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 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A01 compound treatment 0.204 -0.0362 -1.35 0.201 -0.0338 -1.55 -2.0466 -0.9976 1911149 Bionet2_000001 C/C(=N\O)/c1ccc(cc1)n2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A02 compound treatment 0.212 -0.0282 -1.05 0.219 -0.0158 -0.72 -1.2534 -0.9835 1911150 Bionet2_000002 COC/1=CC(=O)O\C1=C/Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A03 compound treatment 0.215 -0.0252 -0.94 0.212 -0.0228 -1.04 -1.4011 -0.9986 1911151 Bionet2_000003 c1cn(cn1)c2ccc(cc2)c3nn[nH]n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A04 compound treatment 0.206 -0.0342 -1.27 0.215 -0.0198 -0.91 -1.5407 -0.9862 1667665 Bionet2_000004 CNc1ncc(s1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A05 compound treatment 0.227 -0.0132 -0.49 0.212 -0.0228 -1.04 -1.0855 -0.9409 1911152 Bionet2_000005 CS(=O)c1ccccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A06 compound treatment 0.218 -0.0222 -0.83 0.206 -0.0288 -1.32 -1.5165 -0.9746 1156703 Bionet2_000006 O=C(Nc1cc2C(=O)CCCc2oc1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A07 compound treatment 0.215 -0.0252 -0.94 0.21 -0.0248 -1.14 -1.4659 -0.9955 1911153 Bionet2_000007 Clc1ccc(N/C=C/2\C(=O)ON=C2c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A08 compound treatment 0.217 -0.0232 -0.86 0.214 -0.0208 -0.95 -1.2838 -0.9988 1911154 Bionet2_000008 FC(F)(F)c1cc(Cl)nc(n1)c2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A09 compound treatment 0.222 -0.0182 -0.68 0.214 -0.0208 -0.95 -1.1523 -0.986 1911155 Bionet2_000009 CN(C)c1nnnn1c2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A10 compound treatment 0.22 -0.0202 -0.75 0.225 -0.0098 -0.45 -0.8487 -0.9696 1365852 Bionet2_000010 CN(C)C(=O)c1cn(c2ccccc2)c(=O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A11 compound treatment 0.214 -0.0262 -0.97 0.219 -0.0158 -0.72 -1.2008 -0.9892 1911156 Bionet2_000011 Fc1ccc(Oc2cnc3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A12 compound treatment 0.236 -0.00421 -0.16 0.199 -0.0358 -1.64 -1.2697 -0.7711 1911157 Bionet2_000012 Oc1ccnn1c2cccc(Cl)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A13 compound treatment 0.223 -0.0172 -0.64 0.206 -0.0288 -1.32 -1.385 -0.9449 1911158 Bionet2_000013 Oc1ncn(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A14 compound treatment 0.214 -0.0262 -0.97 0.226 -0.0088 -0.4 -0.9742 -0.9236 1911159 Bionet2_000014 Cn1nc(c(/C=N/O)c1Sc2ccccc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A15 compound treatment 0.227 -0.0132 -0.49 0.223 -0.0118 -0.54 -0.7294 -0.9989 1412053 Bionet2_000015 O=C1CSCN1c2ccc(Oc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A16 compound treatment 0.199 -0.0412 -1.53 0.199 -0.0358 -1.64 -2.2429 -0.9994 1911160 Bionet2_000016 On1c(nc2ncccc12)c3cccc(c3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A17 compound treatment 0.232 -0.00821 -0.31 0.216 -0.0188 -0.86 -0.8245 -0.9028 1297348 Bionet2_000017 NC(=O)c1cnn2c(ccnc12)c3ccc(Cl)cc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A18 compound treatment 0.231 -0.00921 -0.34 0.206 -0.0288 -1.32 -1.1746 -0.8621 1185511 Bionet2_000018 Clc1cccc(c1)c2nnc3c4ccccc4ncn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A19 compound treatment 0.226 -0.0142 -0.53 0.207 -0.0278 -1.27 -1.2737 -0.9242 1911161 Bionet2_000019 O/N=C\c1coc2ccc(F)cc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A20 compound treatment 0.224 -0.0162 -0.6 0.219 -0.0158 -0.72 -0.9378 -0.9959 1211383 Bionet2_000020 COC(=O)c1cc(cn1C)C(=O)c2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A21 compound treatment 0.219 -0.0212 -0.79 0.232 -0.0028 -0.13 -0.6484 -0.8114 1144178 Bionet2_000021 NC(=C(C#N)C#N)COc1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A22 compound treatment 0.226 -0.0142 -0.53 0.222 -0.0128 -0.59 -0.7881 -0.9987 1911162 Bionet2_000022 CCOC(=O)c1csc(n1)c2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A23 mock treatment 0.208 -0.0322 -1.2 0.2 -0.0348 -1.59 -1.9738 -0.9901 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 A24 mock treatment 0.18 -0.0602 -2.24 0.177 -0.0578 -2.65 -3.4548 -0.9965 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B01 compound treatment 0.232 -0.00821 -0.31 0.238 0.0032 0.15 -0.1122 -0.3315 1368190 Bionet2_000023 Cc1cc(C)n2cc(c(C(=O)O)c2n1)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B02 compound treatment 0.255 0.0148 0.55 0.254 0.0192 0.88 1.0107 0.9745 1319220 Bionet2_000024 CC1SCC(=O)N(C1=O)c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B03 compound treatment 0.261 0.0208 0.77 0.264 0.0292 1.34 1.4923 0.9661 1406235 Bionet2_000025 Cc1ccc(cc1)S(=O)CCOc2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B04 compound treatment 0.26 0.0198 0.74 0.259 0.0242 1.11 1.3041 0.9803 1911163 Bionet2_000026 OC(=O)CC(=O)Oc1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B05 compound treatment 0.26 0.0198 0.74 0.259 0.0242 1.11 1.3041 0.9803 1911164 Bionet2_000027 Cc1onc(c1C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B06 compound treatment 0.255 0.0148 0.55 0.255 0.0202 0.92 1.0431 0.9692 1911165 Bionet2_000028 COC(=O)C1=Cc2cc(Cl)ccc2OC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B07 compound treatment 0.255 0.0148 0.55 0.255 0.0202 0.92 1.0431 0.9692 1911166 Bionet2_000029 Cn1cccc1C(C#N)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B08 compound treatment 0.263 0.0228 0.85 0.264 0.0292 1.34 1.5449 0.9758 1911167 Bionet2_000030 COc1ccc(cc1)C(=O)CS(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B09 compound treatment 0.257 0.0168 0.62 0.256 0.0212 0.97 1.1281 0.9773 1911168 Bionet2_000031 NC(=O)C1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B10 compound treatment 0.256 0.0158 0.59 0.254 0.0192 0.88 1.037 0.9808 1724979 Bionet2_000032 Clc1ccccc1S(=O)(=O)CC(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B11 compound treatment 0.25 0.00979 0.36 0.251 0.0162 0.74 0.7821 0.9464 1458253 Bionet2_000033 CCCCC(=O)Nc1ccc(cc1)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B12 compound treatment 0.249 0.00879 0.33 0.249 0.0142 0.65 0.691 0.9494 1911169 Bionet2_000034 ON=C1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B13 compound treatment 0.265 0.0248 0.92 0.266 0.0312 1.43 1.6622 0.9776 1166529 Bionet2_000035 NC(=O)C1CN(Cc2ccccc2)C(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B14 compound treatment 0.257 0.0168 0.62 0.256 0.0212 0.97 1.1281 0.9773 1220452 Bionet2_000036 OC(=O)c1sccc1OCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B15 compound treatment 0.256 0.0158 0.59 0.254 0.0192 0.88 1.037 0.9808 1911170 Bionet2_000037 Clc1ccccc1C(C#N)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B16 compound treatment 0.262 0.0218 0.81 0.262 0.0272 1.25 1.4538 0.9784 1911171 Bionet2_000038 Cc1ccc(Cc2ccc(O)nn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B17 compound treatment 0.265 0.0248 0.92 0.263 0.0282 1.29 1.5651 0.9864 1911172 Bionet2_000039 FC(F)(F)c1cnc(N2CCC(=C(C#N)C#N)CC2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B18 compound treatment 0.247 0.00679 0.25 0.248 0.0132 0.6 0.606 0.9251 1911173 Bionet2_000040 OC(CS(=O)(=O)c1cccc(c1)C(F)(F)F)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B19 compound treatment 0.247 0.00679 0.25 0.251 0.0162 0.74 0.7032 0.8973 1485959 Bionet2_000041 CCOC(=O)c1cnc2c(F)cc(F)cc2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B20 compound treatment 0.248 0.00779 0.29 0.25 0.0152 0.7 0.6971 0.9246 1911174 Bionet2_000042 Cn1c(CO)cnc1SCC(=O)c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B21 compound treatment 0.253 0.0128 0.48 0.255 0.0202 0.92 0.9905 0.9523 1355918 Bionet2_000043 COc1ccc(cc1OC)c2c[nH]nc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B22 compound treatment 0.251 0.0108 0.4 0.253 0.0182 0.83 0.8731 0.9439 1618086 Bionet2_000044 NC(=O)c1cn(c2ccc(F)cc2)c(=O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B23 mock treatment 0.255 0.0148 0.55 0.255 0.0202 0.92 1.0431 0.9692 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 B24 mock treatment 0.228 -0.0122 -0.45 0.202 -0.0328 -1.5 -1.383 -0.8815 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C01 compound treatment 0.262 0.0218 0.81 0.255 0.0202 0.92 1.2272 0.9978 1911175 Bionet2_000045 c1cc([nH]n1)c2ccc(cc2)n3ccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C02 compound treatment 0.238 -0.00221 -0.08 0.238 0.0032 0.15 0.0456 0.2713 1911176 Bionet2_000046 COC/1=CC(=O)O\C1=C/Nc2ccc(cc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C03 compound treatment 0.249 0.00879 0.33 0.251 0.0162 0.74 0.7558 0.9323 1911177 Bionet2_000047 COc1ccc(N/C=C\2/Sc3ccccc3NC2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C04 compound treatment 0.248 0.00779 0.29 0.247 0.0122 0.56 0.6 0.9533 1911178 Bionet2_000048 CNc1ncc(s1)C(=O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C05 compound treatment 0.24 -2.07E-4 -0.01 0.242 0.0072 0.33 0.2277 0.6904 1911179 Bionet2_000049 [O-][n+]1ccccc1SC/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C06 compound treatment 0.237 -0.00321 -0.12 0.237 0.0022 0.1 -0.0131 -0.084 1911180 Bionet2_000050 FC(F)(F)c1cc(NCc2ccccc2)nc(n1)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C07 compound treatment 0.243 0.00279 0.1 0.244 0.0092 0.42 0.3713 0.8559 1226805 Bionet2_000051 C1CN(CCO1)c2n[nH]cc2c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C08 compound treatment 0.254 0.0138 0.51 0.253 0.0182 0.83 0.952 0.9729 1911181 Bionet2_000052 FC(F)(F)c1cc(c2ccc(Cl)nc2n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C09 compound treatment 0.247 0.00679 0.25 0.246 0.0112 0.51 0.5413 0.9468 1531372 Bionet2_000053 CN(C)c1nnnn1Cc2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C10 compound treatment 0.247 0.00679 0.25 0.243 0.0082 0.38 0.4442 0.9814 1911182 Bionet2_000054 FC(F)(F)c1cccc(c1)C(=O)Oc2cccnc2I 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C11 compound treatment 0.226 -0.0142 -0.53 0.227 -0.0078 -0.36 -0.6262 -0.9818 1911183 Bionet2_000055 FC(F)(F)c1cccc(Sc2cnc3ccccc3n2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C12 compound treatment 0.29 0.0498 1.85 0.281 0.0462 2.12 2.8054 0.9978 1458801 Bionet2_000056 C(Nc1nc2ccccc2n3cnnc13)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C13 compound treatment 0.249 0.00879 0.33 0.25 0.0152 0.7 0.7234 0.9407 1911184 Bionet2_000057 Fc1ccc(cc1)c2ccnc3ncnn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C14 compound treatment 0.242 0.00179 0.07 0.242 0.0072 0.33 0.2803 0.8333 1911185 Bionet2_000058 FC(F)(F)c1cccc(c1)C(=O)Nc2cccn3ncnc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C15 compound treatment 0.27 0.0298 1.11 0.255 0.0202 0.92 1.4376 0.996 1273428 Bionet2_000059 O=C(Cc1nc(=O)c2ccccc2s1)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C16 compound treatment 0.246 0.00579 0.22 0.245 0.0102 0.47 0.4826 0.9383 1150160 Bionet2_000060 C(On1c(nc2ncccc12)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C17 compound treatment 0.251 0.0108 0.4 0.252 0.0172 0.79 0.8407 0.9511 1428094 Bionet2_000061 Oc1cc(O)c2C(CC(=O)Oc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C18 compound treatment 0.246 0.00579 0.22 0.249 0.0142 0.65 0.6121 0.8937 1261287 Bionet2_000062 Cc1ccc(cc1)c2nc3ccc(Cl)cc3n2OCC(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C19 compound treatment 0.233 -0.00721 -0.27 0.235 2.0E-4 0.01 -0.1831 -0.6826 1293084 Bionet2_000063 O=S(=O)(Cc1ccccc1)c2cnc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C20 compound treatment 0.241 7.93E-4 0.03 0.243 0.0082 0.38 0.2863 0.7603 1613984 Bionet2_000064 Cn1cc(cc1C(=O)N)C(=O)c2cccc(Cl)c2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C21 compound treatment 0.24 -2.07E-4 -0.01 0.241 0.0062 0.28 0.1953 0.6877 1911186 Bionet2_000065 Cc1ccc(SC2=CCS(=O)(=O)C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C22 compound treatment 0.243 0.00279 0.1 0.246 0.0112 0.51 0.4361 0.8334 1911187 Bionet2_000066 COC(=O)c1ccc(cc1)c2nc(cs2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C23 mock treatment 0.238 -0.00221 -0.08 0.241 0.0062 0.28 0.1427 0.4829 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 C24 mock treatment 0.225 -0.0152 -0.57 0.208 -0.0268 -1.23 -1.2676 -0.9382 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D01 compound treatment 0.241 7.93E-4 0.03 0.218 -0.0168 -0.77 -0.5231 -0.6795 1911188 Bionet2_000067 CN1OC(CO)CC1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D02 compound treatment 0.249 0.00879 0.33 0.249 0.0142 0.65 0.691 0.9494 1911189 Bionet2_000068 CC1SCC(=O)N(C1=O)c2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D03 compound treatment 0.253 0.0128 0.48 0.253 0.0182 0.83 0.9257 0.9647 1271485 Bionet2_000069 CC(C)(C)c1ccc(CS(=O)(=O)CCOc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D04 compound treatment 0.251 0.0108 0.4 0.25 0.0152 0.7 0.776 0.9658 1047994 Bionet2_000070 OC(=O)CC(=O)Nc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D05 compound treatment 0.253 0.0128 0.48 0.252 0.0172 0.79 0.8933 0.9709 1911190 Bionet2_000071 FC(F)(F)c1cnc(c(Cl)c1)n2cncn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D06 compound treatment 0.245 0.00479 0.18 0.246 0.0112 0.51 0.4887 0.9001 1133831 Bionet2_000072 CC(C)(C#N)N1CCN(CC1)C(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D07 compound treatment 0.253 0.0128 0.48 0.254 0.0192 0.88 0.9581 0.9584 1911191 Bionet2_000073 FC(F)(F)c1cnc(C(C#N)c2cccs2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D08 compound treatment 0.254 0.0138 0.51 0.253 0.0182 0.83 0.952 0.9729 1911192 Bionet2_000074 CS(=O)(=O)CC(=O)c1ccc(Cl)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D09 compound treatment 0.252 0.0118 0.44 0.25 0.0152 0.7 0.8023 0.9752 1911193 Bionet2_000075 Clc1cc(Cl)cc(c1)C(=N)Nc2cccc(C#N)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D10 compound treatment 0.243 0.00279 0.1 0.243 0.0082 0.38 0.3389 0.8701 1911194 Bionet2_000076 Fc1ccc(cc1F)n2nnnc2c3cccc(c3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D11 compound treatment 0.263 0.0228 0.85 0.259 0.0242 1.11 1.383 0.9913 1479303 Bionet2_000077 CC(C)C(=O)Nc1ccc(cc1)N2CCN(CC2)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D12 compound treatment 0.247 0.00679 0.25 0.246 0.0112 0.51 0.5413 0.9468 1911195 Bionet2_000078 CN(C(=O)CSCc1ccc(Cl)cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D13 compound treatment 0.257 0.0168 0.62 0.259 0.0242 1.11 1.2252 0.9632 1911196 Bionet2_000079 COC(=O)c1ccccc1CSC(=N)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D14 compound treatment 0.248 0.00779 0.29 0.25 0.0152 0.7 0.6971 0.9246 1911197 Bionet2_000080 COC(=O)c1c(C)onc1c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D15 compound treatment 0.252 0.0118 0.44 0.25 0.0152 0.7 0.8023 0.9752 1606801 Bionet2_000081 CC(Oc1ccc(Cl)cc1)c2ccc(C#N)c(O)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D16 compound treatment 0.255 0.0148 0.55 0.255 0.0202 0.92 1.0431 0.9692 1911198 Bionet2_000082 Cc1ccc(Cc2ccc(Cl)nn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D17 compound treatment 0.257 0.0168 0.62 0.258 0.0232 1.06 1.1928 0.968 1911199 Bionet2_000083 FC(F)(F)c1cccc(CN2C(=O)CSCC2=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D18 compound treatment 0.255 0.0148 0.55 0.256 0.0212 0.97 1.0755 0.9638 1911200 Bionet2_000084 Cc1cccc(C)c1NC(=O)CBr 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D19 compound treatment 0.233 -0.00721 -0.27 0.234 -8.0E-4 -0.04 -0.2154 -0.7963 1732141 Bionet2_000085 CCOC(=O)c1cnc2ccc(C)cc2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D20 compound treatment 0.252 0.0118 0.44 0.253 0.0182 0.83 0.8994 0.9551 1610109 Bionet2_000086 CC1CN(CC(C)O1)C(=O)CS(=O)(=O)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D21 compound treatment 0.247 0.00679 0.25 0.249 0.0142 0.65 0.6384 0.9152 1911201 Bionet2_000087 COc1ccc2cc(ccc2c1Br)c3nc(N)ncc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D22 compound treatment 0.249 0.00879 0.33 0.252 0.0172 0.79 0.7881 0.9242 1911202 Bionet2_000088 Cc1onc(c1C(=O)N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D23 mock treatment 0.25 0.00979 0.36 0.249 0.0142 0.65 0.7173 0.9625 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 D24 mock treatment 0.244 0.00379 0.14 0.228 -0.0068 -0.31 -0.1204 -0.3522 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E01 compound treatment 0.285 0.0448 1.67 0.276 0.0412 1.89 2.512 0.9981 1911203 Bionet2_000089 O=C(Nc1ccccc1)n2ccc(n2)c3ccc(cc3)n4ccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E02 compound treatment 0.257 0.0168 0.62 0.257 0.0222 1.02 1.1604 0.9727 1911204 Bionet2_000090 Cc1nc(SCc2ccccc2)nc3CCCc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E03 compound treatment 0.278 0.0378 1.41 0.279 0.0442 2.02 2.425 0.9841 1911205 Bionet2_000091 FC(F)(F)c1cccc(N/C=C\2/Sc3ccccc3NC2=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E04 compound treatment 0.276 0.0358 1.33 0.27 0.0352 1.61 2.081 0.9955 1911206 Bionet2_000092 Clc1ccc(cc1)c2cn3ccsc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E05 compound treatment 0.256 0.0158 0.59 0.256 0.0212 0.97 1.1018 0.9711 1911207 Bionet2_000093 Nc1ccccc1SC/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E06 compound treatment 0.245 0.00479 0.18 0.246 0.0112 0.51 0.4887 0.9001 1911208 Bionet2_000094 CCN(CC)c1cc(nc(n1)c2ccccn2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E07 compound treatment 0.255 0.0148 0.55 0.255 0.0202 0.92 1.0431 0.9692 1243114 Bionet2_000095 CN(C)c1n[nH]cc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E08 compound treatment 0.307 0.0668 2.48 0.301 0.0662 3.03 3.9 0.9951 1911209 Bionet2_000096 NNc1ccc2c(cc(nc2n1)C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E09 compound treatment 0.255 0.0148 0.55 0.256 0.0212 0.97 1.0755 0.9638 1911210 Bionet2_000097 Cc1ccc(cc1)N2CCCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E10 compound treatment 0.259 0.0188 0.7 0.26 0.0252 1.15 1.3102 0.9712 1911211 Bionet2_000098 CC(=O)Oc1cccnc1I 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E11 compound treatment 0.238 -0.00221 -0.08 0.235 2.0E-4 0.01 -0.0516 -0.6243 1911212 Bionet2_000099 O(c1ccccc1)c2cnc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E12 compound treatment 0.262 0.0218 0.81 0.259 0.0242 1.11 1.3567 0.9882 1911213 Bionet2_000100 NNc1nc2cc(Cl)ccc2nc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E13 compound treatment 0.273 0.0328 1.22 0.263 0.0282 1.29 1.7755 0.9996 1149357 Bionet2_000101 O(c1ccccc1)c2ccc(cc2)c3ccnc4ncnn34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E14 compound treatment 0.256 0.0158 0.59 0.255 0.0202 0.92 1.0694 0.976 1911214 Bionet2_000102 C/[N+](=C/c1ccccc1)/[O-] 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E15 compound treatment 0.249 0.00879 0.33 0.251 0.0162 0.74 0.7558 0.9323 1911215 Bionet2_000103 O=C(CC#N)Nc1cccnc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E16 compound treatment 0.248 0.00779 0.29 0.248 0.0132 0.6 0.6323 0.9434 1294474 Bionet2_000104 On1c(nc2ncccc12)c3ccc(Cl)cc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E17 compound treatment 0.265 0.0248 0.92 0.262 0.0272 1.25 1.5327 0.9891 1911216 Bionet2_000105 Cc1ccc(SCC(=O)c2ccc(Cl)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E18 compound treatment 0.267 0.0268 1.0 0.269 0.0342 1.57 1.812 0.9762 1911217 Bionet2_000106 O/C=C(\C#N)/c1ccc(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E19 compound treatment 0.236 -0.00421 -0.16 0.233 -0.0018 -0.08 -0.1689 -0.9552 1911218 Bionet2_000107 Cc1ccccc1CSc2cnc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E20 compound treatment 0.258 0.0178 0.66 0.257 0.0222 1.02 1.1867 0.9784 1652251 Bionet2_000108 O=C(Nc1ccccc1)c2csc(n2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E21 compound treatment 0.252 0.0118 0.44 0.254 0.0192 0.88 0.9318 0.9484 1911219 Bionet2_000109 Clc1ccc(cc1)S(=O)(=O)C2=CCS(=O)(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E22 compound treatment 0.251 0.0108 0.4 0.251 0.0162 0.74 0.8084 0.9584 1911220 Bionet2_000110 Nc1[nH]cc(c1C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E23 mock treatment 0.248 0.00779 0.29 0.251 0.0162 0.74 0.7295 0.916 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 E24 mock treatment 0.232 -0.00821 -0.31 0.237 0.0022 0.1 -0.1446 -0.4499 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F01 compound treatment 0.243 0.00279 0.1 0.235 2.0E-4 0.01 0.0799 0.7665 1911221 Bionet2_000111 C/N=C(/Nc1ccc(Cl)cc1)\c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F02 compound treatment 0.256 0.0158 0.59 0.256 0.0212 0.97 1.1018 0.9711 1911222 Bionet2_000112 CC1SCC(=O)N(C1=O)c2ccc(cc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F03 compound treatment 0.259 0.0188 0.7 0.257 0.0222 1.02 1.213 0.9833 1911223 Bionet2_000113 FC(F)(F)c1cnc(N2CCN(CCOCc3ccc(Cl)cc3)CC2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F04 compound treatment 0.257 0.0168 0.62 0.257 0.0222 1.02 1.1604 0.9727 1911224 Bionet2_000114 Cc1cc(C)n(n1)c2ncc(C#N)cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F05 compound treatment 0.261 0.0208 0.77 0.261 0.0262 1.2 1.3951 0.9775 1911225 Bionet2_000115 N#CCc1nn2c(ccnc2c1C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F06 compound treatment 0.254 0.0138 0.51 0.254 0.0192 0.88 0.9844 0.9671 1196043 Bionet2_000116 CC(C)(C#N)N1CCN(CC1)c2ccc(Cl)c(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F07 compound treatment 0.262 0.0218 0.81 0.262 0.0272 1.25 1.4538 0.9784 1911226 Bionet2_000117 Clc1cccc(n1)C(C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F08 compound treatment 0.269 0.0288 1.07 0.266 0.0312 1.43 1.7674 0.9899 1468964 Bionet2_000118 OC(=O)CSCC(=O)Nc1ccc(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F09 compound treatment 0.252 0.0118 0.44 0.252 0.0172 0.79 0.867 0.9618 1911227 Bionet2_000119 Cc1cc(C)cc(c1)C(=N)Nc2cccc(C#N)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F10 compound treatment 0.256 0.0158 0.59 0.258 0.0232 1.06 1.1665 0.961 1344987 Bionet2_000120 COc1ccc(cc1)c2nnnn2c3ccc(F)cc3F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F11 compound treatment 0.257 0.0168 0.62 0.258 0.0232 1.06 1.1928 0.968 1911228 Bionet2_000121 CC(=O)Nc1ccccc1N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F12 compound treatment 0.259 0.0188 0.7 0.26 0.0252 1.15 1.3102 0.9712 1911229 Bionet2_000122 CS(=O)(=O)CC(=O)c1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F13 compound treatment 0.273 0.0328 1.22 0.273 0.0382 1.75 2.0993 0.9845 1911230 Bionet2_000123 Clc1snnc1c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F14 compound treatment 0.258 0.0178 0.66 0.257 0.0222 1.02 1.1867 0.9784 1911231 Bionet2_000124 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)c2ncn[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F15 compound treatment 0.243 0.00279 0.1 0.244 0.0092 0.42 0.3713 0.8559 1911232 Bionet2_000125 Cc1sc(nc1O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F16 compound treatment 0.27 0.0298 1.11 0.269 0.0342 1.57 1.8909 0.9857 1616837 Bionet2_000126 Cc1ccc(Cc2ccc(NN)nn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F17 compound treatment 0.266 0.0258 0.96 0.268 0.0332 1.52 1.7533 0.9754 1698559 Bionet2_000127 Clc1ccc(CN2C(=O)CSCC2=O)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F18 compound treatment 0.258 0.0178 0.66 0.259 0.0242 1.11 1.2515 0.9697 1911233 Bionet2_000128 Fc1ccc(cc1)C2CC(=O)CC(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F19 compound treatment 0.259 0.0188 0.7 0.262 0.0272 1.25 1.3749 0.9627 1911234 Bionet2_000129 CCOC(=O)c1cnc2ccc(cc2c1O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F20 compound treatment 0.258 0.0178 0.66 0.258 0.0232 1.06 1.2191 0.9741 1911235 Bionet2_000130 FC(F)(F)c1cnc(SCC#N)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F21 compound treatment 0.257 0.0168 0.62 0.258 0.0232 1.06 1.1928 0.968 1911236 Bionet2_000131 FC(F)(F)c1cnc(Sc2nc[nH]n2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F22 compound treatment 0.256 0.0158 0.59 0.255 0.0202 0.92 1.0694 0.976 1911237 Bionet2_000132 O=C(CC(C#N)C#N)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F23 mock treatment 0.26 0.0198 0.74 0.259 0.0242 1.11 1.3041 0.9803 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 F24 mock treatment 0.243 0.00279 0.1 0.238 0.0032 0.15 0.1771 0.9858 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G01 compound treatment 0.306 0.0658 2.45 0.295 0.0602 2.76 3.6795 0.9982 1638340 Bionet2_000133 CC(C)(C)NC(=O)n1ccc(n1)c2ccc(cc2)n3ccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G02 compound treatment 0.253 0.0128 0.48 0.252 0.0172 0.79 0.8933 0.9709 1084210 Bionet2_000134 N(c1ncn[nH]1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G03 compound treatment 0.251 0.0108 0.4 0.249 0.0142 0.65 0.7436 0.9732 1911238 Bionet2_000135 Cn1nc(Cl)c(Cl)c1Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G04 compound treatment 0.258 0.0178 0.66 0.259 0.0242 1.11 1.2515 0.9697 1911239 Bionet2_000136 CN(C)/C=C/1\OC(=O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G05 compound treatment 0.247 0.00679 0.25 0.246 0.0112 0.51 0.5413 0.9468 1911240 Bionet2_000137 O/N=C\C(/C=C/c1ccccc1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G06 compound treatment 0.263 0.0228 0.85 0.247 0.0122 0.56 0.9945 0.9795 1911241 Bionet2_000138 FC(F)(F)c1cc(Nc2ccccc2)nc(n1)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G07 compound treatment 0.251 0.0108 0.4 0.252 0.0172 0.79 0.8407 0.9511 1308091 Bionet2_000139 CN(C)c1nc(N)ncc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G08 compound treatment 0.262 0.0218 0.81 0.257 0.0222 1.02 1.2919 0.9937 1911242 Bionet2_000140 Oc1ccc2c(cc(nc2n1)C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G09 compound treatment 0.252 0.0118 0.44 0.252 0.0172 0.79 0.867 0.9618 1911243 Bionet2_000141 COc1ccc(cc1)N2CCCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G10 compound treatment 0.249 0.00879 0.33 0.246 0.0112 0.51 0.5939 0.9764 1555662 Bionet2_000142 Cc1nc(N)oc1C(O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G11 compound treatment 0.241 7.93E-4 0.03 0.245 0.0102 0.47 0.3511 0.7503 1911244 Bionet2_000143 FC(F)(F)c1cccc(c1)S(=O)(=O)c2cnc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G12 compound treatment 0.262 0.0218 0.81 0.262 0.0272 1.25 1.4538 0.9784 1911245 Bionet2_000144 Clc1ccc(CNC2=Nc3ccccc3CS2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G13 compound treatment 0.256 0.0158 0.59 0.256 0.0212 0.97 1.1018 0.9711 1911246 Bionet2_000145 CC(Oc1ccccc1)c2ccnc3ncnn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G14 compound treatment 0.254 0.0138 0.51 0.253 0.0182 0.83 0.952 0.9729 1911247 Bionet2_000146 COc1ccc(/C=[N+](/C)\[O-])cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G15 compound treatment 0.262 0.0218 0.81 0.255 0.0202 0.92 1.2272 0.9978 1911248 Bionet2_000147 N#Cc1cnn2c(ccnc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G16 compound treatment 0.251 0.0108 0.4 0.25 0.0152 0.7 0.776 0.9658 1911249 Bionet2_000148 O/N=C/c1ncc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G17 compound treatment 0.316 0.0758 2.82 0.296 0.0612 2.8 3.9749 1.0 1911250 Bionet2_000149 Cc1ccc(Sc2cnc(N)nc2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G18 compound treatment 0.26 0.0198 0.74 0.26 0.0252 1.15 1.3365 0.9764 1911251 Bionet2_000150 CC(Oc1ccc(Cl)cc1)/C(=N/O)/C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G19 compound treatment 0.247 0.00679 0.25 0.251 0.0162 0.74 0.7032 0.8973 1297322 Bionet2_000151 CCNC(=O)n1nccc1C(C)Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G20 compound treatment 0.257 0.0168 0.62 0.255 0.0202 0.92 1.0957 0.9817 1911252 Bionet2_000152 CNC(=O)c1csc(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G21 compound treatment 0.251 0.0108 0.4 0.253 0.0182 0.83 0.8731 0.9439 1146228 Bionet2_000153 O=C(CC(=O)N1CCc2ccccc12)N3CCc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G22 compound treatment 0.245 0.00479 0.18 0.248 0.0132 0.6 0.5534 0.8783 1911253 Bionet2_000154 FC(F)(F)c1cccc(NC(=O)c2csc(n2)c3ccncc3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G23 mock treatment 0.248 0.00779 0.29 0.249 0.0142 0.65 0.6647 0.9338 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 G24 mock treatment 0.241 7.93E-4 0.03 0.239 0.0042 0.19 0.1568 0.8061 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H01 compound treatment 0.243 0.00279 0.1 0.236 0.0012 0.05 0.1123 0.9557 1911254 Bionet2_000155 CC(C)/N=C(/Nc1ccc(Cl)cc1)\c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H02 compound treatment 0.248 0.00779 0.29 0.252 0.0172 0.79 0.7618 0.9078 1911255 Bionet2_000156 CC1SCC(=O)N(C1=O)c2cccc(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H03 compound treatment 0.249 0.00879 0.33 0.245 0.0102 0.47 0.5615 0.9848 1911256 Bionet2_000157 FC(F)(F)c1cnc(C2C(=O)Nc3ccccc23)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H04 compound treatment 0.252 0.0118 0.44 0.253 0.0182 0.83 0.8994 0.9551 1911257 Bionet2_000158 N#CCOc1ncn(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H05 compound treatment 0.271 0.0308 1.15 0.27 0.0352 1.61 1.9495 0.986 1342520 Bionet2_000159 N#Cc1c(cccc1n2ccnc2)n3ccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H06 compound treatment 0.279 0.0388 1.44 0.271 0.0362 1.66 2.1923 0.9976 1911258 Bionet2_000160 COC(=O)C1=Cc2cc(OC)ccc2OC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H07 compound treatment 0.25 0.00979 0.36 0.259 0.0242 1.11 1.0411 0.8926 1911259 Bionet2_000161 CN(C)/C=C/c1ncc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H08 compound treatment 0.258 0.0178 0.66 0.258 0.0232 1.06 1.2191 0.9741 1911260 Bionet2_000162 Cc1nc(c(s1)C(=O)N)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H09 compound treatment 0.253 0.0128 0.48 0.254 0.0192 0.88 0.9581 0.9584 1596372 Bionet2_000163 CC(C)C(=O)Nc1ccc(cc1)N2CCN(C)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H10 compound treatment 0.251 0.0108 0.4 0.253 0.0182 0.83 0.8731 0.9439 1911261 Bionet2_000164 OC1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H11 compound treatment 0.255 0.0148 0.55 0.254 0.0192 0.88 1.0107 0.9745 1452532 Bionet2_000165 NC(=O)COc1ncn(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H12 compound treatment 0.249 0.00879 0.33 0.25 0.0152 0.7 0.7234 0.9407 1434477 Bionet2_000166 COc1ccc(cc1)N2C(=O)CSC(C2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H13 compound treatment 0.262 0.0218 0.81 0.262 0.0272 1.25 1.4538 0.9784 1911262 Bionet2_000167 CCOC(=O)c1nc(C)n(n1)c2cc(Cl)cc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H14 compound treatment 0.255 0.0148 0.55 0.254 0.0192 0.88 1.0107 0.9745 1911263 Bionet2_000168 OC(=O)CSc1cccc[n+]1[O-] 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H15 compound treatment 0.226 -0.0142 -0.53 0.227 -0.0078 -0.36 -0.6262 -0.9818 1911264 Bionet2_000169 CN(O)/C=C/C(=O)c1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H16 compound treatment 0.254 0.0138 0.51 0.255 0.0202 0.92 1.0168 0.9613 1911265 Bionet2_000170 Clc1ccc(Cc2ccc(Cl)nn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H17 compound treatment 0.262 0.0218 0.81 0.26 0.0252 1.15 1.3891 0.9851 1356653 Bionet2_000171 Clc1ccc(CN2C(=O)CS(=O)(=O)CC2=O)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H18 compound treatment 0.244 0.00379 0.14 0.246 0.0112 0.51 0.4624 0.8693 1911266 Bionet2_000172 Fc1cccc(Cl)c1C2CC(=O)CC(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H19 compound treatment 0.219 -0.0212 -0.79 0.219 -0.0158 -0.72 -1.0693 -0.9991 1005228 Bionet2_000173 CCOC(=O)c1cnc2ccccc2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H20 compound treatment 0.264 0.0238 0.88 0.259 0.0242 1.11 1.4093 0.9938 1602526 Bionet2_000174 COc1ccc(cc1)c2ccc(C#N)c(Cl)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H21 compound treatment 0.263 0.0228 0.85 0.258 0.0232 1.06 1.3506 0.9938 1911267 Bionet2_000175 Cn1cc(cc1/C=N\O)C(=O)c2cccc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H22 compound treatment 0.252 0.0118 0.44 0.252 0.0172 0.79 0.867 0.9618 1018215 Bionet2_000176 Nc1[nH]nc(CC#N)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H23 mock treatment 0.255 0.0148 0.55 0.255 0.0202 0.92 1.0431 0.9692 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 H24 mock treatment 0.231 -0.00921 -0.34 0.241 0.0062 0.28 -0.0414 -0.0931 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I01 compound treatment 0.244 0.00379 0.14 0.236 0.0012 0.05 0.1386 0.9155 1911268 Bionet2_000177 O/N=C/NC(=O)c1ccccc1n2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I02 compound treatment 0.264 0.0238 0.88 0.258 0.0232 1.06 1.3769 0.9959 1911269 Bionet2_000178 Clc1nc(nc(c1C#N)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I03 compound treatment 0.255 0.0148 0.55 0.255 0.0202 0.92 1.0431 0.9692 1009271 Bionet2_000179 N#CN(Cc1ccccc1)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I04 compound treatment 0.254 0.0138 0.51 0.257 0.0222 1.02 1.0815 0.9499 1911270 Bionet2_000180 O=C1O/C(=C\Nc2ccccc2)/c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I05 compound treatment 0.255 0.0148 0.55 0.254 0.0192 0.88 1.0107 0.9745 1911271 Bionet2_000181 CC(C)(C)c1cc[nH]n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I06 compound treatment 0.252 0.0118 0.44 0.251 0.0162 0.74 0.8347 0.9686 1911272 Bionet2_000182 Cn1nc(cc1O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I07 compound treatment 0.259 0.0188 0.7 0.255 0.0202 0.92 1.1483 0.9905 1155652 Bionet2_000183 CN(C)c1nn(cc1c2ccccc2)C(=O)NC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I08 compound treatment 0.265 0.0248 0.92 0.264 0.0292 1.34 1.5975 0.9836 1911273 Bionet2_000184 OC(=O)c1c[nH]c(=O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I09 compound treatment 0.275 0.0348 1.29 0.28 0.0452 2.07 2.3785 0.9744 1911274 Bionet2_000185 Cc1snc(SCc2c(F)cccc2Cl)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I10 compound treatment 0.259 0.0188 0.7 0.257 0.0222 1.02 1.213 0.9833 1425076 Bionet2_000186 Cc1ccc(cc1)C(=O)Oc2cccnc2I 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I11 compound treatment 0.246 0.00579 0.22 0.247 0.0122 0.56 0.5474 0.9142 1911275 Bionet2_000187 COc1ccc(Sc2cnc3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I12 compound treatment 0.245 0.00479 0.18 0.246 0.0112 0.51 0.4887 0.9001 1911276 Bionet2_000188 C(NC1=Nc2ccccc2CS1)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I13 compound treatment 0.254 0.0138 0.51 0.256 0.0212 0.97 1.0491 0.9556 1503995 Bionet2_000189 CC(Oc1ccc(Cl)cc1Cl)c2ccnc3ncnn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I14 compound treatment 0.248 0.00779 0.29 0.245 0.0102 0.47 0.5352 0.9737 1911277 Bionet2_000190 Cn1nc(c(C#N)c1NCc2ccccc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I15 compound treatment 0.252 0.0118 0.44 0.251 0.0162 0.74 0.8347 0.9686 1585357 Bionet2_000191 COc1ccc(cc1)c2ccnc3c(C#N)cnn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I16 compound treatment 0.251 0.0108 0.4 0.251 0.0162 0.74 0.8084 0.9584 1911278 Bionet2_000192 CCOC(=O)CNc1ncc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I17 compound treatment 0.252 0.0118 0.44 0.251 0.0162 0.74 0.8347 0.9686 1911279 Bionet2_000193 Cc1n[nH]cc1Sc2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I18 compound treatment 0.264 0.0238 0.88 0.263 0.0282 1.29 1.5388 0.983 1024030 Bionet2_000194 OCCNC(=O)Cc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I19 compound treatment 0.234 -0.00621 -0.23 0.236 0.0012 0.05 -0.1244 -0.5242 1911280 Bionet2_000195 CC(Oc1cccc(c1)C(F)(F)F)c2ccnc(N)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I20 compound treatment 0.265 0.0248 0.92 0.262 0.0272 1.25 1.5327 0.9891 1911281 Bionet2_000196 CNC(=O)c1sc(nc1C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I21 compound treatment 0.256 0.0158 0.59 0.257 0.0222 1.02 1.1341 0.966 1911282 Bionet2_000197 NC(=C(C#N)C#N)SCc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I22 compound treatment 0.251 0.0108 0.4 0.25 0.0152 0.7 0.776 0.9658 1911283 Bionet2_000198 FC(F)(F)c1ccc(NC(=O)c2csc(n2)c3ccncc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I23 mock treatment 0.258 0.0178 0.66 0.257 0.0222 1.02 1.1867 0.9784 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 I24 mock treatment 0.247 0.00679 0.25 0.239 0.0042 0.19 0.3146 0.9909 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J01 compound treatment 0.24 -2.07E-4 -0.01 0.235 2.0E-4 0.01 0.001 0.0864 1911284 Bionet2_000199 CCC/N=C(/Nc1ccc(Cl)cc1)\c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J02 compound treatment 0.249 0.00879 0.33 0.247 0.0122 0.56 0.6263 0.9675 1911285 Bionet2_000200 C/[N+](=C\C1C(=O)CCCC1=O)/[O-] 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J03 compound treatment 0.325 0.0848 3.15 0.323 0.0882 4.04 5.0857 0.9925 1911286 Bionet2_000201 CCCSc1ccc(cn1)C(=O)Nc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J04 compound treatment 0.248 0.00779 0.29 0.249 0.0142 0.65 0.6647 0.9338 1049975 Bionet2_000202 CC(C)(C#N)N1CCN(CC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J05 compound treatment 0.256 0.0158 0.59 0.255 0.0202 0.92 1.0694 0.976 1911287 Bionet2_000203 CN(C)c1nc(N(C)C)n(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J06 compound treatment 0.263 0.0228 0.85 0.264 0.0292 1.34 1.5449 0.9758 1911288 Bionet2_000204 COc1cccc2C=C(COc12)C(=O)n3cccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J07 compound treatment 0.257 0.0168 0.62 0.256 0.0212 0.97 1.1281 0.9773 1911289 Bionet2_000205 OC(=O)C1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J08 compound treatment 0.254 0.0138 0.51 0.251 0.0162 0.74 0.8873 0.9838 1911290 Bionet2_000206 Cc1nc(c(s1)c2nc[nH]n2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J09 compound treatment 0.251 0.0108 0.4 0.247 0.0122 0.56 0.6789 0.9869 1911291 Bionet2_000207 Oc1cccc(Oc2ncc(cc2Cl)C(F)(F)F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J10 compound treatment 0.252 0.0118 0.44 0.252 0.0172 0.79 0.867 0.9618 1911292 Bionet2_000208 CC(=O)OC1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J11 compound treatment 0.25 0.00979 0.36 0.253 0.0182 0.83 0.8468 0.9311 1911293 Bionet2_000209 ClCCCC(=O)Nc1ccccc1N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J12 compound treatment 0.246 0.00579 0.22 0.246 0.0112 0.51 0.515 0.9258 1607522 Bionet2_000210 O=C1CSC(C(=O)N1c2ccc(C#N)cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J13 compound treatment 0.264 0.0238 0.88 0.266 0.0312 1.43 1.6359 0.9735 1911294 Bionet2_000211 C(Sc1snnc1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J14 compound treatment 0.268 0.0278 1.03 0.266 0.0312 1.43 1.7411 0.9874 1092346 Bionet2_000212 NNc1cccc(Cl)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J15 compound treatment 0.253 0.0128 0.48 0.255 0.0202 0.92 0.9905 0.9523 1911295 Bionet2_000213 C/[N+](=C\C1C(=O)CC(C)(C)CC1=O)/[O-] 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J16 compound treatment 0.256 0.0158 0.59 0.25 0.0152 0.7 0.9075 0.9964 1911296 Bionet2_000214 NC(=O)c1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J17 compound treatment 0.263 0.0228 0.85 0.263 0.0282 1.29 1.5125 0.9792 1679118 Bionet2_000215 CCOC(=O)CC1N(CCNC1=O)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J18 compound treatment 0.249 0.00879 0.33 0.246 0.0112 0.51 0.5939 0.9764 1118739 Bionet2_000216 OC1=C(C2NCCc3ccccc23)C(=O)CC(C1)c4ccc(F)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J19 compound treatment 0.229 -0.0112 -0.42 0.231 -0.0038 -0.17 -0.4178 -0.9249 1058014 Bionet2_000217 CCOC(=O)c1cnc2ccccc2c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J20 compound treatment 0.251 0.0108 0.4 0.25 0.0152 0.7 0.776 0.9658 1125303 Bionet2_000218 CNCC(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J21 compound treatment 0.258 0.0178 0.66 0.258 0.0232 1.06 1.2191 0.9741 1911297 Bionet2_000219 CCOC(=O)C=C1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J22 compound treatment 0.256 0.0158 0.59 0.258 0.0232 1.06 1.1665 0.961 1164147 Bionet2_000220 Cc1nn(C)c(O)c1C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J23 mock treatment 0.25 0.00979 0.36 0.249 0.0142 0.65 0.7173 0.9625 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 J24 mock treatment 0.242 0.00179 0.07 0.227 -0.0078 -0.36 -0.2054 -0.5653 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K01 compound treatment 0.257 0.0168 0.62 0.25 0.0152 0.7 0.9338 0.9985 1911298 Bionet2_000221 COC(=O)c1ccc(cc1)n2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K02 compound treatment 0.248 0.00779 0.29 0.248 0.0132 0.6 0.6323 0.9434 1537467 Bionet2_000222 CCOC(=O)c1c(C)nc2c(C)cccn12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K03 compound treatment 0.258 0.0178 0.66 0.257 0.0222 1.02 1.1867 0.9784 1911299 Bionet2_000223 Clc1ccccc1CN(Cc2ccccc2Cl)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K04 compound treatment 0.249 0.00879 0.33 0.25 0.0152 0.7 0.7234 0.9407 1911300 Bionet2_000224 FC(F)(F)Oc1ccc(N/C=C/2\OC(=O)c3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K05 compound treatment 0.255 0.0148 0.55 0.253 0.0182 0.83 0.9783 0.9797 1911301 Bionet2_000225 Cc1ccc(N/C=C(/C#N)\c2ccsc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K06 compound treatment 0.254 0.0138 0.51 0.256 0.0212 0.97 1.0491 0.9556 1531937 Bionet2_000226 OCC1(CO)CCc2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K07 compound treatment 0.251 0.0108 0.4 0.252 0.0172 0.79 0.8407 0.9511 1137410 Bionet2_000227 CNc1c2CCCCc2nn1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K08 compound treatment 0.257 0.0168 0.62 0.255 0.0202 0.92 1.0957 0.9817 1460414 Bionet2_000228 CN(C)C(=O)c1cnc(Cl)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K09 compound treatment 0.41 0.17 6.32 0.377 0.142 6.51 9.0696 0.9999 1571171 Bionet2_000229 CN(C)c1sc(cc1c2ccccc2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K10 compound treatment 0.254 0.0138 0.51 0.255 0.0202 0.92 1.0168 0.9613 1638969 Bionet2_000230 NC(=O)C1CCN(CC1)c2ncccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K11 compound treatment 0.253 0.0128 0.48 0.254 0.0192 0.88 0.9581 0.9584 1911302 Bionet2_000231 COc1ccc(Oc2cnc3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K12 compound treatment 0.269 0.0288 1.07 0.268 0.0332 1.52 1.8322 0.9853 1669821 Bionet2_000232 COc1cccc(NC(=O)c2ccc(nc2)n3cccn3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K13 compound treatment 0.251 0.0108 0.4 0.256 0.0212 0.97 0.9702 0.9237 1911303 Bionet2_000233 Cc1nn(C)c(C)c1Cc2ccc(O)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K14 compound treatment 0.249 0.00879 0.33 0.249 0.0142 0.65 0.691 0.9494 1709434 Bionet2_000234 CCOC(=O)CNc1ccccc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K15 compound treatment 0.259 0.0188 0.7 0.259 0.0242 1.11 1.2778 0.9753 1447339 Bionet2_000235 Nc1c(cnc2c(C#N)cnn12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K16 compound treatment 0.256 0.0158 0.59 0.254 0.0192 0.88 1.037 0.9808 1911304 Bionet2_000236 NC(=O)CNc1ncc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K17 compound treatment 0.266 0.0258 0.96 0.263 0.0282 1.29 1.5914 0.9893 1911305 Bionet2_000237 Cc1ccc2occ(/C=N/O)c(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K18 compound treatment 0.259 0.0188 0.7 0.254 0.0192 0.88 1.1159 0.9936 1911306 Bionet2_000238 Cc1cc(C)n(CCOc2ncc(cc2Cl)C(F)(F)F)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K19 compound treatment 0.256 0.0158 0.59 0.255 0.0202 0.92 1.0694 0.976 1911307 Bionet2_000239 CC(Oc1ccccc1)c2ccn[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K20 compound treatment 0.258 0.0178 0.66 0.258 0.0232 1.06 1.2191 0.9741 1911308 Bionet2_000240 Clc1cccc(OCc2ncn(n2)c3cccc(Cl)n3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K21 compound treatment 0.237 -0.00321 -0.12 0.239 0.0042 0.19 0.0516 0.2282 1911309 Bionet2_000241 O=C1OCC(=C1C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K22 compound treatment 0.248 0.00779 0.29 0.249 0.0142 0.65 0.6647 0.9338 1335081 Bionet2_000242 CCOC(=O)c1cc([nH]c1N2CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K23 mock treatment 0.256 0.0158 0.59 0.257 0.0222 1.02 1.1341 0.966 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 K24 mock treatment 0.239 -0.00121 -0.04 0.23 -0.0048 -0.22 -0.1871 -0.8343 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L01 compound treatment 0.245 0.00479 0.18 0.24 0.0052 0.24 0.2944 0.9898 1911310 Bionet2_000243 CC/N=C(/Nc1ccc(Cl)cc1)\c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L02 compound treatment 0.261 0.0208 0.77 0.26 0.0252 1.15 1.3628 0.9811 1911311 Bionet2_000244 OC(=O)CC(=O)Nc1ccc(OC(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L03 compound treatment 0.252 0.0118 0.44 0.252 0.0172 0.79 0.867 0.9618 1506643 Bionet2_000245 CCCS(=O)(=O)c1ccc(cn1)C(=O)Nc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L04 compound treatment 0.259 0.0188 0.7 0.26 0.0252 1.15 1.3102 0.9712 1495251 Bionet2_000246 COc1cccc2C=C(COc12)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L05 compound treatment 0.255 0.0148 0.55 0.257 0.0222 1.02 1.1078 0.9585 1911312 Bionet2_000247 NC(=O)C(c1ccccc1)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L06 compound treatment 0.275 0.0348 1.29 0.279 0.0442 2.02 2.3461 0.9767 1911313 Bionet2_000248 COc1ccc2OCC(=Cc2c1)C(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L07 compound treatment 0.251 0.0108 0.4 0.251 0.0162 0.74 0.8084 0.9584 1064931 Bionet2_000249 NOCc1cccc(c1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L08 compound treatment 0.278 0.0378 1.41 0.276 0.0412 1.89 2.3279 0.9895 1911314 Bionet2_000250 Clc1ccc(Oc2cnns2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L09 compound treatment 0.257 0.0168 0.62 0.257 0.0222 1.02 1.1604 0.9727 1212257 Bionet2_000251 Nc1ccc(Sc2ccccc2Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L10 compound treatment 0.256 0.0158 0.59 0.253 0.0182 0.83 1.0046 0.9854 1911315 Bionet2_000252 COC(=O)C(/N=C/c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L11 compound treatment 0.251 0.0108 0.4 0.251 0.0162 0.74 0.8084 0.9584 1911316 Bionet2_000253 FC(F)(F)c1cccc(c1)C(C#N)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L12 compound treatment 0.254 0.0138 0.51 0.254 0.0192 0.88 0.9844 0.9671 1911317 Bionet2_000254 COc1cc(/C=[N+](/C)\[O-])ccc1OCc2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L13 compound treatment 0.265 0.0248 0.92 0.264 0.0292 1.34 1.5975 0.9836 1911318 Bionet2_000255 Clc1ccc(cc1)c2nnsc2SCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L14 compound treatment 0.269 0.0288 1.07 0.272 0.0372 1.7 1.9617 0.975 1911319 Bionet2_000256 Cc1[nH]c2ccccc2c1c3ccc(Cl)nn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L15 compound treatment 0.251 0.0108 0.4 0.254 0.0192 0.88 0.9055 0.9369 1911320 Bionet2_000257 O=C1CSCC(=O)N1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L16 compound treatment 0.259 0.0188 0.7 0.258 0.0232 1.06 1.2454 0.9794 1703307 Bionet2_000258 NC(=O)c1cc(c[nH]1)C(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L17 compound treatment 0.261 0.0208 0.77 0.261 0.0262 1.2 1.3951 0.9775 1911321 Bionet2_000259 CCOC(=O)c1sc(C)nc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L18 compound treatment 0.258 0.0178 0.66 0.256 0.0212 0.97 1.1544 0.9826 1911322 Bionet2_000260 Clc1ccc(cc1)c2ccc(C#N)c(Cl)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L19 compound treatment 0.258 0.0178 0.66 0.257 0.0222 1.02 1.1867 0.9784 1222934 Bionet2_000261 CCOC(=O)c1cnc2cc(Cl)cc(Cl)c2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L20 compound treatment 0.263 0.0228 0.85 0.264 0.0292 1.34 1.5449 0.9758 1911323 Bionet2_000262 Nc1c(Cl)cc(c[n+]1[O-])C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L21 compound treatment 0.249 0.00879 0.33 0.25 0.0152 0.7 0.7234 0.9407 1443080 Bionet2_000263 Clc1ccc(cc1Cl)N2C(=O)CS(=O)(=O)CC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L22 compound treatment 0.257 0.0168 0.62 0.255 0.0202 0.92 1.0957 0.9817 1911324 Bionet2_000264 COc1cnc(nc1O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L23 mock treatment 0.254 0.0138 0.51 0.25 0.0152 0.7 0.8549 0.9887 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 L24 mock treatment 0.233 -0.00721 -0.27 0.225 -0.0098 -0.45 -0.5068 -0.9697 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M01 compound treatment 0.224 -0.0162 -0.6 0.22 -0.0148 -0.68 -0.9054 -0.9983 1685922 Bionet2_000265 O=C(CC1OC(=O)c2ccccc12)c3ccc(cc3)n4ccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M02 compound treatment 0.254 0.0138 0.51 0.257 0.0222 1.02 1.0815 0.9499 1565484 Bionet2_000266 Cc1nc2cc(C)ccn2c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M03 compound treatment 0.259 0.0188 0.7 0.257 0.0222 1.02 1.213 0.9833 1911325 Bionet2_000267 COc1cc(Br)cc(/C=N\c2ccccc2)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M04 compound treatment 0.257 0.0168 0.62 0.256 0.0212 0.97 1.1281 0.9773 1911326 Bionet2_000268 Oc1cc(nc(n1)c2ccccn2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M05 compound treatment 0.35 0.11 4.08 0.344 0.109 5.0 6.4232 0.995 1911327 Bionet2_000269 CSc1cccc(N/C=C(/C#N)\c2ccsc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M06 compound treatment 0.268 0.0278 1.03 0.269 0.0342 1.57 1.8383 0.9797 1911328 Bionet2_000270 CN(C)CCCNc1nnc(Cc2ccccc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M07 compound treatment 0.346 0.106 3.93 0.308 0.0732 3.35 5.1524 0.9968 1911329 Bionet2_000271 Clc1ccc(N/C=C(\C#N)/c2ccc(Cl)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M08 compound treatment 0.257 0.0168 0.62 0.259 0.0242 1.11 1.2252 0.9632 1622885 Bionet2_000272 COC(=O)c1cn(c2ccccc2)c(=O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M09 compound treatment 0.254 0.0138 0.51 0.252 0.0172 0.79 0.9196 0.9784 1911330 Bionet2_000273 CS/C(=N/C=[N+](C)C)/Nc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M10 compound treatment 0.256 0.0158 0.59 0.255 0.0202 0.92 1.0694 0.976 1441352 Bionet2_000274 CC1=C(CC(=O)c2ccccc2)C(=O)c3ccccc3C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M11 compound treatment 0.243 0.00279 0.1 0.241 0.0062 0.28 0.2742 0.907 1483376 Bionet2_000275 Cc1ccc(Oc2cnc3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M12 compound treatment 0.264 0.0238 0.88 0.263 0.0282 1.29 1.5388 0.983 1396774 Bionet2_000276 COc1ccccc1NC(=O)c2ccc(nc2)n3cccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M13 compound treatment 0.248 0.00779 0.29 0.248 0.0132 0.6 0.6323 0.9434 1911331 Bionet2_000277 FC(F)(F)c1ccc(cc1)N2CSCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M14 compound treatment 0.261 0.0208 0.77 0.262 0.0272 1.25 1.4275 0.9737 1192842 Bionet2_000278 CCOC(=O)c1[nH]c2ccccc2c1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M15 compound treatment 0.251 0.0108 0.4 0.25 0.0152 0.7 0.776 0.9658 1911332 Bionet2_000279 Clc1ccc(c(Cl)c1)c2ccnc3c(C#N)cnn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M16 compound treatment 0.291 0.0508 1.89 0.254 0.0192 0.88 1.9575 0.9394 1911333 Bionet2_000280 Cc1ccc(/C=C/C(=O)Cc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M17 compound treatment 0.3 0.0598 2.22 0.282 0.0472 2.16 3.1008 0.9999 1911334 Bionet2_000281 Fc1ccc(/C=C/c2onc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M18 compound treatment 0.261 0.0208 0.77 0.262 0.0272 1.25 1.4275 0.9737 1911335 Bionet2_000282 FC(F)(F)c1cc(n2nc(CC#N)c(C#N)c2n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M19 compound treatment 0.251 0.0108 0.4 0.254 0.0192 0.88 0.9055 0.9369 1134757 Bionet2_000283 CC(Oc1ccccc1)c2ccnn2C(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M20 compound treatment 0.256 0.0158 0.59 0.256 0.0212 0.97 1.1018 0.9711 1911336 Bionet2_000284 CC(c1cc[nH]n1)n2cncn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M21 compound treatment 0.25 0.00979 0.36 0.249 0.0142 0.65 0.7173 0.9625 1911337 Bionet2_000285 O=c1ccn(cc1)c2ccc(cc2)c3ccn[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M22 compound treatment 0.251 0.0108 0.4 0.248 0.0132 0.6 0.7112 0.9802 1616173 Bionet2_000286 CCOC(=O)c1c(N)[nH]cc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M23 mock treatment 0.255 0.0148 0.55 0.254 0.0192 0.88 1.0107 0.9745 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 M24 mock treatment 0.223 -0.0172 -0.64 0.206 -0.0288 -1.32 -1.385 -0.9449 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N01 compound treatment 0.235 -0.00521 -0.19 0.23 -0.0048 -0.22 -0.2924 -0.998 1911338 Bionet2_000287 C/N=C(/Nc1cccc(c1)C(F)(F)F)\c2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N02 compound treatment 0.251 0.0108 0.4 0.251 0.0162 0.74 0.8084 0.9584 1911339 Bionet2_000288 OC(=O)CC(=O)Oc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N03 compound treatment 0.256 0.0158 0.59 0.255 0.0202 0.92 1.0694 0.976 1911340 Bionet2_000289 CC(=O)Nc1ccc(Sc2ccc(F)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N04 compound treatment 0.265 0.0248 0.92 0.26 0.0252 1.15 1.468 0.9938 1164832 Bionet2_000290 COc1ccc2OCC(=Cc2c1)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N05 compound treatment 0.255 0.0148 0.55 0.253 0.0182 0.83 0.9783 0.9797 1911341 Bionet2_000291 FC(F)(F)c1cnc(C(C#N)c2ccc(Cl)cc2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N06 compound treatment 0.25 0.00979 0.36 0.25 0.0152 0.7 0.7497 0.9544 1318337 Bionet2_000292 COC(=O)c1sccc1OCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N07 compound treatment 0.252 0.0118 0.44 0.252 0.0172 0.79 0.867 0.9618 1911342 Bionet2_000293 NOCc1ccccc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N08 compound treatment 0.245 0.00479 0.18 0.243 0.0082 0.38 0.3915 0.9421 1911343 Bionet2_000294 Cc1cc(C)nc(OC(=O)c2ccc(Cl)cc2Cl)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N09 compound treatment 0.254 0.0138 0.51 0.254 0.0192 0.88 0.9844 0.9671 1911344 Bionet2_000295 Clc1ccc(cc1)c2nn[nH]n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N10 compound treatment 0.243 0.00279 0.1 0.25 0.0152 0.7 0.5656 0.8038 1911345 Bionet2_000296 Fc1ccc(SCC(=O)NCC=C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N11 compound treatment 0.251 0.0108 0.4 0.253 0.0182 0.83 0.8731 0.9439 1778227 Bionet2_000297 N#CC(/C=C/c1ccccc1)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N12 compound treatment 0.25 0.00979 0.36 0.252 0.0172 0.79 0.8144 0.9386 1911346 Bionet2_000298 COc1cccc(/C=[N+](/C)\[O-])c1OCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N13 compound treatment 0.255 0.0148 0.55 0.259 0.0242 1.11 1.1726 0.9478 1911347 Bionet2_000299 Clc1ccc(cc1)C(C#N)C(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N14 compound treatment 0.253 0.0128 0.48 0.252 0.0172 0.79 0.8933 0.9709 1911348 Bionet2_000300 Oc1ccc(Cc2ccccc2Br)nn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N15 compound treatment 0.25 0.00979 0.36 0.25 0.0152 0.7 0.7497 0.9544 1911349 Bionet2_000301 Cc1ccccc1N2C(=O)CSCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N16 compound treatment 0.285 0.0448 1.67 0.288 0.0532 2.44 2.9005 0.9828 1911350 Bionet2_000302 Nc1ccccc1Sc2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N17 compound treatment 0.273 0.0328 1.22 0.267 0.0322 1.47 1.905 0.9956 1911351 Bionet2_000303 CN(C)/C=C/c1nc(c(C#N)s1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N18 compound treatment 0.246 0.00579 0.22 0.248 0.0132 0.6 0.5797 0.9035 1911352 Bionet2_000304 FC(F)(F)c1cccc(c1)c2ccc(C#N)c(Cl)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N19 compound treatment 0.259 0.0188 0.7 0.257 0.0222 1.02 1.213 0.9833 1617155 Bionet2_000305 Oc1ccc(O)c(c1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N20 compound treatment 0.253 0.0128 0.48 0.254 0.0192 0.88 0.9581 0.9584 1082244 Bionet2_000306 N#CC(N1CCOCC1)c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N21 compound treatment 0.252 0.0118 0.44 0.254 0.0192 0.88 0.9318 0.9484 1911353 Bionet2_000307 CC1SCC(=O)N(C1=O)c2ccc(F)cc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N22 compound treatment 0.25 0.00979 0.36 0.264 0.0292 1.34 1.203 0.8681 1911354 Bionet2_000308 OC(=O)c1cnc(nc1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N23 mock treatment 0.254 0.0138 0.51 0.251 0.0162 0.74 0.8873 0.9838 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 N24 mock treatment 0.208 -0.0322 -1.2 0.202 -0.0328 -1.5 -1.909 -0.9937 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O01 compound treatment 0.218 -0.0222 -0.83 0.21 -0.0248 -1.14 -1.387 -0.9878 1911355 Bionet2_000309 NC(=O)c1ccc(cc1)n2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O02 compound treatment 0.249 0.00879 0.33 0.232 -0.0028 -0.13 0.1406 0.4003 1377035 Bionet2_000310 O=C(c1cnc(Nc2ccccc2)s1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O03 compound treatment 0.244 0.00379 0.14 0.241 0.0062 0.28 0.3005 0.9479 1490357 Bionet2_000311 C(N(Cc1ccccc1)c2nnn[nH]2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O04 compound treatment 0.251 0.0108 0.4 0.242 0.0072 0.33 0.517 0.9952 1911356 Bionet2_000312 FC(F)(F)c1cc(Sc2ccccc2)nc(n1)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O05 compound treatment 0.255 0.0148 0.55 0.25 0.0152 0.7 0.8812 0.9932 1911357 Bionet2_000313 O=C(CSc1ccccc1)CSc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O06 compound treatment 0.26 0.0198 0.74 0.245 0.0102 0.47 0.8508 0.9759 1911358 Bionet2_000314 CSc1nc2ccsc2c(=O)n1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O07 compound treatment 0.246 0.00579 0.22 0.244 0.0092 0.42 0.4502 0.9515 1069245 Bionet2_000315 CN(C)c1nnnn1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O08 compound treatment 0.258 0.0178 0.66 0.254 0.0192 0.88 1.0896 0.9902 1678531 Bionet2_000316 CNC(=O)c1cn(c2ccccc2)c(=O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O09 compound treatment 0.256 0.0158 0.59 0.252 0.0172 0.79 0.9722 0.9896 1911359 Bionet2_000317 CNC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O10 compound treatment 0.244 0.00379 0.14 0.242 0.0072 0.33 0.3329 0.9283 1449361 Bionet2_000318 Cc1nn(c(N)c1c2ccc(Cl)cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O11 compound treatment 0.243 0.00279 0.1 0.241 0.0062 0.28 0.2742 0.907 1227594 Bionet2_000319 CC(=O)Nc1ccc(Oc2cnc3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O12 compound treatment 0.26 0.0198 0.74 0.256 0.0212 0.97 1.207 0.9907 1214945 Bionet2_000320 Clc1ccc(CNC(=O)c2ccc(nc2)n3cccn3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O13 compound treatment 0.251 0.0108 0.4 0.249 0.0142 0.65 0.7436 0.9732 1911360 Bionet2_000321 Cc1ccc(cc1)N2CSCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O14 compound treatment 0.262 0.0218 0.81 0.27 0.0352 1.61 1.7128 0.9494 1911361 Bionet2_000322 Clc1ccc(NC(=O)OCc2cn(nn2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O15 compound treatment 0.252 0.0118 0.44 0.249 0.0142 0.65 0.7699 0.9816 1507260 Bionet2_000323 CC(Oc1ccc(Cl)cc1)c2ccnc3c(C#N)cnn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O16 compound treatment 0.269 0.0288 1.07 0.264 0.0292 1.34 1.7027 0.994 1911362 Bionet2_000324 On1c(nc2ccc(Cl)cc12)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O17 compound treatment 0.351 0.111 4.12 0.318 0.0832 3.81 5.6077 0.9992 1911363 Bionet2_000325 COc1ccc(/C=C/c2onc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O18 compound treatment 0.259 0.0188 0.7 0.256 0.0212 0.97 1.1807 0.987 1020435 Bionet2_000326 Cc1cc(C)n2nc(CC#N)c(C#N)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O19 compound treatment 0.251 0.0108 0.4 0.251 0.0162 0.74 0.8084 0.9584 1911364 Bionet2_000327 O/N=C/c1c(Cl)nc2sccn12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O20 compound treatment 0.253 0.0128 0.48 0.244 0.0092 0.42 0.6343 0.9982 1911365 Bionet2_000328 CCOC(=O)c1csc(n1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O21 compound treatment 0.251 0.0108 0.4 0.251 0.0162 0.74 0.8084 0.9584 1911366 Bionet2_000329 Clc1nc2sccn2c1/C=N/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O22 compound treatment 0.254 0.0138 0.51 0.253 0.0182 0.83 0.952 0.9729 1177958 Bionet2_000330 NC(=O)c1cnn(c1)C2CCS(=O)(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O23 mock treatment 0.247 0.00679 0.25 0.244 0.0092 0.42 0.4765 0.9701 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 O24 mock treatment 0.186 -0.0542 -2.02 0.203 -0.0318 -1.46 -2.4553 -0.9872 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P01 compound treatment 0.179 -0.0612 -2.28 0.183 -0.0518 -2.37 -3.2869 -0.9998 1911367 Bionet2_000331 CCNc1nc(O)cc(n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P02 compound treatment 0.206 -0.0342 -1.27 0.21 -0.0248 -1.14 -1.7026 -0.9984 1911368 Bionet2_000332 CN(C)/C=C/S(=O)(=O)c1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P03 compound treatment 0.23 -0.0102 -0.38 0.23 -0.0048 -0.22 -0.4239 -0.9662 1911369 Bionet2_000333 CC(C)C(=O)Nc1ccc(Sc2ccc(F)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P04 compound treatment 0.222 -0.0182 -0.68 0.217 -0.0178 -0.82 -1.0552 -0.9958 1911370 Bionet2_000334 Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P05 compound treatment 0.204 -0.0362 -1.35 0.202 -0.0328 -1.5 -2.0142 -0.9985 1911371 Bionet2_000335 ONC(=O)Cc1ncc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P06 compound treatment 0.215 -0.0252 -0.94 0.23 -0.0048 -0.22 -0.8184 -0.8498 1911372 Bionet2_000336 COC(=O)c1sccc1OCc2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P07 compound treatment 0.223 -0.0172 -0.64 0.215 -0.0198 -0.91 -1.0936 -0.9855 1911373 Bionet2_000337 COC(=O)C1CCN(CC1)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P08 compound treatment 0.242 0.00179 0.07 0.252 0.0172 0.79 0.604 0.7643 1911374 Bionet2_000338 O=C1O/C(=C\C=C\c2ccccc2)/c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P09 compound treatment 0.212 -0.0282 -1.05 0.213 -0.0218 -1.0 -1.4477 -0.9997 1911375 Bionet2_000339 Cn1nc(c(C#N)c1N2CCN(CC2)c3ccccc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P10 compound treatment 0.217 -0.0232 -0.86 0.219 -0.0158 -0.72 -1.1219 -0.9961 1911376 Bionet2_000340 CC(C)N(C(C)C)C(=O)CSc1ccc(Cl)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P11 compound treatment 0.201 -0.0392 -1.46 0.207 -0.0278 -1.27 -1.9312 -0.9977 1911377 Bionet2_000341 [O-][n+]1ccccc1SCC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P12 compound treatment 0.209 -0.0312 -1.16 0.2 -0.0348 -1.59 -1.9475 -0.9879 1911378 Bionet2_000342 FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P13 compound treatment 0.204 -0.0362 -1.35 0.211 -0.0238 -1.09 -1.7228 -0.9945 1581579 Bionet2_000343 Nc1c(cnn1C2CCS(=O)(=O)C2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P14 compound treatment 0.204 -0.0362 -1.35 0.206 -0.0288 -1.32 -1.8847 -0.9999 1911379 Bionet2_000344 Cc1ccc(cc1)C(C#N)c2ccc(Cl)nn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P15 compound treatment 0.202 -0.0382 -1.42 0.207 -0.0278 -1.27 -1.9049 -0.9985 1911380 Bionet2_000345 FC(F)(F)c1cc(Cl)ccc1N2C(=O)CSCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P16 compound treatment 0.208 -0.0322 -1.2 0.206 -0.0288 -1.32 -1.7795 -0.9989 1911381 Bionet2_000346 CN(C)c1nnc2c(Cl)cc(cn12)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P17 compound treatment 0.214 -0.0262 -0.97 0.212 -0.0228 -1.04 -1.4274 -0.9994 1110547 Bionet2_000347 CC(=O)Oc1cc(C)c(OC(=O)C)c(C)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P18 compound treatment 0.206 -0.0342 -1.27 0.199 -0.0358 -1.64 -2.0587 -0.9922 1135495 Bionet2_000348 COc1ccc(cc1)c2ccc(C#N)c(=O)[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P19 compound treatment 0.212 -0.0282 -1.05 0.201 -0.0338 -1.55 -1.8362 -0.9821 1911382 Bionet2_000349 CC(C(=O)N)n1cncn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P20 compound treatment 0.211 -0.0292 -1.09 0.19 -0.0448 -2.05 -2.2186 -0.9558 1399627 Bionet2_000350 OC(=O)c1cn(c2ccc(F)cc2)c(=O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P21 compound treatment 0.217 -0.0232 -0.86 0.187 -0.0478 -2.19 -2.158 -0.9172 1911383 Bionet2_000351 CC1SCC(=O)N(C1=O)c2cc(Cl)ccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P22 compound treatment 0.2 -0.0402 -1.5 0.203 -0.0318 -1.46 -2.087 -0.9999 1911384 Bionet2_000352 Cn1nc(c(C(=O)Nc2ccc(F)cc2F)c1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P23 mock treatment 0.185 -0.0552 -2.05 0.175 -0.0598 -2.74 -3.3881 -0.9899 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1364 P24 mock treatment 0.194 -0.0462 -1.72 0.198 -0.0368 -1.68 -2.4067 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A01 compound treatment 0.189 -0.0455 -1.69 0.171 -0.0706 -3.23 -3.483 -0.9543 1911385 Bionet2_000353 CCCn1c(=O)sc2ccccc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A02 compound treatment 0.186 -0.0485 -1.8 0.209 -0.0326 -1.49 -2.3316 -0.9957 1911386 Bionet2_000354 Clc1ncc(/C=N/Cc2ccccc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A03 compound treatment 0.211 -0.0235 -0.87 0.23 -0.0116 -0.53 -0.9941 -0.972 1613660 Bionet2_000355 COc1ccc(cc1)C(=O)C2CC2c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A04 compound treatment 0.211 -0.0235 -0.87 0.221 -0.0206 -0.95 -1.2855 -0.9992 1008010 Bionet2_000356 COC(C(=O)O)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A05 compound treatment 0.209 -0.0255 -0.95 0.224 -0.0176 -0.81 -1.241 -0.9969 1600295 Bionet2_000357 OCC(NC(=O)c1ccc(Cl)cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A06 compound treatment 0.2 -0.0345 -1.28 0.197 -0.0446 -2.04 -2.3519 -0.9747 1911387 Bionet2_000358 Cc1nn(C)c(Sc2ccc(Cl)cc2)c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A07 compound treatment 0.211 -0.0235 -0.87 0.222 -0.0196 -0.9 -1.2532 -0.9999 1911388 Bionet2_000359 FC(F)(F)c1ccccc1/C=N/c2sccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A08 compound treatment 0.211 -0.0235 -0.87 0.222 -0.0196 -0.9 -1.2532 -0.9999 1401675 Bionet2_000360 O=S(=O)(NCc1ccco1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A09 compound treatment 0.212 -0.0225 -0.84 0.208 -0.0336 -1.54 -1.6801 -0.9587 1413504 Bionet2_000361 Cc1ccc(cc1)S(=O)c2snnc2c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A10 compound treatment 0.225 -0.00947 -0.35 0.234 -0.00764 -0.35 -0.4964 -1.0 1911389 Bionet2_000362 CCC(C)COc1ccc(O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A11 compound treatment 0.222 -0.0125 -0.46 0.236 -0.00564 -0.26 -0.5106 -0.9619 1911390 Bionet2_000363 Cc1ccc(cc1)C(=O)/C=C/C(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A12 compound treatment 0.233 -0.00147 -0.05 0.246 0.00436 0.2 0.1025 0.4956 1119342 Bionet2_000364 COc1ccc(Oc2ccc(C#N)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A13 compound treatment 0.219 -0.0155 -0.58 0.232 -0.00964 -0.44 -0.719 -0.9915 1911391 Bionet2_000365 CC(C)(C)OC(=O)N(Cc1ccccc1)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A14 compound treatment 0.254 0.0195 0.73 0.256 0.0144 0.66 0.9786 0.9988 1270317 Bionet2_000366 NC(=O)COc1ccc2c(C#N)c3ccccn3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A15 compound treatment 0.224 -0.0105 -0.39 0.232 -0.00964 -0.44 -0.5875 -0.998 1410795 Bionet2_000367 Clc1ncc(CN2CCOCC2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A16 compound treatment 0.23 -0.00447 -0.17 0.233 -0.00864 -0.4 -0.3973 -0.9257 1713360 Bionet2_000368 COc1ccc(cc1)n2ccc(O)c(Cc3ccc(Cl)cc3)c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A17 compound treatment 0.216 -0.0185 -0.69 0.213 -0.0286 -1.31 -1.413 -0.9545 1911392 Bionet2_000369 O=C(OCc1cncs1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A18 compound treatment 0.213 -0.0215 -0.8 0.235 -0.00664 -0.3 -0.7797 -0.9125 1911393 Bionet2_000370 CNc1cc(Cl)nc(SC)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A19 compound treatment 0.229 -0.00547 -0.2 0.226 -0.0156 -0.72 -0.6502 -0.8733 1911394 Bionet2_000371 CNC(=O)CSc1nc[nH]n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A20 compound treatment 0.234 -4.67E-4 -0.02 0.233 -0.00864 -0.4 -0.2921 -0.7374 1911395 Bionet2_000372 NC(=N)SCc1ccc(cc1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A21 compound treatment 0.234 -4.67E-4 -0.02 0.211 -0.0306 -1.4 -1.0044 -0.7158 1911396 Bionet2_000373 CSc1ncc(CO)n1Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A22 compound treatment 0.227 -0.00747 -0.28 0.22 -0.0216 -0.99 -0.8971 -0.8717 1911397 Bionet2_000374 OC(CN1CCN(CC(O)C(F)(F)F)CC1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A23 mock treatment 0.21 -0.0245 -0.91 0.212 -0.0296 -1.36 -1.6032 -0.9811 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 A24 mock treatment 0.182 -0.0525 -1.95 0.188 -0.0536 -2.46 -3.1167 -0.9935 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B01 compound treatment 0.209 -0.0255 -0.95 0.206 -0.0356 -1.63 -1.8238 -0.9665 1911398 Bionet2_000375 Clc1cnc(NC(=O)c2cccs2)nc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B02 compound treatment 0.248 0.0135 0.5 0.254 0.0124 0.57 0.756 0.9983 1911399 Bionet2_000376 CCOC(=O)C1CCN(CC(O)C(F)(F)F)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B03 compound treatment 0.257 0.0225 0.84 0.26 0.0184 0.84 1.187 1.0 1537559 Bionet2_000377 OCCNc1ccc(Cl)nn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B04 compound treatment 0.249 0.0145 0.54 0.254 0.0124 0.57 0.7823 0.9997 1911400 Bionet2_000378 FC(F)(F)c1cccc(c1)C(=O)Nn2cnnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B05 compound treatment 0.255 0.0205 0.76 0.258 0.0164 0.75 1.0696 1.0 1734345 Bionet2_000379 CC(C)(CO)N1Cc2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B06 compound treatment 0.253 0.0185 0.69 0.254 0.0124 0.57 0.8875 0.9952 1911401 Bionet2_000380 COC(=O)Cn1cncn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B07 compound treatment 0.262 0.0275 1.02 0.269 0.0274 1.25 1.6099 0.995 1911402 Bionet2_000381 O=C1/C(=C/c2cccs2)/CCSc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B08 compound treatment 0.26 0.0255 0.95 0.264 0.0224 1.02 1.3954 0.9993 1911403 Bionet2_000382 OC(=O)CCCSc1nccn1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B09 compound treatment 0.258 0.0235 0.88 0.263 0.0214 0.98 1.3104 0.9985 1911404 Bionet2_000383 OC(CN1CCCCC1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B10 compound treatment 0.251 0.0165 0.61 0.25 0.00836 0.38 0.7054 0.9739 1138449 Bionet2_000384 O=S1(=O)CCN(Cc2cccnc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B11 compound treatment 0.274 0.0395 1.47 0.281 0.0394 1.8 2.314 0.9949 1911405 Bionet2_000385 Oc1nccc(c1C#N)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B12 compound treatment 0.288 0.0535 1.99 0.288 0.0464 2.12 2.9088 0.9995 1911406 Bionet2_000386 Cc1ccccc1NC(=O)Cn2c(nc3ccccc23)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B13 compound treatment 0.249 0.0145 0.54 0.257 0.0154 0.7 0.8794 0.9916 3002060 Bionet2_000387 CCOC(=O)[CH-]C(=O)C(F)(F)F.C1CN(CCN1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B14 compound treatment 0.246 0.0115 0.43 0.254 0.0124 0.57 0.7034 0.9907 1472872 Bionet2_000388 NC1=CC(=O)CC(C1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B15 compound treatment 0.251 0.0165 0.61 0.252 0.0104 0.47 0.7702 0.9918 1237116 Bionet2_000389 COC(=O)c1ccc(NC(=O)c2ccccc2C)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B16 compound treatment 0.26 0.0255 0.95 0.263 0.0214 0.98 1.363 0.9999 1370553 Bionet2_000390 Cc1oncc1C(=O)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B17 compound treatment 0.257 0.0225 0.84 0.264 0.0224 1.02 1.3165 0.9951 1731104 Bionet2_000391 CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B18 compound treatment 0.255 0.0205 0.76 0.253 0.0114 0.52 0.9077 0.9825 1352693 Bionet2_000392 COC(=O)c1cc2C(=O)NCCCn2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B19 compound treatment 0.257 0.0225 0.84 0.257 0.0154 0.7 1.0899 0.9962 1028259 Bionet2_000393 CS(=O)(=O)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B20 compound treatment 0.256 0.0215 0.8 0.251 0.00936 0.43 0.8693 0.957 1911408 Bionet2_000394 CCC(C)NC(=O)/C=C/c1cc2OCOc2cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B21 compound treatment 0.259 0.0245 0.91 0.253 0.0114 0.52 1.013 0.9645 1911409 Bionet2_000395 COc1ccccc1NC(=O)C2CC=CCC2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B22 compound treatment 0.246 0.0115 0.43 0.245 0.00336 0.15 0.412 0.9042 1911410 Bionet2_000396 CC(CC(=O)Nc1cccc(c1)C(F)(F)F)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B23 mock treatment 0.258 0.0235 0.88 0.252 0.0104 0.47 0.9543 0.9586 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 B24 mock treatment 0.227 -0.00747 -0.28 0.245 0.00336 0.15 -0.0877 -0.2762 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C01 compound treatment 0.213 -0.0215 -0.8 0.21 -0.0316 -1.45 -1.5891 -0.9606 1911411 Bionet2_000397 C=CCn1c(=O)sc2ccccc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C02 compound treatment 0.243 0.00853 0.32 0.245 0.00336 0.15 0.3331 0.9446 1236592 Bionet2_000398 COC(=O)C1CCN(CC1)C(=O)c2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C03 compound treatment 0.239 0.00453 0.17 0.237 -0.00464 -0.21 -0.0311 -0.1146 1911412 Bionet2_000399 COc1ccc(cc1)C2CC2/C(=N/O)/C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C04 compound treatment 0.285 0.0505 1.88 0.295 0.0534 2.44 3.0566 0.9916 1027292 Bionet2_000400 CCOc1ccc2cc(Br)ccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C05 compound treatment 0.239 0.00453 0.17 0.242 3.57E-4 0.02 0.1308 0.7721 1386099 Bionet2_000401 CC(=O)Nc1sccc1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C06 compound treatment 0.254 0.0195 0.73 0.254 0.0124 0.57 0.9138 0.9924 1911413 Bionet2_000402 Cn1nc(OC(=O)Nc2ccccc2)cc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C07 compound treatment 0.247 0.0125 0.47 0.249 0.00736 0.34 0.5678 0.9873 1559778 Bionet2_000403 COc1ccc(Oc2cc(C)c3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C08 compound treatment 0.258 0.0235 0.88 0.262 0.0204 0.93 1.278 0.9995 1911414 Bionet2_000404 OC(=O)/C=C\C(=O)c1ccc(O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C09 compound treatment 0.242 0.00753 0.28 0.247 0.00536 0.25 0.3716 0.9978 1723713 Bionet2_000405 OC(=O)c1sccc1NC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C10 compound treatment 0.25 0.0155 0.58 0.255 0.0134 0.61 0.841 0.9996 1278592 Bionet2_000406 Oc1ccc(OCc2ccccc2)c(F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C11 compound treatment 0.241 0.00653 0.24 0.242 3.57E-4 0.02 0.1834 0.753 1911415 Bionet2_000407 O/N=C/c1cccn1c2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C12 compound treatment 0.249 0.0145 0.54 0.251 0.00936 0.43 0.6852 0.9934 1721911 Bionet2_000408 Fc1ccc(Oc2ccc(C#N)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C13 compound treatment 0.239 0.00453 0.17 0.245 0.00336 0.15 0.2279 0.9989 1911416 Bionet2_000409 Clc1ccc(/C=C/S(=O)(=O)NCc2cccs2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C14 compound treatment 0.275 0.0405 1.51 0.274 0.0324 1.48 2.1137 1.0 1494858 Bionet2_000410 CCOC(=O)COc1ccc2c(C#N)c3ccccn3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C15 compound treatment 0.248 0.0135 0.5 0.245 0.00336 0.15 0.4646 0.8828 1718786 Bionet2_000411 CSc1nc(NCC=C)c2ccccc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C16 compound treatment 0.252 0.0175 0.65 0.249 0.00736 0.34 0.6993 0.9528 1911417 Bionet2_000412 O/N=C/c1cccc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C17 compound treatment 0.245 0.0105 0.39 0.243 0.00136 0.06 0.321 0.8091 1911418 Bionet2_000413 Cc1cccc(c1)C(=O)OCc2cncs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C18 compound treatment 0.252 0.0175 0.65 0.251 0.00936 0.43 0.7641 0.9792 1911419 Bionet2_000414 O/N=C\c1ccccc1Oc2ccc(Cl)c(F)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C19 compound treatment 0.24 0.00553 0.21 0.237 -0.00464 -0.21 -0.0048 -0.0162 1911420 Bionet2_000415 Fc1cccc(Cl)c1CSc2nc[nH]n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C20 compound treatment 0.252 0.0175 0.65 0.246 0.00436 0.2 0.6022 0.883 1911421 Bionet2_000416 O/N=C/c1cc2OCOc2cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C21 compound treatment 0.242 0.00753 0.28 0.238 -0.00364 -0.17 0.0802 0.2459 1539803 Bionet2_000417 CC(=O)Nc1ccccc1OCc2cnc(Cl)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C22 compound treatment 0.239 0.00453 0.17 0.242 3.57E-4 0.02 0.1308 0.7721 1201233 Bionet2_000418 O=S1(=O)CCN(CC1)C2CCCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C23 mock treatment 0.238 0.00353 0.13 0.238 -0.00364 -0.17 -0.025 -0.1178 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 C24 mock treatment 0.206 -0.0285 -1.06 0.203 -0.0386 -1.77 -1.9998 -0.9699 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D01 compound treatment 0.24 0.00553 0.21 0.239 -0.00264 -0.12 0.06 0.2512 1014140 Bionet2_000419 OCc1cc2OCOc2cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D02 compound treatment 0.247 0.0125 0.47 0.25 0.00836 0.38 0.6002 0.9952 1348449 Bionet2_000420 CCC(C)NC(=O)c1ccc(cc1)N2CCCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D03 compound treatment 0.256 0.0215 0.8 0.251 0.00936 0.43 0.8693 0.957 1724435 Bionet2_000421 CC(C)CC(N1Cc2ccccc2C1=O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D04 compound treatment 0.255 0.0205 0.76 0.25 0.00836 0.38 0.8106 0.9489 1478566 Bionet2_000422 COc1ccc(cc1)C(=O)Nn2cnnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D05 compound treatment 0.252 0.0175 0.65 0.251 0.00936 0.43 0.7641 0.9792 1109262 Bionet2_000423 CCOC(=O)c1cn2ccccc2c1C(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D06 compound treatment 0.245 0.0105 0.39 0.246 0.00436 0.2 0.4181 0.951 1911422 Bionet2_000424 Clc1ncc(COC(=O)c2ccc(Cl)cc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D07 compound treatment 0.256 0.0215 0.8 0.257 0.0154 0.7 1.0636 0.9979 1911423 Bionet2_000425 Cn1nc(OCC(=O)N2CCOCC2)cc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D08 compound treatment 0.269 0.0345 1.28 0.27 0.0284 1.3 1.8264 1.0 1911424 Bionet2_000426 O/C=C/C(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D09 compound treatment 0.25 0.0155 0.58 0.254 0.0124 0.57 0.8086 0.9999 1911425 Bionet2_000427 OC(CN1CCN(Cc2ccccc2)CC1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D10 compound treatment 0.247 0.0125 0.47 0.248 0.00636 0.29 0.5355 0.9743 1718077 Bionet2_000428 O=S1(=O)CCN(CCc2c[nH]c3ccccc23)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D11 compound treatment 0.259 0.0245 0.91 0.257 0.0154 0.7 1.1425 0.9917 1911426 Bionet2_000429 Oc1nccc(c1C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D12 compound treatment 0.26 0.0255 0.95 0.251 0.00936 0.43 0.9745 0.9353 1911427 Bionet2_000430 FC(F)(F)c1nc2ccccc2n1CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D13 compound treatment 0.258 0.0235 0.88 0.267 0.0254 1.16 1.4399 0.9903 1911428 Bionet2_000431 CCc1ccc(NC(=O)/C=C/C(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D14 compound treatment 0.304 0.0695 2.59 0.311 0.0694 3.18 4.0743 0.9948 1911429 Bionet2_000432 Clc1ccc2[nH]c(cc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D15 compound treatment 0.246 0.0115 0.43 0.245 0.00336 0.15 0.412 0.9042 1911430 Bionet2_000433 CCOC(=O)c1c(C)nn(c1C)c2cccc(C)c2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D16 compound treatment 0.267 0.0325 1.21 0.254 0.0124 0.57 1.2557 0.94 1911431 Bionet2_000434 COc1nc(nnc1C(F)(F)F)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D17 compound treatment 0.26 0.0255 0.95 0.262 0.0204 0.93 1.3306 1.0 1911432 Bionet2_000435 OC(=O)Cn1c(nc2ccccc12)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D18 compound treatment 0.251 0.0165 0.61 0.244 0.00236 0.11 0.5112 0.8187 1303177 Bionet2_000436 CC(Oc1ccc(c(F)c1)c2ccccc2)c3ccnc(N)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D19 compound treatment 0.25 0.0155 0.58 0.246 0.00436 0.2 0.5496 0.8992 1911433 Bionet2_000437 OC(CNCCc1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D20 compound treatment 0.248 0.0135 0.5 0.249 0.00736 0.34 0.5941 0.9809 1007595 Bionet2_000438 C(c1nnn[nH]1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D21 compound treatment 0.261 0.0265 0.99 0.247 0.00536 0.25 0.8713 0.8568 1127187 Bionet2_000439 Fc1ccc(cc1)c2cn3cc(I)ccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D22 compound treatment 0.254 0.0195 0.73 0.256 0.0144 0.66 0.9786 0.9988 1710802 Bionet2_000440 Cc1ccc(C)n1c2sccc2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D23 mock treatment 0.253 0.0185 0.69 0.248 0.00636 0.29 0.6933 0.9265 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 D24 mock treatment 0.226 -0.00847 -0.31 0.231 -0.0106 -0.49 -0.5673 -0.9777 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E01 compound treatment 0.23 -0.00447 -0.17 0.224 -0.0176 -0.81 -0.6887 -0.8351 1576946 Bionet2_000441 COCCn1c(=O)sc2ccccc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E02 compound treatment 0.269 0.0345 1.28 0.272 0.0304 1.39 1.8911 0.9992 1911434 Bionet2_000442 Cc1ccc(Oc2ccccc2/C=C/C(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E03 compound treatment 0.252 0.0175 0.65 0.253 0.0114 0.52 0.8288 0.9937 1911435 Bionet2_000443 Cc1cc(nc(O)c1S(=O)(=O)C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E04 compound treatment 0.254 0.0195 0.73 0.254 0.0124 0.57 0.9138 0.9924 1911436 Bionet2_000444 FC(F)(F)c1cnc(c(Cl)c1)n2nc(Br)nc2Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E05 compound treatment 0.256 0.0215 0.8 0.256 0.0144 0.66 1.0312 0.9952 1911437 Bionet2_000445 COC(=O)c1cc(Cl)sc1NC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E06 compound treatment 0.257 0.0225 0.84 0.258 0.0164 0.75 1.1222 0.9984 1569920 Bionet2_000446 OC(=O)c1cc(c2ccc(Cl)cc2)n(n1)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E07 compound treatment 0.251 0.0165 0.61 0.254 0.0124 0.57 0.8349 0.9991 1606273 Bionet2_000447 Cc1cc(nc2ccccc12)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E08 compound treatment 0.257 0.0225 0.84 0.264 0.0224 1.02 1.3165 0.9951 1294012 Bionet2_000448 COc1ccc(cc1)N2CCN(Cc3ccc(Cl)nc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E09 compound treatment 0.252 0.0175 0.65 0.255 0.0134 0.61 0.8936 0.9995 1911438 Bionet2_000449 COC(=O)c1sccc1NC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E10 compound treatment 0.264 0.0295 1.1 0.263 0.0214 0.98 1.4682 0.9983 1911439 Bionet2_000450 CSc1ccc(cc1)c2cccc(F)c2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E11 compound treatment 0.348 0.114 4.22 0.343 0.101 4.64 6.2676 0.9989 1349965 Bionet2_000451 CCOC(=O)c1c2ccc(O)cc2n3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E12 compound treatment 0.27 0.0355 1.32 0.26 0.0184 0.84 1.5289 0.9761 1131352 Bionet2_000452 Clc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E13 compound treatment 0.263 0.0285 1.06 0.26 0.0184 0.84 1.3448 0.9933 1142185 Bionet2_000453 COc1ccc(NS(=O)(=O)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E14 compound treatment 0.261 0.0265 0.99 0.253 0.0114 0.52 1.0656 0.9552 1911440 Bionet2_000454 CN(C(=O)COc1cc(nn1C)C(F)(F)F)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E15 compound treatment 0.262 0.0275 1.02 0.26 0.0184 0.84 1.3185 0.9952 1539139 Bionet2_000455 O=C(Nc1ccc(oc1=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E16 compound treatment 0.261 0.0265 0.99 0.254 0.0124 0.57 1.0979 0.9651 1911441 Bionet2_000456 Brc1cnc(nc1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E17 compound treatment 0.267 0.0325 1.21 0.256 0.0144 0.66 1.3205 0.9589 1911442 Bionet2_000457 O=C(OCc1cncs1)/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E18 compound treatment 0.257 0.0225 0.84 0.254 0.0124 0.57 0.9927 0.9817 1168616 Bionet2_000458 Nc1ccc(cc1)c2nc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E19 compound treatment 0.25 0.0155 0.58 0.247 0.00536 0.25 0.582 0.9272 1911443 Bionet2_000459 Cc1cccc(CSc2nc[nH]n2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E20 compound treatment 0.264 0.0295 1.1 0.261 0.0194 0.89 1.4035 0.9943 1911444 Bionet2_000460 COc1cc(Br)cc(/C=N/O)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E21 compound treatment 0.252 0.0175 0.65 0.251 0.00936 0.43 0.7641 0.9792 1911445 Bionet2_000461 Brc1ccc(cc1)N2C(=O)C=CC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E22 compound treatment 0.251 0.0165 0.61 0.255 0.0134 0.61 0.8673 1.0 1417906 Bionet2_000462 Clc1ccc(CN2CCS(=O)(=O)CC2)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E23 mock treatment 0.249 0.0145 0.54 0.248 0.00636 0.29 0.5881 0.9578 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 E24 mock treatment 0.208 -0.0265 -0.98 0.217 -0.0246 -1.13 -1.4939 -0.9977 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F01 compound treatment 0.219 -0.0155 -0.58 0.242 3.57E-4 0.02 -0.3952 -0.6867 1608209 Bionet2_000463 COc1cccc2cc(oc12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F02 compound treatment 0.256 0.0215 0.8 0.256 0.0144 0.66 1.0312 0.9952 1606932 Bionet2_000464 CCC(C)NC(=O)c1cc(c[nH]1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F03 compound treatment 0.261 0.0265 0.99 0.259 0.0174 0.79 1.2598 0.9942 1911446 Bionet2_000465 OC(CNC1CCCC1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F04 compound treatment 0.27 0.0355 1.32 0.26 0.0184 0.84 1.5289 0.9761 1911447 Bionet2_000466 FC(F)(F)c1cccc(c1)C(=O)Nc2ccnc(n2)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F05 compound treatment 0.263 0.0285 1.06 0.265 0.0234 1.07 1.5067 1.0 1599829 Bionet2_000467 CCOC(=O)c1c(cn2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F06 compound treatment 0.256 0.0215 0.8 0.255 0.0134 0.61 0.9988 0.9911 1911448 Bionet2_000468 Cc1ccccc1C(=O)OCc2cnc(Cl)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F07 compound treatment 0.26 0.0255 0.95 0.264 0.0224 1.02 1.3954 0.9993 1572297 Bionet2_000469 OC(=O)C1CCC(=O)N1Cc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F08 compound treatment 0.265 0.0305 1.14 0.269 0.0274 1.25 1.6888 0.9988 1911449 Bionet2_000470 OC(CSc1nc2ccccc2s1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F09 compound treatment 0.265 0.0305 1.14 0.255 0.0134 0.61 1.2355 0.9578 1911450 Bionet2_000471 OC(CN1CCc2ccccc2C1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F10 compound treatment 0.258 0.0235 0.88 0.26 0.0184 0.84 1.2133 0.9998 1474579 Bionet2_000472 CC(=O)NC(C1CCCCC1=O)c2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F11 compound treatment 0.254 0.0195 0.73 0.256 0.0144 0.66 0.9786 0.9988 1523136 Bionet2_000473 O=S(=O)(c1ccccc1)n2ccc3cccnc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F12 compound treatment 0.254 0.0195 0.73 0.256 0.0144 0.66 0.9786 0.9988 1911451 Bionet2_000474 COc1ccccc1NC(=O)Cn2c(nc3ccccc23)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F13 compound treatment 0.261 0.0265 0.99 0.268 0.0264 1.21 1.5512 0.995 1022215 Bionet2_000475 COC(=O)c1ccc(N)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F14 compound treatment 0.256 0.0215 0.8 0.255 0.0134 0.61 0.9988 0.9911 1911452 Bionet2_000476 CCOC(=O)c1cnn2c(C)c(Cc3cccc(F)c3)c(C)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F15 compound treatment 0.252 0.0175 0.65 0.252 0.0104 0.47 0.7965 0.9878 1667119 Bionet2_000477 Clc1cccc(c1)C2NCCc3nc[nH]c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F16 compound treatment 0.254 0.0195 0.73 0.249 0.00736 0.34 0.7519 0.9389 1911453 Bionet2_000478 Cc1cccc(OC(=O)Cn2c(nc3ccccc23)C(F)(F)F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F17 compound treatment 0.268 0.0335 1.25 0.267 0.0254 1.16 1.7029 0.9994 1911454 Bionet2_000479 CCn1c(nc2ccccc12)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F18 compound treatment 0.265 0.0305 1.14 0.258 0.0164 0.75 1.3326 0.9796 1424688 Bionet2_000480 O=S1(=O)CCN(Cc2ccccn2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F19 compound treatment 0.254 0.0195 0.73 0.26 0.0184 0.84 1.1081 0.9974 1686804 Bionet2_000481 CC(CO)N1CCS(=O)(=O)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F20 compound treatment 0.252 0.0175 0.65 0.252 0.0104 0.47 0.7965 0.9878 1047920 Bionet2_000482 C1Cc2[nH]cnc2C(N1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F21 compound treatment 0.259 0.0245 0.91 0.257 0.0154 0.7 1.1425 0.9917 1539914 Bionet2_000483 Cc1ccc(CN2CCS(=O)(=O)CC2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F22 compound treatment 0.254 0.0195 0.73 0.254 0.0124 0.57 0.9138 0.9924 1911455 Bionet2_000484 Cc1ccc(C)n1c2sccc2C(=O)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F23 mock treatment 0.253 0.0185 0.69 0.256 0.0144 0.66 0.9523 0.9997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 F24 mock treatment 0.244 0.00953 0.35 0.249 0.00736 0.34 0.4889 0.9997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G01 compound treatment 0.223 -0.0115 -0.43 0.239 -0.00264 -0.12 -0.3871 -0.8733 1911456 Bionet2_000485 Cc1nnc(nc1O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G02 compound treatment 0.253 0.0185 0.69 0.251 0.00936 0.43 0.7904 0.9738 1144806 Bionet2_000486 OCc1ccc(OCc2cnc(Cl)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G03 compound treatment 0.244 0.00953 0.35 0.24 -0.00164 -0.08 0.1975 0.545 1911457 Bionet2_000487 Cc1ccc(Sc2nc(C)cc(C)c2S(=O)(=O)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G04 compound treatment 0.253 0.0185 0.69 0.255 0.0134 0.61 0.9199 0.9982 1911458 Bionet2_000488 Clc1ccc(cc1)S(=O)(=O)Cn2nc(Br)nc2Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G05 compound treatment 0.255 0.0205 0.76 0.251 0.00936 0.43 0.843 0.9627 1053289 Bionet2_000489 O=C(CC#N)N1CCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G06 compound treatment 0.254 0.0195 0.73 0.25 0.00836 0.38 0.7843 0.9551 1266763 Bionet2_000490 COc1ccc(cc1)N2C(C(CN3CCN(C)CC3)C2=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G07 compound treatment 0.22 -0.0145 -0.54 0.224 -0.0176 -0.81 -0.9517 -0.9805 1141263 Bionet2_000491 Cc1cc(nc2ccccc12)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G08 compound treatment 0.256 0.0215 0.8 0.262 0.0204 0.93 1.2254 0.9971 1911459 Bionet2_000492 OC(CS(=O)(=O)c1ccc(Br)cc1)c2ccc(Cl)c(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G09 compound treatment 0.272 0.0375 1.4 0.267 0.0254 1.16 1.8081 0.9958 1911460 Bionet2_000493 On1cc(nc(c2ccccc2)c1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G10 compound treatment 0.253 0.0185 0.69 0.255 0.0134 0.61 0.9199 0.9982 1063001 Bionet2_000494 CCC(=O)c1ccc(OC)c(F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G11 compound treatment 0.246 0.0115 0.43 0.249 0.00736 0.34 0.5415 0.9928 1911461 Bionet2_000495 c1ccn(c1)c2cnccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G12 compound treatment 0.263 0.0285 1.06 0.262 0.0204 0.93 1.4095 0.9979 1731512 Bionet2_000496 Cc1ccn2c(CO)c(nc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G13 compound treatment 0.252 0.0175 0.65 0.256 0.0144 0.66 0.926 1.0 1911462 Bionet2_000497 O(c1ccc(cc1)n2cccc2)c3ncccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G14 compound treatment 0.254 0.0195 0.73 0.255 0.0134 0.61 0.9462 0.9963 1338283 Bionet2_000498 OC(=O)c1ccc(Oc2ccc(Cl)c(F)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G15 compound treatment 0.25 0.0155 0.58 0.252 0.0104 0.47 0.7439 0.9952 1911463 Bionet2_000499 OCc1cc(on1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G16 compound treatment 0.256 0.0215 0.8 0.256 0.0144 0.66 1.0312 0.9952 1595710 Bionet2_000500 Clc1ncc(CN2CCCc3ccccc23)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G17 compound treatment 0.254 0.0195 0.73 0.254 0.0124 0.57 0.9138 0.9924 1911464 Bionet2_000501 O=C(Nc1ccccc1)OCc2cncs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G18 compound treatment 0.264 0.0295 1.1 0.263 0.0214 0.98 1.4682 0.9983 1911465 Bionet2_000502 N/C(=C\C#N)/c1ccc(Oc2ccc(Cl)c(F)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G19 compound treatment 0.247 0.0125 0.47 0.251 0.00936 0.43 0.6326 0.9991 1911466 Bionet2_000503 Cc1cccc(CS(=O)(=O)c2nc[nH]n2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G20 compound treatment 0.259 0.0245 0.91 0.252 0.0104 0.47 0.9806 0.9535 1219697 Bionet2_000504 COC(=O)C1CCN(CC1)C(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G21 compound treatment 0.247 0.0125 0.47 0.247 0.00536 0.25 0.5031 0.955 1911467 Bionet2_000505 FC(F)(Br)C(F)(Br)CCS(=O)(=O)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G22 compound treatment 0.257 0.0225 0.84 0.257 0.0154 0.7 1.0899 0.9962 1911468 Bionet2_000506 COc1cc(Br)cc(CO)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G23 mock treatment 0.248 0.0135 0.5 0.248 0.00636 0.29 0.5618 0.9661 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 G24 mock treatment 0.238 0.00353 0.13 0.239 -0.00264 -0.12 0.0074 0.0412 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H01 compound treatment 0.24 0.00553 0.21 0.241 -6.43E-4 -0.03 0.1247 0.5999 1466662 Bionet2_000507 OC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H02 compound treatment 0.245 0.0105 0.39 0.24 -0.00164 -0.08 0.2238 0.5611 1360972 Bionet2_000508 O=C(NCc1cccnc1)c2cc(c[nH]2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H03 compound treatment 0.262 0.0275 1.02 0.265 0.0234 1.07 1.4804 0.9998 1911469 Bionet2_000509 O=C1/C(=C/c2ccccc2)/COc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H04 compound treatment 0.248 0.0135 0.5 0.248 0.00636 0.29 0.5618 0.9661 1911470 Bionet2_000510 FC(F)(F)C(CN1CCCCC1)OC(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H05 compound treatment 0.259 0.0245 0.91 0.26 0.0184 0.84 1.2396 0.9992 1552920 Bionet2_000511 CCOC(=O)c1c(cn2ccccc12)c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H06 compound treatment 0.248 0.0135 0.5 0.252 0.0104 0.47 0.6913 0.9996 1911471 Bionet2_000512 Clc1ncc(COC(=O)/C=C/c2ccccc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H07 compound treatment 0.258 0.0235 0.88 0.255 0.0134 0.61 1.0514 0.9846 1216868 Bionet2_000513 OCC(Cc1ccccc1)N2Cc3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H08 compound treatment 0.255 0.0205 0.76 0.258 0.0164 0.75 1.0696 1.0 1911472 Bionet2_000514 OC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H09 compound treatment 0.259 0.0245 0.91 0.257 0.0154 0.7 1.1425 0.9917 1911473 Bionet2_000515 OC(CNC1CCCCCC1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H10 compound treatment 0.268 0.0335 1.25 0.259 0.0174 0.79 1.4439 0.9763 1911474 Bionet2_000516 CCc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H11 compound treatment 0.251 0.0165 0.61 0.251 0.00936 0.43 0.7378 0.9844 1911475 Bionet2_000517 Clc1ccc(NC(=O)c2snnc2c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H12 compound treatment 0.25 0.0155 0.58 0.247 0.00536 0.25 0.582 0.9272 1911476 Bionet2_000518 COc1cccc(NC(=O)Cn2c(nc3ccccc23)C(F)(F)F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H13 compound treatment 0.246 0.0115 0.43 0.249 0.00736 0.34 0.5415 0.9928 1911477 Bionet2_000519 COC(=O)/C=C/c1cnc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H14 compound treatment 0.265 0.0305 1.14 0.263 0.0214 0.98 1.4945 0.9972 1911478 Bionet2_000520 Oc1ccc(cc1)c2nccc(n2)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H15 compound treatment 0.246 0.0115 0.43 0.247 0.00536 0.25 0.4768 0.9648 1911479 Bionet2_000521 FC(F)(F)c1cccc(c1)C2NCCc3nc[nH]c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H16 compound treatment 0.248 0.0135 0.5 0.243 0.00136 0.06 0.3999 0.7884 1911480 Bionet2_000522 Cc1ccccc1OC(=O)Cn2c(nc3ccccc23)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H17 compound treatment 0.264 0.0295 1.1 0.263 0.0214 0.98 1.4682 0.9983 1911481 Bionet2_000523 COC(=O)Cn1c(nc2ccccc12)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H18 compound treatment 0.253 0.0185 0.69 0.253 0.0114 0.52 0.8551 0.9903 1911482 Bionet2_000524 FC(F)(F)Oc1ccc(CN2CCS(=O)(=O)CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H19 compound treatment 0.256 0.0215 0.8 0.259 0.0174 0.79 1.1283 1.0 1687348 Bionet2_000525 OC(=O)C1CC=CCC1C(=O)Nc2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H20 compound treatment 0.255 0.0205 0.76 0.256 0.0144 0.66 1.0049 0.9972 1911483 Bionet2_000526 Cc1cc(/C=C/C(=O)O)c(C)n1n2cnnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H21 compound treatment 0.251 0.0165 0.61 0.255 0.0134 0.61 0.8673 1.0 1676297 Bionet2_000527 Cc1ccccc1c2nnc(c3ccccc3C)n2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H22 compound treatment 0.248 0.0135 0.5 0.249 0.00736 0.34 0.5941 0.9809 1712060 Bionet2_000528 CC(CC(=O)Nc1cccc(Cl)c1)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H23 mock treatment 0.256 0.0215 0.8 0.256 0.0144 0.66 1.0312 0.9952 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 H24 mock treatment 0.232 -0.00247 -0.09 0.251 0.00936 0.43 0.2381 0.5434 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I01 compound treatment 0.241 0.00653 0.24 0.243 0.00136 0.06 0.2158 0.8602 1234759 Bionet2_000529 NC(=O)CN1C(=O)Cc2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I02 compound treatment 0.26 0.0255 0.95 0.26 0.0184 0.84 1.2659 0.9981 1911484 Bionet2_000530 Fc1cc(OCc2cnc(Cl)s2)ccc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I03 compound treatment 0.256 0.0215 0.8 0.257 0.0154 0.7 1.0636 0.9979 1911485 Bionet2_000531 Cc1ccc(cc1)C(=O)Cn2cccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I04 compound treatment 0.254 0.0195 0.73 0.255 0.0134 0.61 0.9462 0.9963 1451816 Bionet2_000532 Cn1c(CO)cnc1S(=O)(=O)Cc2c(Cl)cccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I05 compound treatment 0.264 0.0295 1.1 0.257 0.0154 0.7 1.274 0.9768 1911486 Bionet2_000533 N#Cc1ccsc1/N=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I06 compound treatment 0.266 0.0315 1.17 0.259 0.0174 0.79 1.3913 0.982 1142650 Bionet2_000534 Cc1nc2sccn2c1C(=O)Nc3cc(C)cc(C)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I07 compound treatment 0.257 0.0225 0.84 0.253 0.0114 0.52 0.9603 0.9736 1911487 Bionet2_000535 CN(C)c1nc(nnc1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I08 compound treatment 0.283 0.0485 1.81 0.29 0.0484 2.21 2.8421 0.9949 1019508 Bionet2_000536 CCCC(=O)c1ccc(cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I09 compound treatment 0.254 0.0195 0.73 0.259 0.0174 0.79 1.0757 0.999 1911488 Bionet2_000537 COc1ccsc1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I10 compound treatment 0.263 0.0285 1.06 0.261 0.0194 0.89 1.3772 0.996 1911489 Bionet2_000538 CCCC1CCC(CC1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I11 compound treatment 0.253 0.0185 0.69 0.254 0.0124 0.57 0.8875 0.9952 1572212 Bionet2_000539 COc1ccc2ccccc2c1S(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I12 compound treatment 0.261 0.0265 0.99 0.261 0.0194 0.89 1.3246 0.9986 1911490 Bionet2_000540 Cc1ccc(Oc2ccc(C#N)cc2)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I13 compound treatment 0.26 0.0255 0.95 0.257 0.0154 0.7 1.1688 0.9891 1911491 Bionet2_000541 FC(=C(F)CCSC1=NCCN1)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I14 compound treatment 0.255 0.0205 0.76 0.258 0.0164 0.75 1.0696 1.0 1911492 Bionet2_000542 OC(CN1CCSCC1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I15 compound treatment 0.257 0.0225 0.84 0.253 0.0114 0.52 0.9603 0.9736 1911493 Bionet2_000543 ClCc1cc(on1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I16 compound treatment 0.253 0.0185 0.69 0.248 0.00636 0.29 0.6933 0.9265 1269738 Bionet2_000544 Clc1ncc(CN2CCc3ccccc3C2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I17 compound treatment 0.309 0.0745 2.77 0.313 0.0714 3.27 4.2706 0.9967 1375357 Bionet2_000545 COc1ccc2c(C#N)c3ccccn3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I18 compound treatment 0.263 0.0285 1.06 0.265 0.0234 1.07 1.5067 1.0 1911494 Bionet2_000546 Cc1ccc(C)n1c2ncc(Br)cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I19 compound treatment 0.246 0.0115 0.43 0.243 0.00136 0.06 0.3473 0.8012 1911495 Bionet2_000547 CCC1CS/C(=N\c2cccc(c2)C(F)(F)F)/N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I20 compound treatment 0.257 0.0225 0.84 0.257 0.0154 0.7 1.0899 0.9962 1911496 Bionet2_000548 COC(=O)N1CCC(CC1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I21 compound treatment 0.252 0.0175 0.65 0.253 0.0114 0.52 0.8288 0.9937 1911497 Bionet2_000549 COC(=O)c1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I22 compound treatment 0.258 0.0235 0.88 0.258 0.0164 0.75 1.1485 0.997 1911498 Bionet2_000550 CCOC(=O)c1ccc(/N=C/c2cccs2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I23 mock treatment 0.254 0.0195 0.73 0.256 0.0144 0.66 0.9786 0.9988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 I24 mock treatment 0.232 -0.00247 -0.09 0.25 0.00836 0.38 0.2057 0.5227 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J01 compound treatment 0.238 0.00353 0.13 0.24 -0.00164 -0.08 0.0397 0.2624 1911499 Bionet2_000551 Fc1cccc(Cl)c1/C=C/2\N3CCC(CC3)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J02 compound treatment 0.25 0.0155 0.58 0.246 0.00436 0.2 0.5496 0.8992 1911500 Bionet2_000552 O=C(NCCCn1ccnc1)c2cc(c[nH]2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J03 compound treatment 0.252 0.0175 0.65 0.254 0.0124 0.57 0.8612 0.9975 1287139 Bionet2_000553 O=S1(=O)CCN(CC2CCCC2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J04 compound treatment 0.253 0.0185 0.69 0.254 0.0124 0.57 0.8875 0.9952 1911501 Bionet2_000554 C/C(=N\O)/c1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J05 compound treatment 0.248 0.0135 0.5 0.25 0.00836 0.38 0.6265 0.9908 1544629 Bionet2_000555 CCC1NCCc2c1[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J06 compound treatment 0.256 0.0215 0.8 0.25 0.00836 0.38 0.8369 0.9429 1911502 Bionet2_000556 Clc1ncc(COC(=O)c2cccc(Cl)c2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J07 compound treatment 0.257 0.0225 0.84 0.259 0.0174 0.79 1.1546 0.9996 1243438 Bionet2_000557 OC(=O)c1cn2ccccc2c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J08 compound treatment 0.261 0.0265 0.99 0.255 0.0134 0.61 1.1303 0.9735 1063672 Bionet2_000558 ClCCNC(=O)Cc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J09 compound treatment 0.253 0.0185 0.69 0.255 0.0134 0.61 0.9199 0.9982 1911503 Bionet2_000559 OC(CN1CCN(CC1)c2ccccc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J10 compound treatment 0.247 0.0125 0.47 0.25 0.00836 0.38 0.6002 0.9952 1911504 Bionet2_000560 FC(F)(F)c1cc(Cl)c2nnc(n2c1)C(F)(F)Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J11 compound treatment 0.257 0.0225 0.84 0.256 0.0144 0.66 1.0575 0.9928 1911505 Bionet2_000561 CSc1cc(c(s1)C(=O)O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J12 compound treatment 0.255 0.0205 0.76 0.251 0.00936 0.43 0.843 0.9627 1911506 Bionet2_000562 FC(F)(F)c1nc2ccccc2n1CC(=O)NCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J13 compound treatment 0.26 0.0255 0.95 0.253 0.0114 0.52 1.0393 0.9598 1911507 Bionet2_000563 O=C(CC#N)c1sccc1n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J14 compound treatment 0.242 0.00753 0.28 0.237 -0.00464 -0.21 0.0478 0.1359 1911508 Bionet2_000564 FC(F)(F)C(CN1CCN(CC1)c2ccccc2)OC(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J15 compound treatment 0.261 0.0265 0.99 0.258 0.0164 0.75 1.2274 0.9907 1911509 Bionet2_000565 Fc1ccc(Sc2cc(Cl)c(nn2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J16 compound treatment 0.259 0.0245 0.91 0.255 0.0134 0.61 1.0777 0.9811 1911510 Bionet2_000566 Cc1ccc(OC(=O)Cn2c(nc3ccccc23)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J17 compound treatment 0.259 0.0245 0.91 0.263 0.0214 0.98 1.3367 0.9994 1911511 Bionet2_000567 CCOC(=O)c1cc(on1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J18 compound treatment 0.24 0.00553 0.21 0.24 -0.00164 -0.08 0.0923 0.4214 1911512 Bionet2_000568 OC(CNCc1ccc(OC(F)(F)F)cc1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J19 compound treatment 0.261 0.0265 0.99 0.262 0.0204 0.93 1.3569 0.9996 1911513 Bionet2_000569 Oc1ccc(/C=N\n2cnnc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J20 compound treatment 0.253 0.0185 0.69 0.256 0.0144 0.66 0.9523 0.9997 1911514 Bionet2_000570 Brc1cc2OCOc2cc1/C=C/C(=O)N3CCN(Cc4ccccc4)CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J21 compound treatment 0.241 0.00653 0.24 0.241 -6.43E-4 -0.03 0.151 0.6169 1911515 Bionet2_000571 CCN(C)C(=O)/C=C/c1cnc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J22 compound treatment 0.245 0.0105 0.39 0.247 0.00536 0.25 0.4505 0.9746 1738886 Bionet2_000572 CC(CC(=O)Nc1ccc(C)cc1)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J23 mock treatment 0.25 0.0155 0.58 0.25 0.00836 0.38 0.6791 0.98 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 J24 mock treatment 0.224 -0.0105 -0.39 0.244 0.00236 0.11 -0.199 -0.4925 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K01 compound treatment 0.222 -0.0125 -0.46 0.238 -0.00364 -0.17 -0.4458 -0.9047 1191772 Bionet2_000573 O=C(C1CC1c2ccccc2)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K02 compound treatment 0.248 0.0135 0.5 0.253 0.0114 0.52 0.7236 0.9999 1911516 Bionet2_000574 NC(=O)/C=C\c1ccccc1Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K03 compound treatment 0.257 0.0225 0.84 0.256 0.0144 0.66 1.0575 0.9928 1911517 Bionet2_000575 C/[N+](=C\c1coc2ccccc2c1=O)/[O-] 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K04 compound treatment 0.279 0.0445 1.66 0.271 0.0294 1.34 2.1217 0.9946 1911518 Bionet2_000576 Clc1ccc(NC=C2C(=O)CCCC2=O)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K05 compound treatment 0.263 0.0285 1.06 0.259 0.0174 0.79 1.3124 0.9898 1911519 Bionet2_000577 Cc1ccc(C)n1c2sccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K06 compound treatment 0.26 0.0255 0.95 0.258 0.0164 0.75 1.2011 0.9931 1911520 Bionet2_000578 OC(=O)c1cc(OCC=C)cc(OCC=C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K07 compound treatment 0.247 0.0125 0.47 0.242 3.57E-4 0.02 0.3412 0.7315 1911521 Bionet2_000579 CC(C)Nc1nc(nnc1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K08 compound treatment 0.276 0.0415 1.54 0.274 0.0324 1.48 2.14 0.9998 1241498 Bionet2_000580 Cc1ccn2cc(nc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K09 compound treatment 0.256 0.0215 0.8 0.253 0.0114 0.52 0.934 0.9781 1689913 Bionet2_000581 C1CN(CCN1c2ccccc2)c3ncccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K10 compound treatment 0.253 0.0185 0.69 0.256 0.0144 0.66 0.9523 0.9997 1911522 Bionet2_000582 OC(=O)c1cccnc1SCCC(=C(F)F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K11 compound treatment 0.269 0.0345 1.28 0.266 0.0244 1.12 1.6969 0.9975 1911523 Bionet2_000583 Nc1ccc(Oc2ncccn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K12 compound treatment 0.259 0.0245 0.91 0.257 0.0154 0.7 1.1425 0.9917 1911524 Bionet2_000584 Cc1cc(C)cc(Oc2ccccc2/C=N\O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K13 compound treatment 0.264 0.0295 1.1 0.254 0.0124 0.57 1.1768 0.9524 1911525 Bionet2_000585 FC(=C(F)CCSc1nc[nH]n1)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K14 compound treatment 0.253 0.0185 0.69 0.255 0.0134 0.61 0.9199 0.9982 1911526 Bionet2_000586 OC(CN1CCOCC1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K15 compound treatment 0.253 0.0185 0.69 0.258 0.0164 0.75 1.017 0.9991 1388956 Bionet2_000587 Clc1cc(nc(n1)c2ccccc2)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K16 compound treatment 0.26 0.0255 0.95 0.256 0.0144 0.66 1.1364 0.9839 1911527 Bionet2_000588 FC(F)(F)c1ccc(N/C=C/2\C(=O)Oc3ccccc3C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K17 compound treatment 0.259 0.0245 0.91 0.259 0.0174 0.79 1.2072 0.9976 1911528 Bionet2_000589 FC(F)(F)c1cccc(CSc2nc[nH]n2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K18 compound treatment 0.258 0.0235 0.88 0.258 0.0164 0.75 1.1485 0.997 1569120 Bionet2_000590 COc1cccc2cc(oc12)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K19 compound treatment 0.244 0.00953 0.35 0.244 0.00236 0.11 0.3271 0.8824 1911529 Bionet2_000591 CC(C)(C)n1nc(c(C#N)c1N)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K20 compound treatment 0.251 0.0165 0.61 0.25 0.00836 0.38 0.7054 0.9739 1248139 Bionet2_000592 Nc1c(C#N)ncn1c2ccccc2Oc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K21 compound treatment 0.257 0.0225 0.84 0.255 0.0134 0.61 1.0251 0.988 1911530 Bionet2_000593 CN(c1ncc(cc1Cl)C(F)(F)F)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K22 compound treatment 0.258 0.0235 0.88 0.253 0.0114 0.52 0.9867 0.9691 1911531 Bionet2_000594 COc1ccc(Oc2ccc(cc2)/C(=C/C#N)/N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K23 mock treatment 0.255 0.0205 0.76 0.256 0.0144 0.66 1.0049 0.9972 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 K24 mock treatment 0.224 -0.0105 -0.39 0.239 -0.00264 -0.12 -0.3608 -0.8851 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L01 compound treatment 0.251 0.0165 0.61 0.246 0.00436 0.2 0.5759 0.8908 1174601 Bionet2_000595 COc1ccc(Oc2ccccc2C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L02 compound treatment 0.254 0.0195 0.73 0.254 0.0124 0.57 0.9138 0.9924 1911532 Bionet2_000596 FC(F)(F)c1cccc(CN2CCS(=O)(=O)CC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L03 compound treatment 0.255 0.0205 0.76 0.253 0.0114 0.52 0.9077 0.9825 1195409 Bionet2_000597 COc1cccc2cc(oc12)C(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L04 compound treatment 0.258 0.0235 0.88 0.257 0.0154 0.7 1.1162 0.9941 1911533 Bionet2_000598 O[C@H](CSc1ncccn1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L05 compound treatment 0.261 0.0265 0.99 0.258 0.0164 0.75 1.2274 0.9907 1207575 Bionet2_000599 COC(=O)C(Cc1ccc(O)cc1)N2Cc3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L06 compound treatment 0.261 0.0265 0.99 0.259 0.0174 0.79 1.2598 0.9942 1599619 Bionet2_000600 Clc1ncc(COc2ccc(CC#N)cc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L07 compound treatment 0.254 0.0195 0.73 0.256 0.0144 0.66 0.9786 0.9988 1911534 Bionet2_000601 Cc1nc2ccccc2nc1Oc3ccc(Cl)c(F)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L08 compound treatment 0.288 0.0535 1.99 0.289 0.0474 2.17 2.9412 0.9991 1309038 Bionet2_000602 CCc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L09 compound treatment 0.254 0.0195 0.73 0.254 0.0124 0.57 0.9138 0.9924 1911535 Bionet2_000603 OC(CN1CCc2ccccc12)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L10 compound treatment 0.262 0.0275 1.02 0.258 0.0164 0.75 1.2537 0.9882 1911536 Bionet2_000604 COc1ccc(NC(=O)Cn2c(nc3ccccc23)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L11 compound treatment 0.287 0.0525 1.95 0.278 0.0364 1.66 2.5588 0.9968 1911537 Bionet2_000605 CC(C)(C)c1cc2cccnc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L12 compound treatment 0.26 0.0255 0.95 0.257 0.0154 0.7 1.1688 0.9891 1911538 Bionet2_000606 OC(=O)c1ccccc1NC(=O)Cn2c(nc3ccccc23)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L13 compound treatment 0.261 0.0265 0.99 0.258 0.0164 0.75 1.2274 0.9907 1478498 Bionet2_000607 Cc1ccc(C)n1c2ccsc2C(=O)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L14 compound treatment 0.262 0.0275 1.02 0.257 0.0154 0.7 1.2214 0.9832 1650182 Bionet2_000608 CCN1CCN(CC1)c2ccc(N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L15 compound treatment 0.259 0.0245 0.91 0.259 0.0174 0.79 1.2072 0.9976 1911539 Bionet2_000609 COc1cnc(nc1Sc2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L16 compound treatment 0.258 0.0235 0.88 0.253 0.0114 0.52 0.9867 0.9691 1911540 Bionet2_000610 FC(F)(F)c1nc2ccccc2n1CC(=O)Oc3ccc(C#N)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L17 compound treatment 0.268 0.0335 1.25 0.264 0.0224 1.02 1.6058 0.9952 1466521 Bionet2_000611 Oc1ccc(cc1)c2ncc3C(=O)CCCc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L18 compound treatment 0.254 0.0195 0.73 0.256 0.0144 0.66 0.9786 0.9988 1155682 Bionet2_000612 Cc1cccc(n1)n2cnc(c2)C(=O)N3CCN(CC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L19 compound treatment 0.259 0.0245 0.91 0.259 0.0174 0.79 1.2072 0.9976 1911541 Bionet2_000613 C(=N/n1cnnc1)/c2ccsc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L20 compound treatment 0.26 0.0255 0.95 0.259 0.0174 0.79 1.2335 0.9961 1911542 Bionet2_000614 O=C(CNC(=O)/C(=C/c1cccs1)/c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L21 compound treatment 0.253 0.0185 0.69 0.248 0.00636 0.29 0.6933 0.9265 1682521 Bionet2_000615 Cc1ccc(cc1)C(=O)CSc2nccn2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L22 compound treatment 0.253 0.0185 0.69 0.253 0.0114 0.52 0.8551 0.9903 1207609 Bionet2_000616 CC(CC(=O)Nc1ccc(F)cc1)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L23 mock treatment 0.254 0.0195 0.73 0.252 0.0104 0.47 0.8491 0.9786 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 L24 mock treatment 0.228 -0.00647 -0.24 0.244 0.00236 0.11 -0.0938 -0.3557 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M01 compound treatment 0.242 0.00753 0.28 0.227 -0.0146 -0.67 -0.2759 -0.3798 1324057 Bionet2_000617 COc1cccc(c1)C(=O)C2CC2c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M02 compound treatment 0.251 0.0165 0.61 0.244 0.00236 0.11 0.5112 0.8187 1911543 Bionet2_000618 Brc1nc(Br)n(Cc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M03 compound treatment 0.255 0.0205 0.76 0.277 0.0354 1.62 1.6848 0.9412 1911544 Bionet2_000619 O=C(NC(=S)n1nnc2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M04 compound treatment 0.269 0.0345 1.28 0.266 0.0244 1.12 1.6969 0.9975 1911545 Bionet2_000620 Clc1cccc(NC=C2C(=O)CCCC2=O)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M05 compound treatment 0.265 0.0305 1.14 0.26 0.0184 0.84 1.3974 0.989 1911546 Bionet2_000621 O=C(CSC1CCCCC1)Nc2sccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M06 compound treatment 0.26 0.0255 0.95 0.254 0.0124 0.57 1.0716 0.9694 1157334 Bionet2_000622 CC(Oc1ccc(OCc2ccccc2)cc1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M07 compound treatment 0.238 0.00353 0.13 0.239 -0.00264 -0.12 0.0074 0.0412 1911547 Bionet2_000623 Cc1nnc(nc1NC(C)(C)C)c2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M08 compound treatment 0.268 0.0335 1.25 0.273 0.0314 1.44 1.8972 0.9975 1034979 Bionet2_000624 c1c(cn2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M09 compound treatment 0.25 0.0155 0.58 0.251 0.00936 0.43 0.7115 0.9892 1911548 Bionet2_000625 CCOC(=O)C1=C(C)Nc2ccccc2S1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M10 compound treatment 0.268 0.0335 1.25 0.27 0.0284 1.3 1.8001 0.9998 1911549 Bionet2_000626 O/N=C/C1=C(Cl)c2ccccc2CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M11 compound treatment 0.256 0.0215 0.8 0.257 0.0154 0.7 1.0636 0.9979 1911550 Bionet2_000627 C/C(=N\O)/c1cc(Cl)sc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M12 compound treatment 0.267 0.0325 1.21 0.266 0.0244 1.12 1.6443 0.9992 1911551 Bionet2_000628 Clc1ccc2nc(cn2c1)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M13 compound treatment 0.259 0.0245 0.91 0.249 0.00736 0.34 0.8834 0.9082 1238208 Bionet2_000629 CC(=O)Nc1ccc(OCc2cnc(Cl)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M14 compound treatment 0.253 0.0185 0.69 0.252 0.0104 0.47 0.8228 0.9833 1911552 Bionet2_000630 OC(CNCCc1ccccn1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M15 compound treatment 0.252 0.0175 0.65 0.253 0.0114 0.52 0.8288 0.9937 1625342 Bionet2_000631 CCOC(=O)Cn1c(=O)cc(C)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M16 compound treatment 0.266 0.0315 1.17 0.258 0.0164 0.75 1.3589 0.9765 1438344 Bionet2_000632 NNc1cccc2cccnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M17 compound treatment 0.254 0.0195 0.73 0.254 0.0124 0.57 0.9138 0.9924 1911553 Bionet2_000633 COc1ccc(CSc2nc[nH]n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M18 compound treatment 0.257 0.0225 0.84 0.256 0.0144 0.66 1.0575 0.9928 1118937 Bionet2_000634 Clc1ncc(CN2CCN(CC2)c3ccccc3)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M19 compound treatment 0.245 0.0105 0.39 0.248 0.00636 0.29 0.4829 0.9893 1180215 Bionet2_000635 CC(C)(C)n1nc(c2ccc(F)cc2)c3c(N)ncnc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M20 compound treatment 0.252 0.0175 0.65 0.253 0.0114 0.52 0.8288 0.9937 1911554 Bionet2_000636 OC/1C2CCN(CC2)\C1=C/c3ccccc3C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M21 compound treatment 0.254 0.0195 0.73 0.253 0.0114 0.52 0.8814 0.9866 1911555 Bionet2_000637 COC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M22 compound treatment 0.254 0.0195 0.73 0.255 0.0134 0.61 0.9462 0.9963 1248523 Bionet2_000638 Fc1ccccc1Oc2ccccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M23 mock treatment 0.251 0.0165 0.61 0.254 0.0124 0.57 0.8349 0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 M24 mock treatment 0.233 -0.00147 -0.05 0.227 -0.0146 -0.67 -0.5127 -0.7621 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N01 compound treatment 0.226 -0.00847 -0.31 0.236 -0.00564 -0.26 -0.4054 -0.9952 1546166 Bionet2_000639 CC(=O)Nc1[nH]cc(C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N02 compound treatment 0.24 0.00553 0.21 0.241 -6.43E-4 -0.03 0.1247 0.5999 1911556 Bionet2_000640 FC(F)(F)c1ccc(CON2CCS(=O)(=O)CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N03 compound treatment 0.249 0.0145 0.54 0.25 0.00836 0.38 0.6528 0.9857 1911557 Bionet2_000641 OC(CNCc1ccccc1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N04 compound treatment 0.241 0.00653 0.24 0.245 0.00336 0.15 0.2805 0.9756 1911558 Bionet2_000642 Clc1ncc(COC(=O)c2ccccc2Cl)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N05 compound treatment 0.261 0.0265 0.99 0.253 0.0114 0.52 1.0656 0.9552 1060056 Bionet2_000643 OC(=O)CCCSc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N06 compound treatment 0.261 0.0265 0.99 0.254 0.0124 0.57 1.0979 0.9651 1911559 Bionet2_000644 COc1cnc(nc1Oc2ccc(Cl)cc2C)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N07 compound treatment 0.249 0.0145 0.54 0.244 0.00236 0.11 0.4586 0.8319 1911560 Bionet2_000645 Fc1ccccc1/C=C\2/C(OC(=O)c3ccccc3)C4CCN2CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N08 compound treatment 0.251 0.0165 0.61 0.247 0.00536 0.25 0.6083 0.9188 1911561 Bionet2_000646 Clc1ccc(CNC(=O)Cn2cnnc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N09 compound treatment 0.25 0.0155 0.58 0.249 0.00736 0.34 0.6467 0.967 1911562 Bionet2_000647 CCSc1ncc(CO)n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N10 compound treatment 0.256 0.0215 0.8 0.265 0.0234 1.07 1.3226 0.9899 1911563 Bionet2_000648 Cc1ccc(NC(=O)Cn2c(nc3ccccc23)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N11 compound treatment 0.253 0.0185 0.69 0.255 0.0134 0.61 0.9199 0.9982 1911564 Bionet2_000649 C(Sc1ccccc1)c2cc(no2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N12 compound treatment 0.254 0.0195 0.73 0.251 0.00936 0.43 0.8167 0.9683 1911565 Bionet2_000650 Cc1ccc(C)n1n2cnnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N13 compound treatment 0.26 0.0255 0.95 0.254 0.0124 0.57 1.0716 0.9694 1718863 Bionet2_000651 OC(=O)c1sccc1n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N14 compound treatment 0.256 0.0215 0.8 0.252 0.0104 0.47 0.9017 0.9687 1259363 Bionet2_000652 CCOC(=O)c1c(cn2ccccc12)c3cccc(N)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N15 compound treatment 0.258 0.0235 0.88 0.25 0.00836 0.38 0.8895 0.9311 1712048 Bionet2_000653 OC(=O)c1csc(Cc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N16 compound treatment 0.257 0.0225 0.84 0.253 0.0114 0.52 0.9603 0.9736 1911566 Bionet2_000654 C/C(=C/C(=O)c1ccccc1)/N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N17 compound treatment 0.253 0.0185 0.69 0.255 0.0134 0.61 0.9199 0.9982 1911567 Bionet2_000655 O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N18 compound treatment 0.251 0.0165 0.61 0.248 0.00636 0.29 0.6407 0.9416 1553441 Bionet2_000656 CCOC(=O)NC(C1CCc2ccccc2C1=O)c3ccccc3F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N19 compound treatment 0.253 0.0185 0.69 0.252 0.0104 0.47 0.8228 0.9833 1705595 Bionet2_000657 OC(=O)c1ccccc1N2Cc3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N20 compound treatment 0.252 0.0175 0.65 0.252 0.0104 0.47 0.7965 0.9878 1238663 Bionet2_000658 Fc1ccc(cc1)C(=O)c2c[nH]c(c2)C(=O)NCc3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N21 compound treatment 0.253 0.0185 0.69 0.253 0.0114 0.52 0.8551 0.9903 1460232 Bionet2_000659 OC(=O)C1CC=CCC1C(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N22 compound treatment 0.25 0.0155 0.58 0.247 0.00536 0.25 0.582 0.9272 1911568 Bionet2_000660 Cc1cc2ncc(c(c3ccccc3)n2n1)n4cncn4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N23 mock treatment 0.252 0.0175 0.65 0.25 0.00836 0.38 0.7317 0.9677 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 N24 mock treatment 0.209 -0.0255 -0.95 0.209 -0.0326 -1.49 -1.7267 -0.9758 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O01 compound treatment 0.201 -0.0335 -1.24 0.22 -0.0216 -0.99 -1.5809 -0.9936 1911569 Bionet2_000661 COc1ccc(cc1)C2CC2/C(=N/O)/c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O02 compound treatment 0.24 0.00553 0.21 0.245 0.00336 0.15 0.2542 0.9897 1911570 Bionet2_000662 CCC1CCC(CC1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O03 compound treatment 0.247 0.0125 0.47 0.245 0.00336 0.15 0.4383 0.893 1549837 Bionet2_000663 OCC(N1Cc2ccccc2C1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O04 compound treatment 0.247 0.0125 0.47 0.244 0.00236 0.11 0.406 0.8484 1911571 Bionet2_000664 O=C1CCCc2ccccc2N1Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O05 compound treatment 0.257 0.0225 0.84 0.256 0.0144 0.66 1.0575 0.9928 1911572 Bionet2_000665 Cc1ccc(/C=N/c2sccc2C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O06 compound treatment 0.258 0.0235 0.88 0.253 0.0114 0.52 0.9867 0.9691 1911573 Bionet2_000666 Oc1ccc(c(F)c1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O07 compound treatment 0.245 0.0105 0.39 0.243 0.00136 0.06 0.321 0.8091 1911574 Bionet2_000667 CC(C)(C)c1cc(c(C#N)c(O)n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O08 compound treatment 0.247 0.0125 0.47 0.247 0.00536 0.25 0.5031 0.955 1911575 Bionet2_000668 CC(=O)OCc1ccccc1Oc2cccc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O09 compound treatment 0.253 0.0185 0.69 0.245 0.00336 0.15 0.5961 0.8441 1911576 Bionet2_000669 Fc1ccc(cc1)n2nccc2c3cc(Cl)sc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O10 compound treatment 0.249 0.0145 0.54 0.236 -0.00564 -0.26 0.1995 0.3331 1579747 Bionet2_000670 CCOC(=O)c1c(O)c2cccc3CCn(c1=O)c32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O11 compound treatment 0.246 0.0115 0.43 0.237 -0.00464 -0.21 0.153 0.3196 1146048 Bionet2_000671 O=C(N1CCCc2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O12 compound treatment 0.245 0.0105 0.39 0.246 0.00436 0.2 0.4181 0.951 1911577 Bionet2_000672 COc1ccc(OC)c2[nH]c(nc12)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O13 compound treatment 0.254 0.0195 0.73 0.248 0.00636 0.29 0.7196 0.9194 1911578 Bionet2_000673 Clc1ncc(COc2ccc(C#N)cc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O14 compound treatment 0.242 0.00753 0.28 0.244 0.00236 0.11 0.2744 0.914 1911579 Bionet2_000674 OC(CNCc1ccc(Cl)cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O15 compound treatment 0.253 0.0185 0.69 0.255 0.0134 0.61 0.9199 0.9982 1606339 Bionet2_000675 N#CCOc1ccc2c(C#N)c3ccccn3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O16 compound treatment 0.253 0.0185 0.69 0.246 0.00436 0.2 0.6285 0.8758 1911580 Bionet2_000676 Cc1nc(cs1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O17 compound treatment 0.248 0.0135 0.5 0.242 3.57E-4 0.02 0.3675 0.7297 1911581 Bionet2_000677 Cc1ccc(CS(=O)(=O)c2nc[nH]n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O18 compound treatment 0.246 0.0115 0.43 0.247 0.00536 0.25 0.4768 0.9648 2281 Bionet2_000678 NC(=N)SCc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O19 compound treatment 0.253 0.0185 0.69 0.253 0.0114 0.52 0.8551 0.9903 1911582 Bionet2_000679 CCOC(=O)/C=C\1/C(=O)N(CC=C)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O20 compound treatment 0.246 0.0115 0.43 0.248 0.00636 0.29 0.5092 0.9821 1911583 Bionet2_000680 Nc1ccc(N2CCOCC2)c(Br)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O21 compound treatment 0.239 0.00453 0.17 0.241 -6.43E-4 -0.03 0.0984 0.575 1911584 Bionet2_000681 CCOC(=O)CC1C(=O)C=Nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O22 compound treatment 0.244 0.00953 0.35 0.25 0.00836 0.38 0.5213 0.9993 1911585 Bionet2_000682 Cc1ccc(cc1)C(=O)Nc2ncc(Cl)cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O23 mock treatment 0.242 0.00753 0.28 0.242 3.57E-4 0.02 0.2097 0.7471 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 O24 mock treatment 0.194 -0.0405 -1.51 0.194 -0.0476 -2.18 -2.6068 -0.9836 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P01 compound treatment 0.191 -0.0435 -1.62 0.179 -0.0626 -2.87 -3.1714 -0.9632 1643658 Bionet2_000683 Fc1cc(OC(=O)c2ccco2)ccc1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P02 compound treatment 0.201 -0.0335 -1.24 0.188 -0.0536 -2.46 -2.617 -0.9504 1911586 Bionet2_000684 COC(=O)Cc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P03 compound treatment 0.207 -0.0275 -1.02 0.213 -0.0286 -1.31 -1.6497 -0.9924 1365217 Bionet2_000685 COC(=O)c1cn(cn1)c2cccc(C)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P04 compound treatment 0.227 -0.00747 -0.28 0.232 -0.00964 -0.44 -0.5086 -0.975 1911587 Bionet2_000686 NNc1ccc(cn1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P05 compound treatment 0.202 -0.0325 -1.21 0.195 -0.0466 -2.14 -2.364 -0.9636 1911588 Bionet2_000687 FC(F)(F)c1ccccc1CN2CCS(=O)(=O)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P06 compound treatment 0.201 -0.0335 -1.24 0.199 -0.0426 -1.95 -2.2608 -0.9764 1911589 Bionet2_000688 CCOC(=O)c1cnn(c1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P07 compound treatment 0.199 -0.0355 -1.32 0.203 -0.0386 -1.77 -2.1839 -0.9895 1911590 Bionet2_000689 CC(NCC(O)C(F)(F)F)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P08 compound treatment 0.213 -0.0215 -0.8 0.213 -0.0286 -1.31 -1.4919 -0.9717 1911591 Bionet2_000690 Cc1ccc(cc1)c2ccnc(n2)c3ccc(O)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P09 compound treatment 0.243 0.00853 0.32 0.246 0.00436 0.2 0.3655 0.975 1097870 Bionet2_000691 Clc1ccc(CN2COc3c(C2)cc(Cl)c4cccnc34)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P10 compound treatment 0.219 -0.0155 -0.58 0.21 -0.0316 -1.45 -1.4313 -0.9181 1911592 Bionet2_000692 Cc1cccc(NC(=O)Cn2c(nc3ccccc23)C(F)(F)F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P11 compound treatment 0.241 0.00653 0.24 0.243 0.00136 0.06 0.2158 0.8602 1194912 Bionet2_000693 O=C(Cc1ccccc1)c2c[nH]c(c2)C(=O)NC3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P12 compound treatment 0.205 -0.0295 -1.1 0.203 -0.0386 -1.77 -2.0261 -0.9735 1911593 Bionet2_000694 Cc1ccc(C)n1NC(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P13 compound treatment 0.206 -0.0285 -1.06 0.214 -0.0276 -1.27 -1.6437 -0.9961 1911594 Bionet2_000695 CCOC(=O)c1c(C)nn(C)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P14 compound treatment 0.211 -0.0235 -0.87 0.207 -0.0346 -1.59 -1.7388 -0.9604 1911595 Bionet2_000696 CCc1cc(=O)[nH]c(SCc2ccc(C)cc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P15 compound treatment 0.219 -0.0155 -0.58 0.199 -0.0426 -1.95 -1.7874 -0.8781 1911596 Bionet2_000697 Clc1ccc(cc1)c2cnc(Oc3ccccc3)nc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P16 compound treatment 0.227 -0.00747 -0.28 0.22 -0.0216 -0.99 -0.8971 -0.8717 1612730 Bionet2_000698 CC(C)N1CCN(CC1)c2ccc(NC(=O)c3cccc(C)c3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P17 compound treatment 0.22 -0.0145 -0.54 0.219 -0.0226 -1.04 -1.1136 -0.9533 1377111 Bionet2_000699 CC(O)c1ccc(OCc2c(F)cccc2Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P18 compound treatment 0.252 0.0175 0.65 0.24 -0.00164 -0.08 0.408 0.6214 1074507 Bionet2_000700 COc1ccc2[nH]c(cc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P19 compound treatment 0.202 -0.0325 -1.21 0.193 -0.0486 -2.23 -2.4288 -0.9587 1911597 Bionet2_000701 O=C1C2CC=CCC2C(=O)N1CCC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P20 compound treatment 0.204 -0.0305 -1.13 0.194 -0.0476 -2.18 -2.3438 -0.9535 1311050 Bionet2_000702 Fc1ccc(cc1)C(=O)c2c[nH]c(c2)C(=O)NCc3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P21 compound treatment 0.221 -0.0135 -0.5 0.187 -0.0546 -2.5 -2.1233 -0.8322 1911598 Bionet2_000703 FC(F)(F)c1cc(Nc2ccccc2C#N)ccn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P22 compound treatment 0.197 -0.0375 -1.39 0.197 -0.0446 -2.04 -2.4308 -0.9826 1911599 Bionet2_000704 O=C(NCc1cccs1)/C(=C/c2cccs2)/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P23 mock treatment 0.183 -0.0515 -1.91 0.186 -0.0556 -2.55 -3.1551 -0.9901 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1365 P24 mock treatment 0.186 -0.0485 -1.8 0.192 -0.0496 -2.27 -2.882 -0.9934 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A01 compound treatment 0.168 -0.0733 -2.73 0.176 -0.0622 -2.85 -3.9428 -0.9998 1185045 Bionet2_000705 O=C(N1CCOCC1)c2cnc(nc2c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A02 compound treatment 0.201 -0.0403 -1.5 0.201 -0.0372 -1.7 -2.2654 -0.998 1911600 Bionet2_000706 CCCNC(=O)c1cc(Cl)cc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A03 compound treatment 0.224 -0.0173 -0.64 0.213 -0.0252 -1.15 -1.272 -0.9622 1661792 Bionet2_000707 CC1N(C(=O)c2ccccc2)c3ccccc3NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A04 compound treatment 0.239 -0.00233 -0.09 0.234 -0.00421 -0.19 -0.1976 -0.9352 1911601 Bionet2_000708 FC(F)(F)c1nc2ccccc2nc1NCc3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A05 compound treatment 0.215 -0.0263 -0.98 0.21 -0.0282 -1.29 -1.6058 -0.9907 1215538 Bionet2_000709 CC1N(C(=O)C2CC2)c3ccccc3NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A06 compound treatment 0.23 -0.0113 -0.42 0.234 -0.00421 -0.19 -0.4343 -0.937 1727894 Bionet2_000710 C(Sc1ccccc1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A07 compound treatment 0.22 -0.0213 -0.79 0.215 -0.0232 -1.06 -1.3124 -0.9897 1911602 Bionet2_000711 FC(F)(F)c1cnc(N2CCC(=O)CC2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A08 compound treatment 0.218 -0.0233 -0.87 0.222 -0.0162 -0.74 -1.1384 -0.997 1911603 Bionet2_000712 FC(F)(F)c1cnc(Oc2ccccc2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A09 compound treatment 0.231 -0.0103 -0.38 0.207 -0.0312 -1.43 -1.2821 -0.8665 1911604 Bionet2_000713 FC(F)(F)c1cnc(c(Cl)c1)C(C#N)(N2CCOCC2)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A10 compound treatment 0.238 -0.00333 -0.12 0.224 -0.0142 -0.65 -0.5476 -0.827 1911605 Bionet2_000714 Clc1cc2nc([nH]c2cc1Cl)c3ccc(=O)[nH]c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A11 compound treatment 0.233 -0.00833 -0.31 0.23 -0.00821 -0.38 -0.4849 -0.9954 1911606 Bionet2_000715 NC(=O)C(c1ccc(F)cc1)c2ccc(cc2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A12 compound treatment 0.245 0.00367 0.14 0.225 -0.0132 -0.6 -0.3312 -0.5342 1431993 Bionet2_000716 CNC1C(CO)COc2c(OC)cccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A13 compound treatment 0.229 -0.0123 -0.46 0.229 -0.00921 -0.42 -0.6225 -0.9991 1911607 Bionet2_000717 CN(C)C(=O)c1cccn1c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A14 compound treatment 0.236 -0.00533 -0.2 0.226 -0.0122 -0.56 -0.5355 -0.9029 1911608 Bionet2_000718 NC(=O)c1ncc(cc1SCc2ccc(Cl)cc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A15 compound treatment 0.228 -0.0133 -0.5 0.224 -0.0142 -0.65 -0.8106 -0.991 1251524 Bionet2_000719 NC(=O)C(c1ccccc1)c2ccc(cc2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A16 compound treatment 0.236 -0.00533 -0.2 0.234 -0.00421 -0.19 -0.2765 -0.9999 1911609 Bionet2_000720 FC(F)(F)c1c(C#N)cnn1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A17 compound treatment 0.212 -0.0293 -1.09 0.223 -0.0152 -0.7 -1.2638 -0.9765 1911610 Bionet2_000721 [O-][n+]1ccccc1Sc2nnc(Cc3ccccc3)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A18 compound treatment 0.226 -0.0153 -0.57 0.219 -0.0192 -0.88 -1.0251 -0.978 1405187 Bionet2_000722 C=CCNC(=O)C1CCN(CC1)c2ncccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A19 compound treatment 0.221 -0.0203 -0.76 0.225 -0.0132 -0.6 -0.9624 -0.9939 1332134 Bionet2_000723 NOCC(=O)N1CCOCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A20 compound treatment 0.227 -0.0143 -0.53 0.226 -0.0122 -0.56 -0.7722 -0.9997 1911611 Bionet2_000724 O=C1CCCN1c2ncccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A21 compound treatment 0.223 -0.0183 -0.68 0.231 -0.00721 -0.33 -0.7155 -0.9445 1911612 Bionet2_000725 CSc1ncc(cn1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A22 compound treatment 0.236 -0.00533 -0.2 0.223 -0.0152 -0.7 -0.6326 -0.8738 1433879 Bionet2_000726 OC(=O)CN1Cc2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A23 mock treatment 0.225 -0.0163 -0.61 0.206 -0.0322 -1.47 -1.4723 -0.9231 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 A24 mock treatment 0.182 -0.0593 -2.21 0.184 -0.0542 -2.48 -3.3155 -0.9983 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B01 compound treatment 0.243 0.00167 0.06 0.199 -0.0392 -1.8 -1.2255 -0.6823 1667566 Bionet2_000727 Clc1ccccc1NC(=O)CC(=O)Nc2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B02 compound treatment 0.252 0.0107 0.4 0.251 0.0128 0.59 0.6947 0.982 1911613 Bionet2_000728 Clc1ccc(CC(=O)NCCSc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B03 compound treatment 0.265 0.0237 0.88 0.256 0.0178 0.81 1.1985 0.9993 1136659 Bionet2_000729 COc1ccc(cc1)c2cc(n[nH]2)C3CCNCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B04 compound treatment 0.257 0.0157 0.58 0.253 0.0148 0.68 0.891 0.9972 1911614 Bionet2_000730 OCCCc1c[nH]nc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B05 compound treatment 0.256 0.0147 0.55 0.253 0.0148 0.68 0.8647 0.9942 1134786 Bionet2_000731 Cc1onc(c1C(=O)NCC=C)c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B06 compound treatment 0.252 0.0107 0.4 0.25 0.0118 0.54 0.6624 0.9885 1197198 Bionet2_000732 OC(=O)Cc1cn(Cc2ccc(F)cc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B07 compound treatment 0.254 0.0127 0.47 0.248 0.00979 0.45 0.6502 0.9997 1911615 Bionet2_000733 FC(F)(F)c1cccc(c1)c2nc(no2)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B08 compound treatment 0.262 0.0207 0.77 0.257 0.0188 0.86 1.152 0.9984 1708823 Bionet2_000734 OCc1cccnc1Sc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B09 compound treatment 0.284 0.0427 1.59 0.284 0.0458 2.1 2.6048 0.9906 1911616 Bionet2_000735 c1snnc1c2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B10 compound treatment 0.254 0.0127 0.47 0.253 0.0148 0.68 0.8121 0.9843 1025707 Bionet2_000736 BrCC(=O)c1ccc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B11 compound treatment 0.252 0.0107 0.4 0.25 0.0118 0.54 0.6624 0.9885 1911617 Bionet2_000737 FC(F)(F)c1cnc(NCCn2c(=O)c(=O)[nH]c3cccc(Cl)c23)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B12 compound treatment 0.253 0.0117 0.43 0.253 0.0148 0.68 0.7858 0.9768 1911618 Bionet2_000738 CCOC(=O)Oc1cc(N)c(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B13 compound treatment 0.256 0.0147 0.55 0.255 0.0168 0.77 0.9294 0.9859 1911619 Bionet2_000739 Cc1c(Cl)cccc1N2CC(C)(C)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B14 compound treatment 0.265 0.0237 0.88 0.262 0.0238 1.09 1.3928 0.9944 1311802 Bionet2_000740 Cc1cc([nH]c(=O)c1S(=O)(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B15 compound treatment 0.254 0.0127 0.47 0.253 0.0148 0.68 0.8121 0.9843 1444188 Bionet2_000741 CC1(C)CN(C1=O)c2ccc(cc2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B16 compound treatment 0.257 0.0157 0.58 0.256 0.0178 0.81 0.9881 0.9865 1237794 Bionet2_000742 CCOC(=O)C1=C(C)NC(=O)CC1c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B17 compound treatment 0.263 0.0217 0.81 0.262 0.0238 1.09 1.3402 0.989 1489840 Bionet2_000743 CC(=O)Nc1ccc(cc1)N2CC(C)(C)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B18 compound treatment 0.262 0.0207 0.77 0.256 0.0178 0.81 1.1196 0.9996 1911620 Bionet2_000744 Cc1cccc(/N=C/2\C(=O)N(c3ccccc23)c4ccccc4)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B19 compound treatment 0.252 0.0107 0.4 0.249 0.0108 0.49 0.63 0.9941 1911621 Bionet2_000745 CCOc1cnc(o1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B20 compound treatment 0.253 0.0117 0.43 0.255 0.0168 0.77 0.8505 0.9633 1911622 Bionet2_000746 Cc1ccc(/N=C/2\C(=O)N(CC=C)c3ccccc23)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B21 compound treatment 0.252 0.0107 0.4 0.254 0.0158 0.72 0.7919 0.9601 1911623 Bionet2_000747 Nc1nc(cs1)c2sccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B22 compound treatment 0.274 0.0327 1.22 0.271 0.0328 1.5 1.9209 0.9945 1911624 Bionet2_000748 O=C(/C=C/C=C/c1ccco1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B23 mock treatment 0.251 0.00967 0.36 0.249 0.0108 0.49 0.6037 0.9878 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 B24 mock treatment 0.238 -0.00333 -0.12 0.235 -0.00321 -0.15 -0.1915 -0.9965 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C01 compound treatment 0.214 -0.0273 -1.02 0.21 -0.0282 -1.29 -1.6321 -0.993 1417116 Bionet2_000749 CN(C)C(=O)c1cnc(nc1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C02 compound treatment 0.241 -3.33E-4 -0.01 0.239 7.93E-4 0.04 0.0169 0.4407 1014160 Bionet2_000750 CC(C)C(=O)Nc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C03 compound treatment 0.234 -0.00733 -0.27 0.234 -0.00421 -0.19 -0.3291 -0.9855 1911625 Bionet2_000751 FC(F)(F)c1cccc(c1)c2nnnn2c3cccc(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C04 compound treatment 0.304 0.0627 2.33 0.295 0.0568 2.6 3.4869 0.9985 1911626 Bionet2_000752 CN(N)c1nc2ccccc2nc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C05 compound treatment 0.24 -0.00133 -0.05 0.238 -2.07E-4 -0.01 -0.0418 -0.8272 1205172 Bionet2_000753 Cc1[nH]c(=O)c(C#N)cc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C06 compound treatment 0.252 0.0107 0.4 0.248 0.00979 0.45 0.5976 0.9981 1275385 Bionet2_000754 CC(C)(C)c1cc(c(C#N)c(N)n1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C07 compound treatment 0.249 0.00767 0.29 0.244 0.00579 0.27 0.3892 0.9993 1911627 Bionet2_000755 O/N=C/c1c(OCC=C)ccc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C08 compound treatment 0.27 0.0287 1.07 0.272 0.0338 1.55 1.8481 0.9835 1911628 Bionet2_000756 FC(F)(F)c1cnc2c(onc2c1)c3ccc(Cl)cc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C09 compound treatment 0.242 6.67E-4 0.02 0.238 -2.07E-4 -0.01 0.0108 0.4082 1911629 Bionet2_000757 Cc1cc(C)n(n1)C2CCS(=O)(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C10 compound treatment 0.243 0.00167 0.06 0.242 0.00379 0.17 0.1666 0.9037 1911630 Bionet2_000758 Cc1ccc(cc1)S(=O)(=O)c2c(CO)c(nn2C)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C11 compound treatment 0.239 -0.00233 -0.09 0.239 7.93E-4 0.04 -0.0357 -0.3794 1911631 Bionet2_000759 Cn1cccc1C(C#N)c2cccc(F)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C12 compound treatment 0.246 0.00467 0.17 0.245 0.00679 0.31 0.3427 0.962 1285814 Bionet2_000760 NC1C(CO)COc2ccc3ccccc3c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C13 compound treatment 0.242 6.67E-4 0.02 0.239 7.93E-4 0.04 0.0432 0.9827 1911632 Bionet2_000761 NC(=O)c1cccn1c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C14 compound treatment 0.244 0.00267 0.1 0.241 0.00279 0.13 0.1606 0.9921 1911633 Bionet2_000762 Cc1cc(Cl)ccc1Oc2cc(cnc2C#N)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C15 compound treatment 0.239 -0.00233 -0.09 0.24 0.00179 0.08 -0.0033 -0.0277 1911634 Bionet2_000763 Fc1cccc(C(C#N)c2ccc(Cl)cc2Cl)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C16 compound treatment 0.246 0.00467 0.17 0.242 0.00379 0.17 0.2455 1.0 1150439 Bionet2_000764 CC(C)(C)C1=C(C#N)C(CC(=O)N1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C17 compound treatment 0.293 0.0517 1.92 0.29 0.0518 2.37 3.0358 0.9946 1911635 Bionet2_000765 O=c1c(cnc2sc3ccccc3n12)c4ccn[nH]4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C18 compound treatment 0.266 0.0247 0.92 0.263 0.0248 1.14 1.4515 0.9944 1151100 Bionet2_000766 O=C1CC(CC(=O)C1CS(=O)(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C19 compound treatment 0.241 -3.33E-4 -0.01 0.243 0.00479 0.22 0.1464 0.6661 1142660 Bionet2_000767 COc1ccccc1NC(=O)CON 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C20 compound treatment 0.241 -3.33E-4 -0.01 0.239 7.93E-4 0.04 0.0169 0.4407 1127981 Bionet2_000768 Clc1ccc(C(=O)c2ccc(CC#N)s2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C21 compound treatment 0.243 0.00167 0.06 0.24 0.00179 0.08 0.1019 0.9904 1911636 Bionet2_000769 C=CCSc1ncc(cn1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C22 compound treatment 0.242 6.67E-4 0.02 0.24 0.00179 0.08 0.0756 0.8814 1241924 Bionet2_000770 CCCN(CCC)c1cc(Cl)nc(N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C23 mock treatment 0.237 -0.00433 -0.16 0.235 -0.00321 -0.15 -0.2178 -0.9989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 C24 mock treatment 0.219 -0.0223 -0.83 0.199 -0.0392 -1.8 -1.8568 -0.9387 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D01 compound treatment 0.243 0.00167 0.06 0.235 -0.00321 -0.15 -0.06 -0.3764 1322387 Bionet2_000771 Fc1ccc(NC(=O)CC(=O)Nc2ccc(F)cc2F)c(F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D02 compound treatment 0.252 0.0107 0.4 0.251 0.0128 0.59 0.6947 0.982 1157641 Bionet2_000772 CCOC(=O)c1cc(C#N)c(=O)[nH]c1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D03 compound treatment 0.267 0.0257 0.95 0.267 0.0288 1.32 1.6073 0.9874 1650034 Bionet2_000773 Clc1ccc(c2cc([nH]n2)C3CCNCC3)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D04 compound treatment 0.251 0.00967 0.36 0.25 0.0118 0.54 0.6361 0.9805 1911637 Bionet2_000774 Nc1ccccc1NC2=CC(=O)CC(C2)c3c(F)cccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D05 compound treatment 0.25 0.00867 0.32 0.25 0.0118 0.54 0.6098 0.9696 1168412 Bionet2_000775 Clc1cccc(Cl)c1c2nocc2C(=O)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D06 compound treatment 0.255 0.0137 0.51 0.254 0.0158 0.72 0.8708 0.9851 1374440 Bionet2_000776 OC(=O)Cc1cn(c2ccc(Cl)nn2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D07 compound treatment 0.254 0.0127 0.47 0.252 0.0138 0.63 0.7797 0.9896 1911638 Bionet2_000777 NC(C(=O)O)c1ccsc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D08 compound treatment 0.249 0.00767 0.29 0.248 0.00979 0.45 0.5187 0.9761 1911639 Bionet2_000778 Cn1nc(CSc2ccccc2)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D09 compound treatment 0.27 0.0287 1.07 0.272 0.0338 1.55 1.8481 0.9835 1098138 Bionet2_000779 c1snnc1c2ccc(cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D10 compound treatment 0.254 0.0127 0.47 0.253 0.0148 0.68 0.8121 0.9843 1292550 Bionet2_000780 NCC(O)c1ccc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D11 compound treatment 0.246 0.00467 0.17 0.246 0.00779 0.36 0.375 0.9452 1911640 Bionet2_000781 COC(=O)CCCNc1ccc(cc1N)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D12 compound treatment 0.25 0.00867 0.32 0.25 0.0118 0.54 0.6098 0.9696 1911641 Bionet2_000782 OC(=O)/C=C(\C#N)/c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D13 compound treatment 0.251 0.00967 0.36 0.248 0.00979 0.45 0.5713 0.994 1911642 Bionet2_000783 Cc1cc(C)cc(c1)N2CC(C)(C)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D14 compound treatment 0.253 0.0117 0.43 0.251 0.0128 0.59 0.721 0.9891 1348303 Bionet2_000784 Cc1ccc(cc1)S(=O)(=O)c2c(C)cc(C)[nH]c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D15 compound treatment 0.25 0.00867 0.32 0.25 0.0118 0.54 0.6098 0.9696 1911643 Bionet2_000785 CC1(C)CN(C1=O)c2ccc(I)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D16 compound treatment 0.265 0.0237 0.88 0.262 0.0238 1.09 1.3928 0.9944 1911644 Bionet2_000786 CCOC(=O)C1=C(C)NC(=O)CC1c2ccccc2C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D17 compound treatment 0.272 0.0307 1.14 0.272 0.0338 1.55 1.9007 0.9887 1911645 Bionet2_000787 Nc1ccc(Sc2cccc(c2)C(F)(F)F)c(C#N)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D18 compound treatment 0.258 0.0167 0.62 0.258 0.0198 0.91 1.0792 0.9828 1911646 Bionet2_000788 CCOc1ccc(/N=C/2\C(=O)N(c3ccccc23)c4ccccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D19 compound treatment 0.255 0.0137 0.51 0.254 0.0158 0.72 0.8708 0.9851 1911647 Bionet2_000789 Oc1cc(=O)sc(n1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D20 compound treatment 0.257 0.0157 0.58 0.255 0.0168 0.77 0.9557 0.9906 1911648 Bionet2_000790 CN1C(=O)/C(=N/c2ccc(C)cc2)/c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D21 compound treatment 0.251 0.00967 0.36 0.251 0.0128 0.59 0.6684 0.9725 1911649 Bionet2_000791 O=C(N/C=C/c1ccco1)OCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D22 compound treatment 0.248 0.00667 0.25 0.246 0.00779 0.36 0.4277 0.9842 1346525 Bionet2_000792 CC(=O)Nc1ccc(I)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D23 mock treatment 0.25 0.00867 0.32 0.25 0.0118 0.54 0.6098 0.9696 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 D24 mock treatment 0.236 -0.00533 -0.2 0.233 -0.00521 -0.24 -0.3089 -0.9958 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E01 compound treatment 0.285 0.0437 1.62 0.222 -0.0162 -0.74 0.6238 0.3493 1041337 Bionet2_000793 Clc1ccc(OCCBr)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E02 compound treatment 0.252 0.0107 0.4 0.252 0.0138 0.63 0.7271 0.9749 1911650 Bionet2_000794 Clc1cccc(c1)c2nnnn2CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E03 compound treatment 0.249 0.00767 0.29 0.249 0.0108 0.49 0.5511 0.9659 1911651 Bionet2_000795 Brc1ccc(cc1)S(=O)(=O)CCNC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E04 compound treatment 0.255 0.0137 0.51 0.254 0.0158 0.72 0.8708 0.9851 1911652 Bionet2_000796 Oc1nc2ccccc2nc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E05 compound treatment 0.251 0.00967 0.36 0.25 0.0118 0.54 0.6361 0.9805 1639658 Bionet2_000797 CCCn1cnc2c(N)c(C)c(C)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E06 compound treatment 0.266 0.0247 0.92 0.263 0.0248 1.14 1.4515 0.9944 1128775 Bionet2_000798 Cc1nc2cc(Cl)ccc2c(=O)n1c3nc4ccccc4[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E07 compound treatment 0.251 0.00967 0.36 0.25 0.0118 0.54 0.6361 0.9805 1650032 Bionet2_000799 COc1cccc2[C@H]3[C@H](CON3C)COc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E08 compound treatment 0.257 0.0157 0.58 0.259 0.0208 0.95 1.0853 0.9722 1574950 Bionet2_000800 CCOC(=O)c1[nH]c2ccccc2c1n3cccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E09 compound treatment 0.251 0.00967 0.36 0.25 0.0118 0.54 0.6361 0.9805 1911653 Bionet2_000801 FC(F)(F)c1cc(c2ccc3nnnn3c2n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E10 compound treatment 0.258 0.0167 0.62 0.255 0.0168 0.77 0.982 0.9943 1911654 Bionet2_000802 CN(C)S(=O)(=O)c1c(C)nn(C)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E11 compound treatment 0.252 0.0107 0.4 0.251 0.0128 0.59 0.6947 0.982 1911655 Bionet2_000803 Fc1cccc(C(C#N)c2cccs2)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E12 compound treatment 0.344 0.103 3.82 0.359 0.121 5.53 6.6111 0.9836 1911656 Bionet2_000804 Fc1ccc(cc1)c2onc3ccc(cc23)c4cc[nH]n4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E13 compound treatment 0.327 0.0857 3.19 0.327 0.0888 4.07 5.1279 0.9927 1911657 Bionet2_000805 Nc1nc(Br)c2c(F)cccc2c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E14 compound treatment 0.249 0.00767 0.29 0.249 0.0108 0.49 0.5511 0.9659 1911658 Bionet2_000806 Oc1ccc(Oc2cc(cnc2C#N)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E15 compound treatment 0.266 0.0247 0.92 0.275 0.0368 1.68 1.84 0.9592 1225558 Bionet2_000807 O=C(c1ccccc1)c2ccc(cc2)C(C#N)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E16 compound treatment 0.257 0.0157 0.58 0.256 0.0178 0.81 0.9881 0.9865 1911659 Bionet2_000808 COC(=O)C(CC(=O)c1ccc(Br)cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E17 compound treatment 0.261 0.0197 0.73 0.261 0.0228 1.04 1.2552 0.9849 1911660 Bionet2_000809 O=C1N(Cc2ccccc2)Cc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E18 compound treatment 0.27 0.0287 1.07 0.267 0.0288 1.32 1.6862 0.9945 1911661 Bionet2_000810 FC(F)(F)c1cnc(c(Cl)c1)n2ccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E19 compound treatment 0.328 0.0867 3.22 0.33 0.0918 4.2 5.2513 0.9914 1618454 Bionet2_000811 Oc1ccc(cc1)c2cc3C(=O)c4ccccc4-c3nn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E20 compound treatment 0.255 0.0137 0.51 0.252 0.0138 0.63 0.806 0.9942 1911662 Bionet2_000812 ClCCCC(=O)Nc1ccc(Cl)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E21 compound treatment 0.255 0.0137 0.51 0.271 0.0328 1.5 1.4212 0.8965 1280821 Bionet2_000813 COC(=O)c1ccc2OCc3ccccc3C(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E22 compound treatment 0.252 0.0107 0.4 0.25 0.0118 0.54 0.6624 0.9885 1911663 Bionet2_000814 CCN(CC)c1cc(Cl)nc(N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E23 mock treatment 0.25 0.00867 0.32 0.245 0.00679 0.31 0.4479 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 E24 mock treatment 0.242 6.67E-4 0.02 0.232 -0.00621 -0.28 -0.1834 -0.643 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F01 compound treatment 0.259 0.0177 0.66 0.226 -0.0122 -0.56 0.0694 0.0805 1911664 Bionet2_000815 Cn1nc(c(C(O)c2cccs2)c1Cl)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F02 compound treatment 0.258 0.0167 0.62 0.255 0.0168 0.77 0.982 0.9943 1605697 Bionet2_000816 CSc1cc([nH]c(=O)c1C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F03 compound treatment 0.253 0.0117 0.43 0.252 0.0138 0.63 0.7534 0.9832 1521922 Bionet2_000817 Clc1ccc(c2cc(n[nH]2)C3CCN(CC#N)CC3)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F04 compound treatment 0.258 0.0167 0.62 0.257 0.0188 0.86 1.0468 0.9871 1911665 Bionet2_000818 Cc1cc2ncc(cn2n1)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F05 compound treatment 0.256 0.0147 0.55 0.257 0.0188 0.86 0.9942 0.9758 1283933 Bionet2_000819 COc1ccccc1C(=O)NC(C)(C)CO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F06 compound treatment 0.259 0.0177 0.66 0.256 0.0178 0.81 1.0407 0.9943 1911666 Bionet2_000820 FC(F)(F)c1cnc(ON2C(=O)CCC2=O)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F07 compound treatment 0.258 0.0167 0.62 0.256 0.0178 0.81 1.0144 0.9909 1911667 Bionet2_000821 NC(C(=O)O)c1ccccc1F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F08 compound treatment 0.255 0.0137 0.51 0.258 0.0198 0.91 1.0003 0.9626 1911668 Bionet2_000822 Cn1nc(CSc2ccc(Cl)cc2)c(CO)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F09 compound treatment 0.262 0.0207 0.77 0.262 0.0238 1.09 1.3139 0.9854 1911669 Bionet2_000823 Oc1ccccc1c2csnn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F10 compound treatment 0.254 0.0127 0.47 0.253 0.0148 0.68 0.8121 0.9843 1667231 Bionet2_000824 OC(CNC(=O)c1c(F)cccc1F)c2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F11 compound treatment 0.257 0.0157 0.58 0.256 0.0178 0.81 0.9881 0.9865 1911670 Bionet2_000825 Fc1ccc(SCC(=O)NCCSc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F12 compound treatment 0.258 0.0167 0.62 0.257 0.0188 0.86 1.0468 0.9871 1911671 Bionet2_000826 OC(=O)/C=C(\C#N)/c1cccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F13 compound treatment 0.258 0.0167 0.62 0.257 0.0188 0.86 1.0468 0.9871 1454325 Bionet2_000827 CC1(C)CN(C1=O)c2ccc(Cl)cc2C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F14 compound treatment 0.25 0.00867 0.32 0.25 0.0118 0.54 0.6098 0.9696 1911672 Bionet2_000828 CC1=C(C#N)/C(=C/Nc2ccc(F)cc2)/CC(=O)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F15 compound treatment 0.262 0.0207 0.77 0.261 0.0228 1.04 1.2815 0.9887 1911673 Bionet2_000829 COC(=O)c1ccccc1N2CC(C)(C)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F16 compound treatment 0.261 0.0197 0.73 0.26 0.0218 1.0 1.2228 0.9883 1143091 Bionet2_000830 CC(C)Oc1cc(N2C(=O)CSCC2=O)c(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F17 compound treatment 0.273 0.0317 1.18 0.271 0.0328 1.5 1.8946 0.9928 1911674 Bionet2_000831 O=S(Cc1cc(Sc2ccccc2)nc(n1)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F18 compound treatment 0.266 0.0247 0.92 0.265 0.0268 1.23 1.5162 0.9898 1911675 Bionet2_000832 Cc1noc(C)c1CSc2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F19 compound treatment 0.262 0.0207 0.77 0.261 0.0228 1.04 1.2815 0.9887 1911676 Bionet2_000833 CC(C)c1ccc(cc1)c2nc(O)cc(=O)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F20 compound treatment 0.25 0.00867 0.32 0.249 0.0108 0.49 0.5774 0.9786 1911677 Bionet2_000834 Nc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F21 compound treatment 0.268 0.0267 0.99 0.266 0.0278 1.27 1.6012 0.9924 1911678 Bionet2_000835 COc1ccc(COC(=O)N/C=C/c2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F22 compound treatment 0.258 0.0167 0.62 0.256 0.0178 0.81 1.0144 0.9909 1911679 Bionet2_000836 CC(C)c1ccc(/C=C/C(=O)CCC(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F23 mock treatment 0.253 0.0117 0.43 0.252 0.0138 0.63 0.7534 0.9832 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 F24 mock treatment 0.244 0.00267 0.1 0.224 -0.0142 -0.65 -0.3898 -0.5924 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G01 compound treatment 0.235 -0.00633 -0.24 0.215 -0.0232 -1.06 -0.9179 -0.8434 1010293 Bionet2_000837 OC(=O)CCSc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G02 compound treatment 0.25 0.00867 0.32 0.249 0.0108 0.49 0.5774 0.9786 1911680 Bionet2_000838 CC(C)C(=O)Nc1cc(Cl)cc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G03 compound treatment 0.247 0.00567 0.21 0.246 0.00779 0.36 0.4014 0.9685 1911681 Bionet2_000839 FC(F)(F)c1cnc(c(Cl)c1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G04 compound treatment 0.273 0.0317 1.18 0.268 0.0298 1.36 1.7975 0.9973 1911682 Bionet2_000840 FC(F)(F)c1ccc(cc1)c2noc(n2)c3ccc(Cl)nc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G05 compound treatment 0.252 0.0107 0.4 0.251 0.0128 0.59 0.6947 0.982 1911683 Bionet2_000841 Cc1nc(Cl)c(C#N)cc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G06 compound treatment 0.26 0.0187 0.69 0.258 0.0198 0.91 1.1318 0.9913 1911684 Bionet2_000842 Cc1nc2cc(Cl)ccc2c(=O)n1c3nc[nH]n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G07 compound treatment 0.251 0.00967 0.36 0.249 0.0108 0.49 0.6037 0.9878 1911685 Bionet2_000843 C/C(=N/O)/c1cn(c(C)n1)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G08 compound treatment 0.254 0.0127 0.47 0.252 0.0138 0.63 0.7797 0.9896 1911686 Bionet2_000844 Cc1nn(c(C)c1CS(=O)(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G09 compound treatment 0.276 0.0347 1.29 0.282 0.0438 2.01 2.3296 0.9772 1742992 Bionet2_000845 COc1ccc(cc1)N2CC(=CC2=O)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G10 compound treatment 0.256 0.0147 0.55 0.252 0.0138 0.63 0.8323 0.9973 1489570 Bionet2_000846 Clc1ncccc1C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G11 compound treatment 0.245 0.00367 0.14 0.251 0.0128 0.59 0.5106 0.849 1911687 Bionet2_000847 O/N=C/c1cccn1c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G12 compound treatment 0.27 0.0287 1.07 0.268 0.0298 1.36 1.7186 0.9926 1221254 Bionet2_000848 COc1ccccc1c2c(C#N)c(C)nc(C)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G13 compound treatment 0.255 0.0137 0.51 0.256 0.0178 0.81 0.9355 0.9742 1911688 Bionet2_000849 COC(=O)/C=C/c1cc2ccccc2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G14 compound treatment 0.263 0.0217 0.81 0.259 0.0208 0.95 1.2431 0.9966 1911689 Bionet2_000850 FC(F)(F)c1cnc(C#N)c(OCc2ccccc2Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G15 compound treatment 0.247 0.00567 0.21 0.244 0.00579 0.27 0.3366 0.9935 1668220 Bionet2_000851 O=C1NC(=O)c2ccccc2C1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G16 compound treatment 0.257 0.0157 0.58 0.258 0.0198 0.91 1.0529 0.9772 1385271 Bionet2_000852 OC(=O)C(CC(=O)c1ccccc1)c2cccc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G17 compound treatment 0.262 0.0207 0.77 0.259 0.0208 0.95 1.2168 0.9944 1715190 Bionet2_000853 COC(=O)CSc1cccc2C(CC(=O)c21)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G18 compound treatment 0.258 0.0167 0.62 0.254 0.0158 0.72 0.9497 0.9971 1911690 Bionet2_000854 FC(F)(F)c1cnc(c(Cl)c1)n2cc(C3OCCO3)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G19 compound treatment 0.255 0.0137 0.51 0.254 0.0158 0.72 0.8708 0.9851 1911691 Bionet2_000855 Cc1ccc(o1)c2ccnc3nc(nn23)n4cccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G20 compound treatment 0.256 0.0147 0.55 0.254 0.0158 0.72 0.8971 0.9903 1911692 Bionet2_000856 C/C(=N\O)/c1ccccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G21 compound treatment 0.256 0.0147 0.55 0.253 0.0148 0.68 0.8647 0.9942 1911693 Bionet2_000857 Clc1ccc(cc1)C(Sc2ccccc2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G22 compound treatment 0.254 0.0127 0.47 0.251 0.0128 0.59 0.7473 0.9942 1145602 Bionet2_000858 O=C(CC(=O)Nc1ccccn1)Nc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G23 mock treatment 0.244 0.00267 0.1 0.248 0.00979 0.45 0.3872 0.8431 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 G24 mock treatment 0.243 0.00167 0.06 0.239 7.93E-4 0.04 0.0695 0.9675 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H01 compound treatment 0.242 6.67E-4 0.02 0.233 -0.00521 -0.24 -0.151 -0.6302 1911694 Bionet2_000859 FC(F)(F)c1ccccc1/C=C/2\N3CCC(CC3)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H02 compound treatment 0.252 0.0107 0.4 0.25 0.0118 0.54 0.6624 0.9885 1505872 Bionet2_000860 C=CCNC(=O)c1ccccc1Sc2ccccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H03 compound treatment 0.253 0.0117 0.43 0.254 0.0158 0.72 0.8182 0.9702 1911695 Bionet2_000861 CCOC(=O)CN1CCC(CC1)c2cc([nH]n2)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H04 compound treatment 0.251 0.00967 0.36 0.254 0.0158 0.72 0.7656 0.948 1911696 Bionet2_000862 Cc1noc(C)c1Cc2c(Cl)cccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H05 compound treatment 0.255 0.0137 0.51 0.252 0.0138 0.63 0.806 0.9942 1911697 Bionet2_000863 Fc1cccc(n1)N2CCC(=O)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H06 compound treatment 0.25 0.00867 0.32 0.248 0.00979 0.45 0.545 0.9869 1911698 Bionet2_000864 C1Cc2cnc(nc2-c3ccccc13)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H07 compound treatment 0.263 0.0217 0.81 0.261 0.0228 1.04 1.3078 0.9918 1911699 Bionet2_000865 Oc1ccc(cc1)c2csnn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H08 compound treatment 0.252 0.0107 0.4 0.249 0.0108 0.49 0.63 0.9941 1911700 Bionet2_000866 Cc1nc(O)cc(CSc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H09 compound treatment 0.258 0.0167 0.62 0.259 0.0208 0.95 1.1116 0.9784 1911701 Bionet2_000867 Fc1ccc(cc1)c2csnn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H10 compound treatment 0.257 0.0157 0.58 0.254 0.0158 0.72 0.9234 0.9943 1911702 Bionet2_000868 c1cc(n[nH]1)c2cnc(s2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H11 compound treatment 0.256 0.0147 0.55 0.254 0.0158 0.72 0.8971 0.9903 1023418 Bionet2_000869 CC(=C)C(=O)Nc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H12 compound treatment 0.255 0.0137 0.51 0.257 0.0188 0.86 0.9679 0.9685 1911703 Bionet2_000870 COc1ccc(cc1)/C(=C/C(=O)O)/C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H13 compound treatment 0.252 0.0107 0.4 0.248 0.00979 0.45 0.5976 0.9981 1911704 Bionet2_000871 CC(C)c1ccc(cc1)N2CC(C)(C)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H14 compound treatment 0.255 0.0137 0.51 0.253 0.0148 0.68 0.8384 0.99 1911705 Bionet2_000872 CC1=C(C#N)/C(=C/Nc2cccc(Cl)c2)/CC(=O)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H15 compound treatment 0.26 0.0187 0.69 0.254 0.0158 0.72 1.0023 0.9998 1911706 Bionet2_000873 CC1(C)CN(C1=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H16 compound treatment 0.258 0.0167 0.62 0.256 0.0178 0.81 1.0144 0.9909 1521571 Bionet2_000874 COc1cc(N2C(=O)CSCC2=O)c(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H17 compound treatment 0.269 0.0277 1.03 0.266 0.0278 1.27 1.6275 0.9945 1442634 Bionet2_000875 Clc1ccc(Nc2nnnc3ccccc23)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H18 compound treatment 0.254 0.0127 0.47 0.254 0.0158 0.72 0.8445 0.9785 1911707 Bionet2_000876 CN(C)c1ccnc(Nc2ccccc2C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H19 compound treatment 0.266 0.0247 0.92 0.263 0.0248 1.14 1.4515 0.9944 1911708 Bionet2_000877 Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H20 compound treatment 0.253 0.0117 0.43 0.252 0.0138 0.63 0.7534 0.9832 1911709 Bionet2_000878 OC(=O)c1ccccc1c2nnc3c(Cl)cc(cn23)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H21 compound treatment 0.279 0.0377 1.4 0.279 0.0408 1.87 2.3114 0.99 1911710 Bionet2_000879 FC(F)(F)c1ccc(COC(=O)N/C=C/c2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H22 compound treatment 0.251 0.00967 0.36 0.252 0.0138 0.63 0.7008 0.9643 1684058 Bionet2_000880 CCOC(=O)c1cc(C#N)c(Cl)nc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H23 mock treatment 0.257 0.0157 0.58 0.253 0.0148 0.68 0.891 0.9972 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 H24 mock treatment 0.242 6.67E-4 0.02 0.24 0.00179 0.08 0.0756 0.8814 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I01 compound treatment 0.248 0.00667 0.25 0.238 -2.07E-4 -0.01 0.1686 0.6796 1911711 Bionet2_000881 Cc1occc(=O)c1Oc2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I02 compound treatment 0.252 0.0107 0.4 0.251 0.0128 0.59 0.6947 0.982 1911712 Bionet2_000882 CCCC(=O)Nc1cc(Cl)cc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I03 compound treatment 0.25 0.00867 0.32 0.247 0.00879 0.4 0.5126 0.9939 1911713 Bionet2_000883 Oc1cc(cnc1S(=O)(=O)c2ccccc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I04 compound treatment 0.245 0.00367 0.14 0.244 0.00579 0.27 0.284 0.9522 1911714 Bionet2_000884 Oc1cc(O)c(c(Cl)n1)c2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I05 compound treatment 0.269 0.0277 1.03 0.264 0.0258 1.18 1.5627 0.9976 1190239 Bionet2_000885 O=c1[nH]cc(cc1C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I06 compound treatment 0.262 0.0207 0.77 0.262 0.0238 1.09 1.3139 0.9854 1911715 Bionet2_000886 c1cn(cn1)c2ccccc2c3nc[nH]n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I07 compound treatment 0.254 0.0127 0.47 0.255 0.0168 0.77 0.8768 0.9724 1911716 Bionet2_000887 N/C(=N\O)/c1ncc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I08 compound treatment 0.259 0.0177 0.66 0.257 0.0188 0.86 1.0731 0.9911 1911717 Bionet2_000888 Cc1nn(c(C)c1CS(=O)(=O)c2ccccc2)c3ncc(cc3Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I09 compound treatment 0.292 0.0507 1.88 0.284 0.0458 2.1 2.8152 0.9986 1911718 Bionet2_000889 COc1ccc(cc1)N2C(/C=N/O)C(=CC2=O)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I10 compound treatment 0.256 0.0147 0.55 0.256 0.0178 0.81 0.9618 0.981 1582835 Bionet2_000890 CNC1C(CO)COc2ccc3ccccc3c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I11 compound treatment 0.256 0.0147 0.55 0.254 0.0158 0.72 0.8971 0.9903 1911719 Bionet2_000891 FC(F)(F)c1cnc(c(Cl)c1)n2cccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I12 compound treatment 0.268 0.0267 0.99 0.262 0.0238 1.09 1.4717 0.9989 1491815 Bionet2_000892 C1COC(O1)c2ccc3noc(c4ccccc4)c3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I13 compound treatment 0.257 0.0157 0.58 0.256 0.0178 0.81 0.9881 0.9865 1911720 Bionet2_000893 N#CC(c1ccccc1)c2ccccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I14 compound treatment 0.25 0.00867 0.32 0.249 0.0108 0.49 0.5774 0.9786 1038902 Bionet2_000894 Clc1ccc(NS(=O)(=O)c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I15 compound treatment 0.267 0.0257 0.95 0.264 0.0258 1.18 1.5101 0.9944 1242935 Bionet2_000895 COc1ccc(cc1)C(C#N)c2ccc(cc2)C(=O)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I16 compound treatment 0.259 0.0177 0.66 0.256 0.0178 0.81 1.0407 0.9943 1911721 Bionet2_000896 Cc1ccc(cc1)C(CC(=O)c2ccc(Cl)cc2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I17 compound treatment 0.252 0.0107 0.4 0.252 0.0138 0.63 0.7271 0.9749 1533565 Bionet2_000897 COC(=O)C1=C(N)c2c(cccc2F)C1(C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I18 compound treatment 0.264 0.0227 0.84 0.266 0.0278 1.27 1.496 0.98 1911722 Bionet2_000898 Cc1[nH]c2ccccc2c1c3ncc(cc3Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I19 compound treatment 0.258 0.0167 0.62 0.256 0.0178 0.81 1.0144 0.9909 1911723 Bionet2_000899 c1ccn(c1)c2nc3nccc(c4ccco4)n3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I20 compound treatment 0.257 0.0157 0.58 0.258 0.0198 0.91 1.0529 0.9772 1250775 Bionet2_000900 O=C(c1cccs1)c2ccc(CC#N)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I21 compound treatment 0.253 0.0117 0.43 0.253 0.0148 0.68 0.7858 0.9768 1911724 Bionet2_000901 Nc1ncc(cn1)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I22 compound treatment 0.24 -0.00133 -0.05 0.241 0.00279 0.13 0.0554 0.4036 1498829 Bionet2_000902 O=C(CC(=O)Nc1cccnc1)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I23 mock treatment 0.254 0.0127 0.47 0.254 0.0158 0.72 0.8445 0.9785 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 I24 mock treatment 0.24 -0.00133 -0.05 0.239 7.93E-4 0.04 -0.0094 -0.1528 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J01 compound treatment 0.244 0.00267 0.1 0.236 -0.00221 -0.1 -0.0013 -0.0093 1911725 Bionet2_000903 FC(F)(F)c1cnc(c(Cl)c1)c2cnc(nc2)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J02 compound treatment 0.248 0.00667 0.25 0.247 0.00879 0.4 0.46 0.9729 1911726 Bionet2_000904 CSCc1cc(O)nc(C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J03 compound treatment 0.251 0.00967 0.36 0.25 0.0118 0.54 0.6361 0.9805 1911727 Bionet2_000905 OCc1cc(Cl)cc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J04 compound treatment 0.251 0.00967 0.36 0.251 0.0128 0.59 0.6684 0.9725 1080279 Bionet2_000906 COC(=O)C1CN(Cc2ccccc2)C(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J05 compound treatment 0.253 0.0117 0.43 0.249 0.0108 0.49 0.6563 0.9979 1911728 Bionet2_000907 Cc1nnc(nc1O)c2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J06 compound treatment 0.257 0.0157 0.58 0.257 0.0188 0.86 1.0205 0.982 1911729 Bionet2_000908 COCc1cc(O)nc(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J07 compound treatment 0.259 0.0177 0.66 0.256 0.0178 0.81 1.0407 0.9943 1911730 Bionet2_000909 COC(=O)c1sc(nc1C)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J08 compound treatment 0.266 0.0247 0.92 0.242 0.00379 0.17 0.7716 0.8263 1911731 Bionet2_000910 FC(F)(F)C(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J09 compound treatment 0.252 0.0107 0.4 0.251 0.0128 0.59 0.6947 0.982 1911732 Bionet2_000911 FC(F)(F)c1cccc(c1)c2csnn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J10 compound treatment 0.25 0.00867 0.32 0.248 0.00979 0.45 0.545 0.9869 1222057 Bionet2_000912 CN1CCN(CC1)c2cc(Cl)nc(N)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J11 compound treatment 0.257 0.0157 0.58 0.253 0.0148 0.68 0.891 0.9972 1489823 Bionet2_000913 CC1(C)CN(C1=O)c2cccc(C#N)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J12 compound treatment 0.256 0.0147 0.55 0.254 0.0158 0.72 0.8971 0.9903 1060540 Bionet2_000914 O=C1Cc2ccccc2C(=O)N1Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J13 compound treatment 0.254 0.0127 0.47 0.251 0.0128 0.59 0.7473 0.9942 1296266 Bionet2_000915 CC1(C)CN(C1=O)c2cccc(n2)N3CC(C)(C)C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J14 compound treatment 0.28 0.0387 1.44 0.281 0.0428 1.96 2.4025 0.9884 1911733 Bionet2_000916 Nc1nccc(n1)c2ccc(Sc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J15 compound treatment 0.264 0.0227 0.84 0.263 0.0248 1.14 1.3989 0.9893 1371849 Bionet2_000917 CC1(C)CN(C1=O)c2ccc(OCc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J16 compound treatment 0.253 0.0117 0.43 0.255 0.0168 0.77 0.8505 0.9633 1911734 Bionet2_000918 COc1ccnc(N)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J17 compound treatment 0.257 0.0157 0.58 0.257 0.0188 0.86 1.0205 0.982 1618635 Bionet2_000919 CCN(CC)c1cc(CS(=O)c2ccccc2)nc(n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J18 compound treatment 0.254 0.0127 0.47 0.253 0.0148 0.68 0.8121 0.9843 1911735 Bionet2_000920 Cc1cccc(C)c1N2C(=O)CSC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J19 compound treatment 0.257 0.0157 0.58 0.256 0.0178 0.81 0.9881 0.9865 1911736 Bionet2_000921 Clc1ccsc1c2ccn[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J20 compound treatment 0.256 0.0147 0.55 0.255 0.0168 0.77 0.9294 0.9859 1911737 Bionet2_000922 Clc1ccc(Sc2cnccc2C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J21 compound treatment 0.247 0.00567 0.21 0.248 0.00979 0.45 0.4661 0.9407 1911738 Bionet2_000923 COC(=O)CN1C(=O)Cc2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J22 compound treatment 0.24 -0.00133 -0.05 0.239 7.93E-4 0.04 -0.0094 -0.1528 1911739 Bionet2_000924 CC(C)/N=C/c1nc([nH]c1Cl)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J23 mock treatment 0.248 0.00667 0.25 0.248 0.00979 0.45 0.4924 0.961 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 J24 mock treatment 0.242 6.67E-4 0.02 0.222 -0.0162 -0.74 -0.5072 -0.6831 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K01 compound treatment 0.24 -0.00133 -0.05 0.233 -0.00521 -0.24 -0.2036 -0.8363 1911740 Bionet2_000925 Cc1[nH]ccc(=O)c1Oc2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K02 compound treatment 0.256 0.0147 0.55 0.255 0.0168 0.77 0.9294 0.9859 1670843 Bionet2_000926 Cc1c(oc2ccccc12)C(=O)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K03 compound treatment 0.257 0.0157 0.58 0.254 0.0158 0.72 0.9234 0.9943 1911741 Bionet2_000927 O/N=C/c1cc(Br)ccc1OCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K04 compound treatment 0.252 0.0107 0.4 0.25 0.0118 0.54 0.6624 0.9885 1911742 Bionet2_000928 Clc1ncccc1c2nc3ccccc3n2Cc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K05 compound treatment 0.263 0.0217 0.81 0.264 0.0258 1.18 1.4049 0.9826 1911743 Bionet2_000929 COc1ccc(CC(C#N)C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K06 compound treatment 0.257 0.0157 0.58 0.253 0.0148 0.68 0.891 0.9972 1911744 Bionet2_000930 Cc1nc(c(s1)c2ncn(n2)c3ccccc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K07 compound treatment 0.246 0.00467 0.17 0.244 0.00579 0.27 0.3103 0.9789 1911745 Bionet2_000931 CC(Sc1ncc(cc1Cl)C(F)(F)F)c2ccn[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K08 compound treatment 0.254 0.0127 0.47 0.256 0.0178 0.81 0.9092 0.9661 1911746 Bionet2_000932 Cc1n[nH]c(C)c1CS(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K09 compound treatment 0.255 0.0137 0.51 0.252 0.0138 0.63 0.806 0.9942 1124326 Bionet2_000933 Nc1[nH]ncc1c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K10 compound treatment 0.262 0.0207 0.77 0.257 0.0188 0.86 1.152 0.9984 1911747 Bionet2_000934 Cc1nc(C)c(C#N)c(c1C#N)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K11 compound treatment 0.259 0.0177 0.66 0.256 0.0178 0.81 1.0407 0.9943 1911748 Bionet2_000935 OCc1cccn1c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K12 compound treatment 0.26 0.0187 0.69 0.259 0.0208 0.95 1.1642 0.988 1285310 Bionet2_000936 OC(=O)Cc1sc(nc1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K13 compound treatment 0.259 0.0177 0.66 0.26 0.0218 1.0 1.1702 0.9795 1911749 Bionet2_000937 Cn1cccc1C(C#N)c2ccccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K14 compound treatment 0.248 0.00667 0.25 0.248 0.00979 0.45 0.4924 0.961 1723181 Bionet2_000938 CCOC(=O)NC1Cc2ccccc2C1Sc3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K15 compound treatment 0.251 0.00967 0.36 0.248 0.00979 0.45 0.5713 0.994 1431055 Bionet2_000939 COC(=O)CC(C#N)(c1ccccc1)c2cccc(F)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K16 compound treatment 0.254 0.0127 0.47 0.253 0.0148 0.68 0.8121 0.9843 1627015 Bionet2_000940 COc1cccc(c1)C(=O)CC(C#N)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K17 compound treatment 0.365 0.124 4.6 0.338 0.0998 4.57 6.4835 1.0 1911750 Bionet2_000941 COC(=O)/C=C/C1=C(N)c2ccccc2C1(C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K18 compound treatment 0.258 0.0167 0.62 0.256 0.0178 0.81 1.0144 0.9909 1257165 Bionet2_000942 CC1(C)CC(=C(CS(=O)(=O)c2ccccc2)C(=O)C1)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K19 compound treatment 0.257 0.0157 0.58 0.252 0.0138 0.63 0.8586 0.9992 1911751 Bionet2_000943 c1ccn(c1)c2nc3nccc(c4ccccn4)n3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K20 compound treatment 0.253 0.0117 0.43 0.25 0.0118 0.54 0.6887 0.9941 1736358 Bionet2_000944 O=C(c1ccco1)c2ccc(CC#N)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K21 compound treatment 0.255 0.0137 0.51 0.254 0.0158 0.72 0.8708 0.9851 1911752 Bionet2_000945 NC(=O)c1ccc(nc1O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K22 compound treatment 0.252 0.0107 0.4 0.251 0.0128 0.59 0.6947 0.982 1433620 Bionet2_000946 COC(=O)CC(=O)N1CCN(CC1)c2ccc(Cl)c(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K23 mock treatment 0.257 0.0157 0.58 0.253 0.0148 0.68 0.891 0.9972 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 K24 mock treatment 0.246 0.00467 0.17 0.236 -0.00221 -0.1 0.0513 0.2553 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L01 compound treatment 0.27 0.0287 1.07 0.268 0.0298 1.36 1.7186 0.9926 1383067 Bionet2_000947 Clc1ccc(cc1)c2cc(n[nH]2)C3CCNCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L02 compound treatment 0.265 0.0237 0.88 0.264 0.0258 1.18 1.4575 0.9895 1125030 Bionet2_000948 COc1ccc(cc1OC)C(=O)c2c[nH]cc2c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L03 compound treatment 0.257 0.0157 0.58 0.254 0.0158 0.72 0.9234 0.9943 1073609 Bionet2_000949 BrCC1(OCCO1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L04 compound treatment 0.258 0.0167 0.62 0.255 0.0168 0.77 0.982 0.9943 1911753 Bionet2_000950 CN(C)c1cc(Cl)nc(N(C)C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L05 compound treatment 0.271 0.0297 1.1 0.268 0.0298 1.36 1.7449 0.9945 1911754 Bionet2_000951 Clc1ccc(c2nc(no2)c3ccccn3)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L06 compound treatment 0.261 0.0197 0.73 0.26 0.0218 1.0 1.2228 0.9883 1911755 Bionet2_000952 COCc1cc(Cl)nc(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L07 compound treatment 0.262 0.0207 0.77 0.265 0.0268 1.23 1.411 0.9746 1911756 Bionet2_000953 Clc1ccc(cc1Cl)c2csnn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L08 compound treatment 0.257 0.0157 0.58 0.255 0.0168 0.77 0.9557 0.9906 1911757 Bionet2_000954 Cc1cc(nc(n1)c2ccccc2)C(F)(F)Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L09 compound treatment 0.256 0.0147 0.55 0.254 0.0158 0.72 0.8971 0.9903 1392951 Bionet2_000955 OC(=O)CSC1CCC(=O)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L10 compound treatment 0.268 0.0267 0.99 0.264 0.0258 1.18 1.5364 0.9962 1911758 Bionet2_000956 CCCN(CCC)c1cc(Cl)nc(SC)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L11 compound treatment 0.256 0.0147 0.55 0.25 0.0118 0.54 0.7676 1.0 1575301 Bionet2_000957 CC1(C)CN(C1=O)c2ccc(cc2)N3CC(C)(C)C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L12 compound treatment 0.264 0.0227 0.84 0.259 0.0208 0.95 1.2694 0.9982 1199862 Bionet2_000958 O=C1N(Cc2ccccc2)C(=O)C3(CCCC3)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L13 compound treatment 0.26 0.0187 0.69 0.26 0.0218 1.0 1.1965 0.9843 1911759 Bionet2_000959 COc1ccc(cc1)N2CC(C)(C)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L14 compound treatment 0.258 0.0167 0.62 0.255 0.0168 0.77 0.982 0.9943 1235232 Bionet2_000960 Cn1ccc(n1)c2ccc(Oc3cccc(Cl)c3C#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L15 compound treatment 0.256 0.0147 0.55 0.254 0.0158 0.72 0.8971 0.9903 1242376 Bionet2_000961 COC(=O)c1cc(cc(c1)N2CC(C)(C)C2=O)N3CC(C)(C)C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L16 compound treatment 0.265 0.0237 0.88 0.264 0.0258 1.18 1.4575 0.9895 1911760 Bionet2_000962 COc1ccnc(Oc2cccc(c2)C(F)(F)F)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L17 compound treatment 0.263 0.0217 0.81 0.259 0.0208 0.95 1.2431 0.9966 1911761 Bionet2_000963 CNc1cc(CS(=O)c2ccccc2)nc(n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L18 compound treatment 0.264 0.0227 0.84 0.263 0.0248 1.14 1.3989 0.9893 1911762 Bionet2_000964 COc1c(C#N)sc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L19 compound treatment 0.256 0.0147 0.55 0.255 0.0168 0.77 0.9294 0.9859 1911763 Bionet2_000965 Clc1ccsc1c2ccnn2C(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L20 compound treatment 0.261 0.0197 0.73 0.263 0.0248 1.14 1.32 0.9774 1505185 Bionet2_000966 COc1ccc(CCN2C(=O)C3C4CC(C=C4)C3C2=O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L21 compound treatment 0.255 0.0137 0.51 0.255 0.0168 0.77 0.9031 0.9798 1911764 Bionet2_000967 CN(C)c1n[nH]c(n1)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L22 compound treatment 0.259 0.0177 0.66 0.26 0.0218 1.0 1.1702 0.9795 1534273 Bionet2_000968 C1CN(CCO1)c2nc(cs2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L23 mock treatment 0.253 0.0117 0.43 0.251 0.0128 0.59 0.721 0.9891 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 L24 mock treatment 0.248 0.00667 0.25 0.242 0.00379 0.17 0.2981 0.9848 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M01 compound treatment 0.239 -0.00233 -0.09 0.234 -0.00421 -0.19 -0.1976 -0.9352 1390509 Bionet2_000969 Cc1[nH]ccc(=O)c1OCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M02 compound treatment 0.253 0.0117 0.43 0.248 0.00979 0.45 0.6239 0.9999 1448217 Bionet2_000970 COC(=O)c1c(C(=O)OC)c2CCCn2c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M03 compound treatment 0.247 0.00567 0.21 0.246 0.00779 0.36 0.4014 0.9685 1235182 Bionet2_000971 CN1CCN(CC(O)(c2ccc(F)cc2)c3ccc(F)cc3)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M04 compound treatment 0.263 0.0217 0.81 0.261 0.0228 1.04 1.3078 0.9918 1014042 Bionet2_000972 ClCc1nc2ccccc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M05 compound treatment 0.259 0.0177 0.66 0.26 0.0218 1.0 1.1702 0.9795 1286758 Bionet2_000973 Cc1nc(N)c(Cc2ccc(Cl)cc2Cl)c(N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M06 compound treatment 0.267 0.0257 0.95 0.265 0.0268 1.23 1.5425 0.9923 1911765 Bionet2_000974 OC(CSc1ccc(F)cc1)CN2CCN(CC2)c3cccc(c3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M07 compound treatment 0.245 0.00367 0.14 0.244 0.00579 0.27 0.284 0.9522 1349252 Bionet2_000975 CC(O)(CS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)Nc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M08 compound treatment 0.255 0.0137 0.51 0.255 0.0168 0.77 0.9031 0.9798 1911766 Bionet2_000976 CC(=O)n1nc(C)c(CS(=O)(=O)c2ccccc2)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M09 compound treatment 0.253 0.0117 0.43 0.251 0.0128 0.59 0.721 0.9891 1911767 Bionet2_000977 FC(F)(F)c1n[nH]cc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M10 compound treatment 0.251 0.00967 0.36 0.249 0.0108 0.49 0.6037 0.9878 1911768 Bionet2_000978 Cc1nc(C)c(C#N)c(c1C#N)c2c(Cl)cccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M11 compound treatment 0.251 0.00967 0.36 0.25 0.0118 0.54 0.6361 0.9805 1911769 Bionet2_000979 CCOC(=O)c1cccn1c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M12 compound treatment 0.252 0.0107 0.4 0.249 0.0108 0.49 0.63 0.9941 1911770 Bionet2_000980 FC(F)(F)c1cnc(C#N)c(SCc2ccc(Cl)cc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M13 compound treatment 0.269 0.0277 1.03 0.261 0.0228 1.04 1.4656 1.0 1158948 Bionet2_000981 O=C(c1ccccc1)c2ccccc2C(C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M14 compound treatment 0.258 0.0167 0.62 0.256 0.0178 0.81 1.0144 0.9909 1911771 Bionet2_000982 CCOC(=O)CSc1ncc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M15 compound treatment 0.253 0.0117 0.43 0.252 0.0138 0.63 0.7534 0.9832 1911772 Bionet2_000983 Cc1nn(C)c(Oc2cccc(c2)C(F)(F)F)c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M16 compound treatment 0.259 0.0177 0.66 0.258 0.0198 0.91 1.1055 0.9875 1322697 Bionet2_000984 COc1cccc(c1)C(=O)CC(C(=O)O)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M17 compound treatment 0.256 0.0147 0.55 0.253 0.0148 0.68 0.8647 0.9942 1423906 Bionet2_000985 COc1cccc(c1)n2c(C)cc3C(=O)CC(C)(C)Cc32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M18 compound treatment 0.262 0.0207 0.77 0.261 0.0228 1.04 1.2815 0.9887 1911773 Bionet2_000986 OC(=O)Cc1cn(c2ncc(cc2Cl)C(F)(F)F)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M19 compound treatment 0.258 0.0167 0.62 0.251 0.0128 0.59 0.8525 0.9996 1911774 Bionet2_000987 c1ccn(c1)c2nc3nccc(c4cccs4)n3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M20 compound treatment 0.256 0.0147 0.55 0.255 0.0168 0.77 0.9294 0.9859 1226861 Bionet2_000988 CC(N1Cc2ccccc2C1=O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M21 compound treatment 0.252 0.0107 0.4 0.25 0.0118 0.54 0.6624 0.9885 1911775 Bionet2_000989 CC(C)NC(=O)c1cc(Cl)cc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M22 compound treatment 0.258 0.0167 0.62 0.257 0.0188 0.86 1.0468 0.9871 1911776 Bionet2_000990 Cc1onc(C(=O)N)c1C(=O)Nc2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M23 mock treatment 0.251 0.00967 0.36 0.248 0.00979 0.45 0.5713 0.994 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 M24 mock treatment 0.237 -0.00433 -0.16 0.24 0.00179 0.08 -0.0559 -0.3091 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N01 compound treatment 0.251 0.00967 0.36 0.253 0.0148 0.68 0.7332 0.9561 1911777 Bionet2_000991 COc1ccc(/C=C\2/N3CCC(CC3)C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N02 compound treatment 0.246 0.00467 0.17 0.245 0.00679 0.31 0.3427 0.962 1911778 Bionet2_000992 CS(=O)Cc1cc(Cl)nc(n1)c2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N03 compound treatment 0.25 0.00867 0.32 0.248 0.00979 0.45 0.545 0.9869 1353267 Bionet2_000993 COc1ccc(NC(=O)c2cccnc2Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N04 compound treatment 0.246 0.00467 0.17 0.241 0.00279 0.13 0.2132 0.9887 1911779 Bionet2_000994 OC(=O)CNC(=O)c1cccc(c1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N05 compound treatment 0.259 0.0177 0.66 0.258 0.0198 0.91 1.1055 0.9875 1911780 Bionet2_000995 OC(=O)c1cnn(c2nc(cs2)c3ccccc3)c1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N06 compound treatment 0.263 0.0217 0.81 0.262 0.0238 1.09 1.3402 0.989 1911781 Bionet2_000996 COc1ccc(COC(=O)N/C=C/c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N07 compound treatment 0.256 0.0147 0.55 0.256 0.0178 0.81 0.9618 0.981 1911782 Bionet2_000997 Brc1ccc(cc1)c2csnn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N08 compound treatment 0.251 0.00967 0.36 0.249 0.0108 0.49 0.6037 0.9878 1911783 Bionet2_000998 O/N=C/c1cccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N09 compound treatment 0.254 0.0127 0.47 0.25 0.0118 0.54 0.715 0.9977 1410660 Bionet2_000999 OC(=O)c1ccccc1SC2CCC(=O)N2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N10 compound treatment 0.252 0.0107 0.4 0.25 0.0118 0.54 0.6624 0.9885 1911784 Bionet2_001000 CCNc1cc(Cl)nc(SC)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N11 compound treatment 0.25 0.00867 0.32 0.247 0.00879 0.4 0.5126 0.9939 1911785 Bionet2_001001 CCOC(=O)c1ccc(cc1)N2CC(C)(C)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N12 compound treatment 0.251 0.00967 0.36 0.255 0.0168 0.77 0.7979 0.9401 1911786 Bionet2_001002 Cc1nn(nc1C(=O)O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N13 compound treatment 0.252 0.0107 0.4 0.249 0.0108 0.49 0.63 0.9941 1911787 Bionet2_001003 CC1(C)CN(C1=O)c2ccc(cc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N14 compound treatment 0.248 0.00667 0.25 0.245 0.00679 0.31 0.3953 0.9937 1911788 Bionet2_001004 CCSC1=NC(=CC(C)(C)N1)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N15 compound treatment 0.254 0.0127 0.47 0.254 0.0158 0.72 0.8445 0.9785 1911789 Bionet2_001005 CC1(C)CN(C1=O)c2ccc(CC#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N16 compound treatment 0.265 0.0237 0.88 0.263 0.0248 1.14 1.4252 0.9921 1911790 Bionet2_001006 Fc1ccc(/N=C/2\C(=O)N(c3ccccc23)c4ccccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N17 compound treatment 0.253 0.0117 0.43 0.251 0.0128 0.59 0.721 0.9891 1911791 Bionet2_001007 Oc1n[n+](cc2ccccc12)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N18 compound treatment 0.251 0.00967 0.36 0.249 0.0108 0.49 0.6037 0.9878 1911792 Bionet2_001008 Cc1nnsc1C(=O)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N19 compound treatment 0.253 0.0117 0.43 0.252 0.0138 0.63 0.7534 0.9832 1911793 Bionet2_001009 FC(F)(F)S(=O)(=O)n1nccc1c2sccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N20 compound treatment 0.254 0.0127 0.47 0.253 0.0148 0.68 0.8121 0.9843 1911794 Bionet2_001010 OC(CNc1ncc(cc1Cl)C(F)(F)F)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N21 compound treatment 0.252 0.0107 0.4 0.253 0.0148 0.68 0.7595 0.9675 1361149 Bionet2_001011 CC1=C(C#N)C(C(=C(C)N1)C#N)c2sc3ccccc3c2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N22 compound treatment 0.248 0.00667 0.25 0.249 0.0108 0.49 0.5248 0.9491 1911795 Bionet2_001012 Cn1nc(c(/C=N/O)c1Cl)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N23 mock treatment 0.244 0.00267 0.1 0.246 0.00779 0.36 0.3224 0.8707 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 N24 mock treatment 0.23 -0.0113 -0.42 0.225 -0.0132 -0.6 -0.7257 -0.9844 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O01 compound treatment 0.218 -0.0233 -0.87 0.232 -0.00621 -0.28 -0.8146 -0.892 1424041 Bionet2_001013 Cc1cc2n(Cc3ccccc3)cnc2c(N)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O02 compound treatment 0.247 0.00567 0.21 0.248 0.00979 0.45 0.4661 0.9407 1911796 Bionet2_001014 Cc1cc2nc([nH]c2cc1C)c3ccc(Cl)nc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O03 compound treatment 0.241 -3.33E-4 -0.01 0.238 -2.07E-4 -0.01 -0.0155 -0.9912 1252144 Bionet2_001015 OC(CN1CCOCC1)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O04 compound treatment 0.252 0.0107 0.4 0.249 0.0108 0.49 0.63 0.9941 1911797 Bionet2_001016 Cc1ccc(SCc2nc3ccccc3[nH]2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O05 compound treatment 0.248 0.00667 0.25 0.249 0.0108 0.49 0.5248 0.9491 1911798 Bionet2_001017 Fc1ccccc1CC(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O06 compound treatment 0.252 0.0107 0.4 0.248 0.00979 0.45 0.5976 0.9981 1911799 Bionet2_001018 COC(=O)c1sccc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O07 compound treatment 0.242 6.67E-4 0.02 0.242 0.00379 0.17 0.1403 0.8 1911800 Bionet2_001019 NC(=O)c1ncc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O08 compound treatment 0.245 0.00367 0.14 0.243 0.00479 0.22 0.2516 0.9738 1911801 Bionet2_001020 Cc1nn(C)c(C)c1CS(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O09 compound treatment 0.244 0.00267 0.1 0.24 0.00179 0.08 0.1282 0.9956 1911802 Bionet2_001021 FC(F)(F)c1cnc(c2cnoc2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O10 compound treatment 0.242 6.67E-4 0.02 0.242 0.00379 0.17 0.1403 0.8 1911803 Bionet2_001022 C/C(=C(\C#N)/C(=O)N)/NCc1ccncc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O11 compound treatment 0.249 0.00767 0.29 0.24 0.00179 0.08 0.2597 0.8751 1911804 Bionet2_001023 OC(=O)c1cccn1c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O12 compound treatment 0.246 0.00467 0.17 0.245 0.00679 0.31 0.3427 0.962 1911805 Bionet2_001024 FC(F)(F)c1cnc(C#N)c(c1)S(=O)(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O13 compound treatment 0.265 0.0237 0.88 0.264 0.0258 1.18 1.4575 0.9895 1682930 Bionet2_001025 O=C(c1ccccc1)c2ccc(cc2)C(C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O14 compound treatment 0.249 0.00767 0.29 0.248 0.00979 0.45 0.5187 0.9761 1911806 Bionet2_001026 OC(=O)CSc1ncc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O15 compound treatment 0.243 0.00167 0.06 0.245 0.00679 0.31 0.2638 0.8317 1911807 Bionet2_001027 Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O16 compound treatment 0.254 0.0127 0.47 0.248 0.00979 0.45 0.6502 0.9997 1128888 Bionet2_001028 COC(=O)C(CC(=O)c1cccc(C)c1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O17 compound treatment 0.238 -0.00333 -0.12 0.236 -0.00221 -0.1 -0.1591 -0.9948 1911808 Bionet2_001029 CN(O)/C=C/1\C(=O)Nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O18 compound treatment 0.243 0.00167 0.06 0.249 0.0108 0.49 0.3933 0.7896 1911809 Bionet2_001030 COC(=O)Cc1cn(c2ncc(cc2Cl)C(F)(F)F)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O19 compound treatment 0.283 0.0417 1.55 0.284 0.0458 2.1 2.5785 0.9889 1658567 Bionet2_001031 Cc1ccc(SCC(=O)c2cc(C)c(O)c(C)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O20 compound treatment 0.241 -3.33E-4 -0.01 0.242 0.00379 0.17 0.114 0.655 1210349 Bionet2_001032 OC(=O)C(Cc1ccccc1)N2Cc3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O21 compound treatment 0.241 -3.33E-4 -0.01 0.24 0.00179 0.08 0.0493 0.5936 1911810 Bionet2_001033 CO/C=C(/Oc1ccc(Cl)cc1Br)\C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O22 compound treatment 0.252 0.0107 0.4 0.243 0.00479 0.22 0.4357 0.961 1267841 Bionet2_001034 Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)cc2C)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O23 mock treatment 0.241 -3.33E-4 -0.01 0.247 0.00879 0.4 0.2759 0.685 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 O24 mock treatment 0.221 -0.0203 -0.76 0.217 -0.0212 -0.97 -1.2214 -0.9924 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P01 compound treatment 0.182 -0.0593 -2.21 0.188 -0.0502 -2.3 -3.186 -0.9998 1727230 Bionet2_001035 CCOC(=O)c1cnc2ccc(Cl)cc2c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P02 compound treatment 0.235 -0.00633 -0.24 0.232 -0.00621 -0.28 -0.3675 -0.9957 1911811 Bionet2_001036 CC(C)(C)NC(=O)CCc1ncc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P03 compound treatment 0.235 -0.00633 -0.24 0.209 -0.0292 -1.34 -1.1122 -0.8191 1911812 Bionet2_001037 O=C1CC(CC(=O)C1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P04 compound treatment 0.214 -0.0273 -1.02 0.208 -0.0302 -1.38 -1.6969 -0.9885 1529198 Bionet2_001038 Fc1cccc(n1)N2CCc3c(C#N)c(sc3C2)n4cccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P05 compound treatment 0.219 -0.0223 -0.83 0.215 -0.0232 -1.06 -1.3387 -0.9926 1911813 Bionet2_001039 Cc1ccc(CS(=O)(=O)c2ccccc2c3nnc(o3)c4ccc(Cl)cc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P06 compound treatment 0.226 -0.0153 -0.57 0.233 -0.00521 -0.24 -0.5719 -0.9251 1911814 Bionet2_001040 Clc1ccc(COC(=O)N/C=C/c2ccccc2Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P07 compound treatment 0.199 -0.0423 -1.57 0.215 -0.0232 -1.06 -1.8648 -0.9817 1911815 Bionet2_001041 Clc1ccc(cc1)c2csnn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P08 compound treatment 0.205 -0.0363 -1.35 0.212 -0.0262 -1.2 -1.8041 -0.9982 1671170 Bionet2_001042 O=C(N1CCOCC1)c2[nH]c3ccccc3c2c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P09 compound treatment 0.218 -0.0233 -0.87 0.209 -0.0292 -1.34 -1.5593 -0.9781 1911816 Bionet2_001043 FC(F)(F)c1ccc2n(CCNc3ncc(cc3Cl)C(F)(F)F)c(=O)c(=O)[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P10 compound treatment 0.223 -0.0183 -0.68 0.207 -0.0312 -1.43 -1.4925 -0.9427 1118600 Bionet2_001044 CC(C)Oc1cc(N)c(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P11 compound treatment 0.238 -0.00333 -0.12 0.214 -0.0242 -1.11 -0.8714 -0.7813 1911817 Bionet2_001045 CC1(C)CN(C1=O)c2ccc(Cl)cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P12 compound treatment 0.207 -0.0343 -1.28 0.215 -0.0232 -1.06 -1.6544 -0.9958 1911818 Bionet2_001046 CCOC(=O)c1cc(nnc1Cl)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P13 compound treatment 0.226 -0.0153 -0.57 0.223 -0.0152 -0.7 -0.8956 -0.9951 1537859 Bionet2_001047 COC(=O)c1sccc1N2CC(C)(C)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P14 compound treatment 0.222 -0.0193 -0.72 0.211 -0.0272 -1.25 -1.3893 -0.9659 1423514 Bionet2_001048 CCOC(=O)C1=C(C)NC(=O)CC1c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P15 compound treatment 0.219 -0.0223 -0.83 0.216 -0.0222 -1.02 -1.3064 -0.995 1911819 Bionet2_001049 CC1(C)CN(C1=O)c2ccc(Br)cc2Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P16 compound treatment 0.217 -0.0243 -0.91 0.214 -0.0242 -1.11 -1.4237 -0.9949 1911820 Bionet2_001050 COc1ccc(/N=C/2\C(=O)N(c3ccccc23)c4ccccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P17 compound treatment 0.225 -0.0163 -0.61 0.222 -0.0162 -0.74 -0.9543 -0.9951 1911821 Bionet2_001051 COc1ccc(cc1)C(C#N)c2nc3ccccc3nc2C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P18 compound treatment 0.218 -0.0233 -0.87 0.218 -0.0202 -0.93 -1.2679 -0.9995 1911822 Bionet2_001052 Nc1nnc(SCc2ccc(Cl)c(Cl)c2)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P19 compound treatment 0.226 -0.0153 -0.57 0.228 -0.0102 -0.47 -0.7337 -0.9951 1313555 Bionet2_001053 Brc1ccsc1c2csc(n2)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P20 compound treatment 0.229 -0.0123 -0.46 0.226 -0.0122 -0.56 -0.7196 -0.9952 1911823 Bionet2_001054 O=C(/C=C/c1ccco1)/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P21 compound treatment 0.194 -0.0473 -1.76 0.208 -0.0302 -1.38 -2.2229 -0.9929 1163514 Bionet2_001055 Cc1cc(C)n(n1)c2ccnc3cc(Cl)ccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P22 compound treatment 0.197 -0.0443 -1.65 0.2 -0.0382 -1.75 -2.403 -0.9996 1187455 Bionet2_001056 COc1ccc(Cn2c(=O)sc3ccccc3c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P23 mock treatment 0.197 -0.0443 -1.65 0.181 -0.0572 -2.62 -3.0182 -0.9751 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1366 P24 mock treatment 0.185 -0.0563 -2.1 0.185 -0.0532 -2.44 -3.2043 -0.9972 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A01 compound treatment 0.174 -0.0585 -2.17 0.178 -0.0516 -2.36 -3.2079 -0.9991 1911824 Bionet2_001057 Fc1ccc(CNC(=O)/C(=C/c2cccs2)/c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A02 compound treatment 0.18 -0.0525 -1.95 0.187 -0.0426 -1.95 -2.7588 -1.0 1466754 Bionet2_001058 Clc1ccc(cc1)c2nc3ccc(cc3c(=O)[nH]2)N4CCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A03 compound treatment 0.201 -0.0315 -1.17 0.183 -0.0466 -2.13 -2.3359 -0.96 1911825 Bionet2_001059 O[C@H](CSc1nc2ccccc2o1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A04 compound treatment 0.206 -0.0265 -0.98 0.202 -0.0276 -1.26 -1.5893 -0.9923 1911826 Bionet2_001060 FC(F)(F)c1cnc(CC(=O)NCC2CCCO2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A05 compound treatment 0.201 -0.0315 -1.17 0.188 -0.0416 -1.9 -2.1741 -0.9726 1911827 Bionet2_001061 Cc1ccsc1/C=C/C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A06 compound treatment 0.185 -0.0475 -1.76 0.191 -0.0386 -1.77 -2.4977 -1.0 1911828 Bionet2_001062 Nc1[nH]ncc1S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A07 compound treatment 0.211 -0.0215 -0.8 0.205 -0.0246 -1.13 -1.3607 -0.9857 1911829 Bionet2_001063 CC1=NCCN1S(=O)(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A08 compound treatment 0.233 5.48E-4 0.02 0.222 -0.0076 -0.35 -0.2316 -0.6645 1525087 Bionet2_001064 O=C(Cc1ccccc1)c2c[nH]c(c2)C(=O)NCCc3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A09 compound treatment 0.208 -0.0245 -0.91 0.202 -0.0276 -1.26 -1.5367 -0.987 1911830 Bionet2_001065 FC(F)(F)c1cccc(CNC(=O)c2ccc[nH]2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A10 compound treatment 0.224 -0.00845 -0.31 0.224 -0.0056 -0.26 -0.4036 -0.9949 1911831 Bionet2_001066 COc1ccc(cc1)c2c[nH]cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A11 compound treatment 0.215 -0.0175 -0.65 0.218 -0.0116 -0.53 -0.8346 -0.995 1601613 Bionet2_001067 COc1ccc(cc1)C(CC(=O)O)N2Cc3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A12 compound treatment 0.237 0.00455 0.17 0.235 0.0054 0.25 0.2945 0.9829 1911832 Bionet2_001068 O=C(NCCCn1ccnc1)c2cc(c[nH]2)C(=O)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A13 compound treatment 0.207 -0.0255 -0.95 0.204 -0.0256 -1.17 -1.4982 -0.9944 1274106 Bionet2_001069 Oc1nc(c2ccccc2)c3CCCCc3c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A14 compound treatment 0.214 -0.0185 -0.69 0.209 -0.0206 -0.94 -1.1522 -0.9878 1911833 Bionet2_001070 Nc1nccc(n1)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A15 compound treatment 0.201 -0.0315 -1.17 0.21 -0.0196 -0.9 -1.4618 -0.9914 1296309 Bionet2_001071 CC(C)N(C(C)C)C(=O)c1cc(c[nH]1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A16 compound treatment 0.219 -0.0135 -0.5 0.208 -0.0216 -0.99 -1.0531 -0.9502 1911834 Bionet2_001072 CC(O)c1ccc(cc1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A17 compound treatment 0.218 -0.0145 -0.54 0.213 -0.0166 -0.76 -0.9175 -0.9856 1289337 Bionet2_001073 O=C(NCc1ccccc1)c2cc(c[nH]2)C(=O)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A18 compound treatment 0.23 -0.00245 -0.09 0.237 0.0074 0.34 0.1751 0.499 1911835 Bionet2_001074 c1cc([nH]n1)c2cc3c(ccc4ccccc34)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A19 compound treatment 0.214 -0.0185 -0.69 0.205 -0.0246 -1.13 -1.2818 -0.9718 1729737 Bionet2_001075 COC(=O)c1sccc1NC(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A20 compound treatment 0.206 -0.0265 -0.98 0.215 -0.0146 -0.67 -1.1684 -0.9823 1911836 Bionet2_001076 NC(CC(=O)O)C1CCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A21 compound treatment 0.206 -0.0265 -0.98 0.213 -0.0166 -0.76 -1.2331 -0.9919 1327894 Bionet2_001077 OC(=O)C1CN(CCc2c[nH]c3ccccc23)C(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A22 compound treatment 0.215 -0.0175 -0.65 0.192 -0.0376 -1.72 -1.6763 -0.9111 1911837 Bionet2_001078 Clc1ccc(cc1Cl)C(=O)n2ccc(n2)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A23 mock treatment 0.214 -0.0185 -0.69 0.201 -0.0286 -1.31 -1.4113 -0.9545 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 A24 mock treatment 0.178 -0.0545 -2.03 0.177 -0.0526 -2.41 -3.1351 -0.9963 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B01 compound treatment 0.189 -0.0435 -1.62 0.206 -0.0236 -1.08 -1.9069 -0.9808 1911838 Bionet2_001079 Cn1cc(C(=O)O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B02 compound treatment 0.26 0.0275 1.02 0.272 0.0424 1.94 2.0973 0.9554 1911839 Bionet2_001080 CCOc1ncccc1C(=O)Nc2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B03 compound treatment 0.257 0.0245 0.91 0.253 0.0234 1.07 1.4033 0.9968 1911840 Bionet2_001081 CC(C)C(CC(=O)O)N1Cc2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B04 compound treatment 0.253 0.0205 0.76 0.248 0.0184 0.84 1.1362 0.9988 1911841 Bionet2_001082 Cc1ccc(C)n1C(CC(=O)O)c2ccc(C#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B05 compound treatment 0.258 0.0255 0.95 0.248 0.0184 0.84 1.2677 0.9982 1911842 Bionet2_001083 Cc1ccc(C)n1NC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B06 compound treatment 0.24 0.00755 0.28 0.241 0.0114 0.52 0.5676 0.9577 1911843 Bionet2_001084 OC(=O)CCC(=O)c1ccc2CCCc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B07 compound treatment 0.274 0.0415 1.55 0.256 0.0264 1.21 1.9475 0.9926 1911844 Bionet2_001085 O=C1COc2ccc(cc2N1)n3cccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B08 compound treatment 0.326 0.0935 3.48 0.303 0.0734 3.36 4.8368 0.9998 1911845 Bionet2_001086 Clc1ccc(cc1)C2=COc3ccccc3C(=O)N2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B09 compound treatment 0.262 0.0295 1.1 0.257 0.0274 1.25 1.6643 0.9978 1911846 Bionet2_001087 Clc1cccc(CCC(=O)c2cccs2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B10 compound treatment 0.253 0.0205 0.76 0.253 0.0234 1.07 1.298 0.9863 1154192 Bionet2_001088 OC(=O)c1oc2ccccc2c1n3cccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B11 compound treatment 0.255 0.0225 0.84 0.255 0.0254 1.16 1.4154 0.9871 1911847 Bionet2_001089 c1ccc(cc1)c2ccc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B12 compound treatment 0.259 0.0265 0.99 0.259 0.0294 1.35 1.6501 0.9884 1911848 Bionet2_001090 CC(C)(C)n1cc(cn1)C(=O)c2ccccc2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B13 compound treatment 0.256 0.0235 0.88 0.247 0.0174 0.8 1.1827 0.9989 1911849 Bionet2_001091 C(N1CCc2nc3ccccc3cc2C1)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B14 compound treatment 0.259 0.0265 0.99 0.25 0.0204 0.93 1.3587 0.9996 1009047 Bionet2_001092 COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B15 compound treatment 0.253 0.0205 0.76 0.249 0.0194 0.89 1.1685 0.9972 1911850 Bionet2_001093 COC(=O)COc1ccccc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B16 compound treatment 0.259 0.0265 0.99 0.256 0.0264 1.21 1.553 0.995 1392954 Bionet2_001094 COc1cccc(NC(=O)Cc2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B17 compound treatment 0.252 0.0195 0.73 0.249 0.0194 0.89 1.1422 0.9951 1911851 Bionet2_001095 CN1C(=O)S/C(=C/c2cccnc2)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B18 compound treatment 0.255 0.0225 0.84 0.252 0.0224 1.03 1.3183 0.995 1911852 Bionet2_001096 COc1ccc-2c(CCc3cn4ncc(C#N)c4nc32)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B19 compound treatment 0.25 0.0175 0.65 0.247 0.0174 0.8 1.0249 0.9951 1911853 Bionet2_001097 CN1CCN(CC1)c2nc(C)c(Br)c(C)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B20 compound treatment 0.253 0.0205 0.76 0.253 0.0234 1.07 1.298 0.9863 1911854 Bionet2_001098 OCc1cc(Cl)ncc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B21 compound treatment 0.253 0.0205 0.76 0.252 0.0224 1.03 1.2657 0.9895 1911855 Bionet2_001099 Cc1ccccc1C(N)CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B22 compound treatment 0.251 0.0185 0.69 0.243 0.0134 0.61 0.9217 0.9983 1911856 Bionet2_001100 OC(=O)Cc1ccc2ocnc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B23 mock treatment 0.251 0.0185 0.69 0.241 0.0114 0.52 0.8569 0.9905 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 B24 mock treatment 0.201 -0.0315 -1.17 0.189 -0.0406 -1.86 -2.1417 -0.9751 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C01 compound treatment 0.206 -0.0265 -0.98 0.224 -0.0056 -0.26 -0.877 -0.8626 1658013 Bionet2_001101 CCC(=O)c1c[nH]c(c1)C(=O)NCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C02 compound treatment 0.239 0.00655 0.24 0.236 0.0064 0.29 0.3794 0.9958 1401216 Bionet2_001102 COC(=O)CC(N)c1cccc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C03 compound treatment 0.239 0.00655 0.24 0.237 0.0074 0.34 0.4118 0.9869 1911857 Bionet2_001103 Cn1cc(C(O)C(F)(F)F)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C04 compound treatment 0.244 0.0115 0.43 0.239 0.0094 0.43 0.6081 1.0 1911858 Bionet2_001104 FC(F)(F)c1cnc(CC(=O)NC2CCCC2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C05 compound treatment 0.243 0.0105 0.39 0.239 0.0094 0.43 0.5818 0.9989 1911859 Bionet2_001105 Cc1cc2nccc(c3ccccc3)n2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C06 compound treatment 0.243 0.0105 0.39 0.241 0.0114 0.52 0.6465 0.9901 1471443 Bionet2_001106 COc1cc2CCC=Nc2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C07 compound treatment 0.24 0.00755 0.28 0.221 -0.0086 -0.39 -0.0799 -0.1652 1283880 Bionet2_001107 CCC(CC)C(=O)c1c[nH]c(c1)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C08 compound treatment 0.267 0.0345 1.29 0.257 0.0274 1.25 1.7958 0.9999 1911860 Bionet2_001108 COc1ccc(C/N=C/2\SCC(=O)N2c3ccccc3)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C09 compound treatment 0.242 0.00955 0.36 0.236 0.0064 0.29 0.4583 0.9954 1615048 Bionet2_001109 Clc1ccccc1CNC(=O)c2ccc[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C10 compound treatment 0.242 0.00955 0.36 0.243 0.0134 0.61 0.685 0.9662 1911861 Bionet2_001110 Nc1[nH]ncc1c2ccsc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C11 compound treatment 0.238 0.00555 0.21 0.237 0.0074 0.34 0.3855 0.9717 1911862 Bionet2_001111 COC(=O)[C@@H]1CC(=C(C)C[C@H]1C(=O)OC)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C12 compound treatment 0.247 0.0145 0.54 0.25 0.0204 0.93 1.0431 0.9663 1197696 Bionet2_001112 O=C(NCCc1ccccn1)c2cc(c[nH]2)C(=O)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C13 compound treatment 0.232 -4.52E-4 -0.02 0.228 -0.0016 -0.07 -0.0637 -0.8473 1669134 Bionet2_001113 O=C(NCc1ccncc1)c2cc(c[nH]2)C(=O)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C14 compound treatment 0.235 0.00255 0.09 0.234 0.0044 0.2 0.2095 0.9409 1632097 Bionet2_001114 COc1ccc(cc1)c2c[nH]nc2c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C15 compound treatment 0.237 0.00455 0.17 0.241 0.0114 0.52 0.4887 0.8907 1719844 Bionet2_001115 CC(C)CC(N1Cc2ccccc2C1=O)C(=O)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C16 compound treatment 0.249 0.0165 0.62 0.251 0.0214 0.98 1.1281 0.9749 1911863 Bionet2_001116 Cc1cc2ncc(C(=O)O)c(n2n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C17 compound treatment 0.253 0.0205 0.76 0.254 0.0244 1.12 1.3304 0.9829 1911864 Bionet2_001117 COC(=O)/C=C/c1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C18 compound treatment 0.252 0.0195 0.73 0.249 0.0194 0.89 1.1422 0.9951 1569243 Bionet2_001118 O=C(Nc1ccc2OCOc2c1)Oc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C19 compound treatment 0.247 0.0145 0.54 0.241 0.0114 0.52 0.7517 0.9998 1911865 Bionet2_001119 COC(=O)/C=C/c1ccc2OCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C20 compound treatment 0.25 0.0175 0.65 0.243 0.0134 0.61 0.8954 0.9995 1911866 Bionet2_001120 O=C(Nc1ccc2OCC(=O)Nc2c1)Oc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C21 compound treatment 0.24 0.00755 0.28 0.238 0.0084 0.38 0.4705 0.988 1911867 Bionet2_001121 CCOC(=O)c1c(C)nn(c1C)c2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C22 compound treatment 0.242 0.00955 0.36 0.239 0.0094 0.43 0.5555 0.9954 1911868 Bionet2_001122 CCc1ccc2c(C)cc(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C23 mock treatment 0.235 0.00255 0.09 0.232 0.0024 0.11 0.1447 0.9973 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 C24 mock treatment 0.211 -0.0215 -0.8 0.191 -0.0386 -1.77 -1.8139 -0.9354 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D01 compound treatment 0.205 -0.0275 -1.02 0.222 -0.0076 -0.35 -0.9681 -0.8974 1911869 Bionet2_001123 COc1ccc(/C=C/2\SC(=O)N(C)C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D02 compound treatment 0.248 0.0155 0.58 0.247 0.0174 0.8 0.9723 0.9876 1911870 Bionet2_001124 CCOc1ncccc1C(=O)NCc2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D03 compound treatment 0.25 0.0175 0.65 0.25 0.0204 0.93 1.122 0.9846 1911871 Bionet2_001125 OC(=O)CC(C1CCC=CC1)N2Cc3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D04 compound treatment 0.247 0.0145 0.54 0.251 0.0214 0.98 1.0755 0.9608 1911872 Bionet2_001126 Cc1ccc(C)n1C(CC(=O)O)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D05 compound treatment 0.272 0.0395 1.47 0.273 0.0434 1.99 2.4453 0.989 1911873 Bionet2_001127 CN(C)c1ccc(/C=C/C=N/c2sccc2C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D06 compound treatment 0.25 0.0175 0.65 0.249 0.0194 0.89 1.0896 0.9885 1911874 Bionet2_001128 Nc1nc2ccccc2cc1c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D07 compound treatment 0.291 0.0585 2.18 0.287 0.0574 2.63 3.3983 0.9956 1253203 Bionet2_001129 O=C(Nc1sc2CCCCc2c1C#N)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D08 compound treatment 0.255 0.0225 0.84 0.256 0.0264 1.21 1.4478 0.9841 1911875 Bionet2_001130 Clc1ncc(CSCc2ccccc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D09 compound treatment 0.253 0.0205 0.76 0.249 0.0194 0.89 1.1685 0.9972 1911876 Bionet2_001131 CS(=O)(=O)Nc1cccc2[nH]ncc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D10 compound treatment 0.249 0.0165 0.62 0.25 0.0204 0.93 1.0957 0.9795 1911877 Bionet2_001132 COc1ccc(CNC(=O)c2oc3ccccc3c2n4cccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D11 compound treatment 0.257 0.0245 0.91 0.254 0.0244 1.12 1.4356 0.995 1911878 Bionet2_001133 CN1C(=O)SC(Cc2ccc(N)cc2)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D12 compound treatment 0.242 0.00955 0.36 0.249 0.0194 0.89 0.8792 0.9191 1911879 Bionet2_001134 Cc1ccn2cc(nc2c1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D13 compound treatment 0.293 0.0605 2.25 0.28 0.0504 2.31 3.2242 0.9999 1911880 Bionet2_001135 Cc1ccc(o1)c2ccc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D14 compound treatment 0.252 0.0195 0.73 0.262 0.0324 1.48 1.5631 0.9461 1911881 Bionet2_001136 Nc1cc(ccc1NCCC(=O)O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D15 compound treatment 0.25 0.0175 0.65 0.247 0.0174 0.8 1.0249 0.9951 1911882 Bionet2_001137 Fc1ccccc1/C(=C\c2cccc(Oc3ncccn3)c2)/C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D16 compound treatment 0.252 0.0195 0.73 0.253 0.0234 1.07 1.2717 0.9822 1911883 Bionet2_001138 FC(F)(F)c1ccc2NCCC(=O)Nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D17 compound treatment 0.262 0.0295 1.1 0.262 0.0324 1.48 1.8261 0.9891 1911884 Bionet2_001139 CC(C(=O)O)c1ccc(N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D18 compound treatment 0.251 0.0185 0.69 0.25 0.0204 0.93 1.1483 0.9889 1911885 Bionet2_001140 Fc1ccc(cc1)C(=O)CCCN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D19 compound treatment 0.25 0.0175 0.65 0.246 0.0164 0.75 0.9925 0.9976 1911886 Bionet2_001141 CN1C(=O)SC(Cc2ccc(C#N)cc2)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D20 compound treatment 0.256 0.0235 0.88 0.254 0.0244 1.12 1.4093 0.9927 1911887 Bionet2_001142 CSc1nc2nc(ccn2n1)c3ccc4CCCc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D21 compound treatment 0.249 0.0165 0.62 0.249 0.0194 0.89 1.0633 0.9839 1911888 Bionet2_001143 Cc1cccc(c1)C(N)CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D22 compound treatment 0.246 0.0135 0.5 0.243 0.0134 0.61 0.7902 0.9952 1911889 Bionet2_001144 OCCCc1cn2ncc(C#N)c2nc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D23 mock treatment 0.247 0.0145 0.54 0.243 0.0134 0.61 0.8165 0.998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 D24 mock treatment 0.209 -0.0235 -0.87 0.22 -0.0096 -0.44 -0.9276 -0.9497 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E01 compound treatment 0.22 -0.0125 -0.46 0.234 0.0044 0.2 -0.185 -0.3664 1118250 Bionet2_001145 CCC(=O)c1c[nH]c(c1)C(=O)NCc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E02 compound treatment 0.252 0.0195 0.73 0.248 0.0184 0.84 1.1099 0.9973 1594437 Bionet2_001146 CC(=O)Nc1cc(Cl)c(C)cc1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E03 compound treatment 0.245 0.0125 0.47 0.247 0.0174 0.8 0.8934 0.9675 1911890 Bionet2_001147 O[C@H](CN1CCC2(CC1)OCCO2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E04 compound treatment 0.273 0.0405 1.51 0.27 0.0404 1.85 2.3745 0.9949 1277269 Bionet2_001148 Clc1ccc(cc1)C(=O)Nc2ccc(cc2)n3cccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E05 compound treatment 0.244 0.0115 0.43 0.244 0.0144 0.66 0.77 0.9784 1911891 Bionet2_001149 c1ccn(c1)c2ccc3nccnc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E06 compound treatment 0.252 0.0195 0.73 0.247 0.0174 0.8 1.0775 0.999 1395054 Bionet2_001150 COC(=O)CC1COc2ccccc2N1C(=O)c3cccc(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E07 compound treatment 0.277 0.0445 1.66 0.272 0.0424 1.94 2.5444 0.9969 1122738 Bionet2_001151 CCC(CC)C(=O)c1c[nH]c(c1)C(=O)NCc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E08 compound treatment 0.257 0.0245 0.91 0.253 0.0234 1.07 1.4033 0.9968 1911892 Bionet2_001152 O=C(NCCCn1ccnc1)c2cc(c[nH]2)C(=O)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E09 compound treatment 0.254 0.0215 0.8 0.251 0.0214 0.98 1.2596 0.995 1624834 Bionet2_001153 Cc1ccccc1C(CC(=O)O)N2Cc3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E10 compound treatment 0.255 0.0225 0.84 0.255 0.0254 1.16 1.4154 0.9871 1911893 Bionet2_001154 C1Oc2ccc(cc2O1)c3ccn[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E11 compound treatment 0.238 0.00555 0.21 0.243 0.0134 0.61 0.5798 0.8956 1911894 Bionet2_001155 COC(=O)/C=C/c1cncc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E12 compound treatment 0.278 0.0455 1.69 0.278 0.0484 2.22 2.765 0.9912 1911895 Bionet2_001156 C[C@H](NC(=O)Cc1ncc(cc1Cl)C(F)(F)F)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E13 compound treatment 0.258 0.0255 0.95 0.255 0.0254 1.16 1.4943 0.995 1594869 Bionet2_001157 OC(=O)CC(N1Cc2ccccc2C1=O)c3cccc(O)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E14 compound treatment 0.252 0.0195 0.73 0.255 0.0254 1.16 1.3365 0.9744 1911896 Bionet2_001158 N#Cc1ccccc1n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E15 compound treatment 0.255 0.0225 0.84 0.252 0.0224 1.03 1.3183 0.995 1364920 Bionet2_001159 Fc1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c4ccccc24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E16 compound treatment 0.256 0.0235 0.88 0.255 0.0254 1.16 1.4417 0.9902 1911897 Bionet2_001160 COc1ccc(cc1)c2csc(n2)n3nc(C)cc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E17 compound treatment 0.264 0.0315 1.17 0.266 0.0364 1.67 2.0082 0.9853 1060495 Bionet2_001161 Brc1ccc(cc1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E18 compound treatment 0.256 0.0235 0.88 0.256 0.0264 1.21 1.4741 0.9875 1911898 Bionet2_001162 OC(CCN1CCN(CC1)C(c2ccccc2)c3ccccc3)C(F)(F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E19 compound treatment 0.251 0.0185 0.69 0.253 0.0234 1.07 1.2454 0.9773 1911899 Bionet2_001163 COC(=O)CC(c1ccc(Br)cc1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E20 compound treatment 0.281 0.0485 1.81 0.258 0.0284 1.3 2.1964 0.987 1911900 Bionet2_001164 COc1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E21 compound treatment 0.254 0.0215 0.8 0.256 0.0264 1.21 1.4215 0.9801 1365185 Bionet2_001165 Cc1ccc(C)c(c1)n2ncc(c2O)n3cncn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E22 compound treatment 0.252 0.0195 0.73 0.247 0.0174 0.8 1.0775 0.999 1911901 Bionet2_001166 CCc1ccc2c(cc(=O)oc2c1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E23 mock treatment 0.248 0.0155 0.58 0.243 0.0134 0.61 0.8428 0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 E24 mock treatment 0.224 -0.00845 -0.31 0.223 -0.0066 -0.3 -0.436 -0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F01 compound treatment 0.214 -0.0185 -0.69 0.221 -0.0086 -0.39 -0.7637 -0.9652 1911902 Bionet2_001167 CCN1C(=O)S/C(=C\c2cccc(Cl)c2)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F02 compound treatment 0.254 0.0215 0.8 0.254 0.0244 1.12 1.3567 0.9867 1911903 Bionet2_001168 OC(=O)CC(c1ccc(Br)cc1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F03 compound treatment 0.257 0.0245 0.91 0.255 0.0254 1.16 1.468 0.9928 1911904 Bionet2_001169 CCC(CC)C(CC(=O)O)N1Cc2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F04 compound treatment 0.261 0.0285 1.06 0.264 0.0344 1.58 1.8646 0.9816 1911905 Bionet2_001170 Cc1nc(cn1Cc2ccc(F)cc2)c3ccc4ccccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F05 compound treatment 0.258 0.0255 0.95 0.253 0.0234 1.07 1.4296 0.9982 1911906 Bionet2_001171 N/C(=N\O)/c1ccccc1n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F06 compound treatment 0.259 0.0265 0.99 0.256 0.0264 1.21 1.553 0.995 1022481 Bionet2_001172 OC(=O)c1ccccc1C(=O)c2ccc3CCCc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F07 compound treatment 0.258 0.0255 0.95 0.252 0.0224 1.03 1.3972 0.9993 1911907 Bionet2_001173 Cc1ccc(C)n1NC(=O)c2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F08 compound treatment 0.265 0.0325 1.21 0.261 0.0314 1.44 1.8727 0.9963 1911908 Bionet2_001174 CN1C(=O)S/C(=C\C=C\c2ccccc2)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F09 compound treatment 0.252 0.0195 0.73 0.258 0.0284 1.3 1.4336 0.9623 1911909 Bionet2_001175 Oc1cccc(c1)c2ccc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F10 compound treatment 0.259 0.0265 0.99 0.256 0.0264 1.21 1.553 0.995 1911910 Bionet2_001176 Cc1ccc(COc2coc(CO)cc2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F11 compound treatment 0.252 0.0195 0.73 0.254 0.0244 1.12 1.3041 0.9784 1911911 Bionet2_001177 COc1cccc2c(Cl)c(CCCl)c(C)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F12 compound treatment 0.267 0.0345 1.29 0.265 0.0354 1.62 2.0548 0.9934 1911912 Bionet2_001178 CCOC(=O)CC(c1ccc(N)cc1)n2c(C)ccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F13 compound treatment 0.29 0.0575 2.14 0.284 0.0544 2.49 3.2748 0.9972 1911913 Bionet2_001179 Brc1ccc(s1)c2ccc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F14 compound treatment 0.256 0.0235 0.88 0.271 0.0414 1.9 1.9597 0.9385 1911914 Bionet2_001180 Cc1ccnc(n1)S(=O)(=O)Cc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F15 compound treatment 0.258 0.0255 0.95 0.257 0.0274 1.25 1.5591 0.9906 1911915 Bionet2_001181 Cc1nn(C)c(Cl)c1NC(=O)OCC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F16 compound treatment 0.287 0.0545 2.03 0.289 0.0594 2.72 3.3578 0.9896 1911916 Bionet2_001182 COc1cccc2[nH]c(=O)c(cc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F17 compound treatment 0.269 0.0365 1.36 0.27 0.0404 1.85 2.2693 0.9885 1911917 Bionet2_001183 Brc1cc(Br)c2nc(ccc2c1)c3nccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F18 compound treatment 0.246 0.0135 0.5 0.251 0.0214 0.98 1.0492 0.9522 1911918 Bionet2_001184 Cc1ccc(CN2C(=O)CCNc3ccc(cc23)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F19 compound treatment 0.253 0.0205 0.76 0.252 0.0224 1.03 1.2657 0.9895 1911919 Bionet2_001185 Cc1nc2c(C#N)c(ccn2n1)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F20 compound treatment 0.248 0.0155 0.58 0.246 0.0164 0.75 0.9399 0.9917 1911920 Bionet2_001186 COc1ccc(cc1OC)C(N)CCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F21 compound treatment 0.255 0.0225 0.84 0.256 0.0264 1.21 1.4478 0.9841 1911921 Bionet2_001187 NC(CC(=O)O)c1ccsc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F22 compound treatment 0.25 0.0175 0.65 0.25 0.0204 0.93 1.122 0.9846 1911922 Bionet2_001188 Cn1nc(c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1N3CCOCC3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F23 mock treatment 0.253 0.0205 0.76 0.247 0.0174 0.8 1.1038 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 F24 mock treatment 0.243 0.0105 0.39 0.224 -0.0056 -0.26 0.0961 0.2051 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G01 compound treatment 0.227 -0.00545 -0.2 0.232 0.0024 0.11 -0.0657 -0.2848 1911923 Bionet2_001189 CCC(=O)c1c[nH]c(c1)C(=O)NCCCn2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G02 compound treatment 0.242 0.00955 0.36 0.24 0.0104 0.48 0.5878 0.9896 1911924 Bionet2_001190 FC(F)(F)c1cccc(c1)C(=O)NCCN2CCN(CC2)C(=O)c3cccc(c3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G03 compound treatment 0.247 0.0145 0.54 0.247 0.0174 0.8 0.946 0.9822 1204294 Bionet2_001191 COc1ccc(cc1)C(=O)Nc2ccc(N3CCOCC3)c(F)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G04 compound treatment 0.259 0.0265 0.99 0.247 0.0174 0.8 1.2616 0.9943 1911925 Bionet2_001192 Clc1nc(nc2ccsc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G05 compound treatment 0.249 0.0165 0.62 0.251 0.0214 0.98 1.1281 0.9749 1403054 Bionet2_001193 OC(=O)CC(N1Cc2ccccc2C1=O)c3ccc(Cl)c(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G06 compound treatment 0.251 0.0185 0.69 0.251 0.0214 0.98 1.1807 0.9853 1911926 Bionet2_001194 Cc1cc(n(n1)c2nc(CCl)cs2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G07 compound treatment 0.249 0.0165 0.62 0.248 0.0184 0.84 1.031 0.9881 1703175 Bionet2_001195 CCC(CC)C(=O)c1c[nH]c(c1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G08 compound treatment 0.275 0.0425 1.58 0.273 0.0434 1.99 2.5242 0.9936 1911927 Bionet2_001196 Brc1ccc(cc1)c2cn3ccsc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G09 compound treatment 0.249 0.0165 0.62 0.253 0.0234 1.07 1.1928 0.9654 1709618 Bionet2_001197 OC(=O)CC(N1Cc2ccccc2C1=O)c3ccc(O)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G10 compound treatment 0.237 0.00455 0.17 0.255 0.0254 1.16 0.942 0.8015 1911928 Bionet2_001198 COC(=O)c1ccc(cc1)c2cnco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G11 compound treatment 0.265 0.0325 1.21 0.269 0.0394 1.8 2.1317 0.9812 1263687 Bionet2_001199 Ic1ccc2nc(cn2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G12 compound treatment 0.242 0.00955 0.36 0.25 0.0204 0.93 0.9116 0.9122 1177278 Bionet2_001200 CC(C)(C)c1ccc(Cn2cnc(C#N)c2C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G13 compound treatment 0.253 0.0205 0.76 0.249 0.0194 0.89 1.1685 0.9972 1613534 Bionet2_001201 CCc1ccc(cc1)C(N)CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G14 compound treatment 0.26 0.0275 1.02 0.26 0.0304 1.39 1.7088 0.9886 1911929 Bionet2_001202 FC(F)(F)C(=O)Nc1ccc(C#Cc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G15 compound treatment 0.252 0.0195 0.73 0.25 0.0204 0.93 1.1746 0.9923 1911930 Bionet2_001203 Cc1ccc(C)n1CCc2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G16 compound treatment 0.252 0.0195 0.73 0.253 0.0234 1.07 1.2717 0.9822 1911931 Bionet2_001204 Clc1ccc(cc1)c2cnc3SC[C@@H](CBr)[n+]3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G17 compound treatment 0.26 0.0275 1.02 0.259 0.0294 1.35 1.6764 0.9909 1911932 Bionet2_001205 COC(=O)/C=C/c1cccc(Br)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G18 compound treatment 0.267 0.0345 1.29 0.267 0.0374 1.71 2.1195 0.99 1911933 Bionet2_001206 Cc1cc(C)n(n1)c2nc(cs2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G19 compound treatment 0.281 0.0485 1.81 0.28 0.0504 2.31 2.9086 0.9926 1911934 Bionet2_001207 O/N=C/c1ccn(c1)c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G20 compound treatment 0.282 0.0495 1.84 0.275 0.0454 2.08 2.7731 0.9982 1911935 Bionet2_001208 Clc1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G21 compound treatment 0.248 0.0155 0.58 0.247 0.0174 0.8 0.9723 0.9876 1911936 Bionet2_001209 O=C(Cn1cncn1)NCCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G22 compound treatment 0.252 0.0195 0.73 0.252 0.0224 1.03 1.2394 0.9858 1911937 Bionet2_001210 COC(=O)CC1COc2ccccc2N1C(=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G23 mock treatment 0.245 0.0125 0.47 0.242 0.0124 0.57 0.7315 0.9953 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 G24 mock treatment 0.237 0.00455 0.17 0.218 -0.0116 -0.53 -0.2559 -0.4591 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H01 compound treatment 0.235 0.00255 0.09 0.226 -0.0036 -0.16 -0.0495 -0.2605 1911938 Bionet2_001211 Clc1cnc(c(Br)c1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H02 compound treatment 0.247 0.0145 0.54 0.249 0.0194 0.89 1.0107 0.9718 1911939 Bionet2_001212 OC(=O)CC(c1ccsc1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H03 compound treatment 0.255 0.0225 0.84 0.251 0.0214 0.98 1.2859 0.997 1911940 Bionet2_001213 COc1ccc(cc1)S(=O)(=O)n2ccc(n2)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H04 compound treatment 0.284 0.0515 1.92 0.274 0.0444 2.03 2.7933 0.9996 1911941 Bionet2_001214 Cc1c(sc2ncnn12)c3ccc4ccccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H05 compound treatment 0.255 0.0225 0.84 0.251 0.0214 0.98 1.2859 0.997 1911942 Bionet2_001215 NC(CC(=O)O)C1CCC=CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H06 compound treatment 0.247 0.0145 0.54 0.251 0.0214 0.98 1.0755 0.9608 1911943 Bionet2_001216 O=C1OC(c2ccccc12)c3ccc4CCCc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H07 compound treatment 0.256 0.0235 0.88 0.253 0.0234 1.07 1.3769 0.995 1911944 Bionet2_001217 O=C1NC(=O)C(Cc2ccccc2)S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H08 compound treatment 0.257 0.0245 0.91 0.262 0.0324 1.48 1.6946 0.9728 1911945 Bionet2_001218 CNc1nc(cs1)c2cccc(N)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H09 compound treatment 0.251 0.0185 0.69 0.251 0.0214 0.98 1.1807 0.9853 1911946 Bionet2_001219 Cc1cc2ccccc2nc1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H10 compound treatment 0.257 0.0245 0.91 0.259 0.0294 1.35 1.5975 0.9821 1911947 Bionet2_001220 CC1(C)CN(C1=O)c2cccc(c2)C(=O)c3cn(nn3)c4ccc(cc4)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H11 compound treatment 0.253 0.0205 0.76 0.25 0.0204 0.93 1.2009 0.995 1911948 Bionet2_001221 Clc1cnc(nc1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H12 compound treatment 0.261 0.0285 1.06 0.265 0.0354 1.62 1.897 0.979 1911949 Bionet2_001222 COCc1cc(Cl)nc2cc(NC(=O)C(F)(F)F)c(C)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H13 compound treatment 0.303 0.0705 2.62 0.295 0.0654 2.99 3.9729 0.9978 1911950 Bionet2_001223 Brc1ccc(cc1)c2ccc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H14 compound treatment 0.247 0.0145 0.54 0.248 0.0184 0.84 0.9784 0.9771 1911951 Bionet2_001224 CN1CCN(CC1)c2ccc(cc2N)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H15 compound treatment 0.27 0.0375 1.4 0.269 0.0394 1.8 2.2632 0.992 1911952 Bionet2_001225 Cc1cc(nc(n1)n2cccc2)c3ccc(Cl)s3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H16 compound treatment 0.249 0.0165 0.62 0.255 0.0254 1.16 1.2576 0.9557 1732332 Bionet2_001226 Cc1ccc(s1)C(=O)c2ccccc2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H17 compound treatment 0.261 0.0285 1.06 0.256 0.0264 1.21 1.6056 0.9979 1911953 Bionet2_001227 Cc1cc2ccccc2nc1c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H18 compound treatment 0.254 0.0215 0.8 0.253 0.0234 1.07 1.3243 0.9898 1911954 Bionet2_001228 COC(=O)c1ccc2N3CCCC3C(=O)Nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H19 compound treatment 0.262 0.0295 1.1 0.259 0.0294 1.35 1.729 0.9949 1911955 Bionet2_001229 FC(F)(F)c1cccc(c1)c2ccc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H20 compound treatment 0.248 0.0155 0.58 0.246 0.0164 0.75 0.9399 0.9917 1911956 Bionet2_001230 COc1ccc2-c3n[nH]cc3CCc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H21 compound treatment 0.252 0.0195 0.73 0.248 0.0184 0.84 1.1099 0.9973 1390357 Bionet2_001231 CSc1ccc(cc1)C(N)CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H22 compound treatment 0.261 0.0285 1.06 0.257 0.0274 1.25 1.638 0.9966 1911957 Bionet2_001232 COC(=O)c1ccc2nc(cn2c1)c3cccc(N)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H23 mock treatment 0.25 0.0175 0.65 0.248 0.0184 0.84 1.0573 0.992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 H24 mock treatment 0.249 0.0165 0.62 0.229 -6.0E-4 -0.03 0.4158 0.6749 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I01 compound treatment 0.249 0.0165 0.62 0.25 0.0204 0.93 1.0957 0.9795 1217311 Bionet2_001233 CCC(=O)c1c[nH]c(c1)C(=O)Nc2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I02 compound treatment 0.25 0.0175 0.65 0.25 0.0204 0.93 1.122 0.9846 1553580 Bionet2_001234 Clc1cccc(c1)c2nc3ccc(cc3c(=O)[nH]2)N4CCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I03 compound treatment 0.234 0.00155 0.06 0.229 -6.0E-4 -0.03 0.0213 0.3338 1911958 Bionet2_001235 CCOC(=O)c1c(C)nn(c1C)c2ccnc3cc(Cl)ccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I04 compound treatment 0.265 0.0325 1.21 0.256 0.0264 1.21 1.7108 1.0 1549304 Bionet2_001236 Cc1ccc(CSc2nnc3c4ccccc4[nH]c3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I05 compound treatment 0.253 0.0205 0.76 0.258 0.0284 1.3 1.4599 0.9679 1223364 Bionet2_001237 OC(=O)CC(N1Cc2ccccc2C1=O)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I06 compound treatment 0.253 0.0205 0.76 0.257 0.0274 1.25 1.4276 0.9718 1911959 Bionet2_001238 Cn1ncc(C(=O)CC#N)c1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I07 compound treatment 0.269 0.0365 1.36 0.271 0.0414 1.9 2.3016 0.9867 1530948 Bionet2_001239 Cc1ccccc1C(=O)c2c[nH]c(c2)C(=O)NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I08 compound treatment 0.29 0.0575 2.14 0.288 0.0584 2.67 3.4044 0.9939 1440120 Bionet2_001240 Fc1ccc(CNC(=O)c2cc(c[nH]2)C(=O)c3ccc(F)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I09 compound treatment 0.26 0.0275 1.02 0.257 0.0274 1.25 1.6117 0.995 1270771 Bionet2_001241 COC(=O)CC(N1Cc2ccccc2C1=O)c3ccc(O)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I10 compound treatment 0.259 0.0265 0.99 0.261 0.0314 1.44 1.7149 0.9832 1911960 Bionet2_001242 c1cnn(c1)c2ccc(cc2)c3cnco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I11 compound treatment 0.285 0.0525 1.95 0.29 0.0604 2.77 3.3376 0.9856 1911961 Bionet2_001243 Cc1cc(C)c2c(n[nH]c2n1)n3cccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I12 compound treatment 0.259 0.0265 0.99 0.264 0.0344 1.58 1.812 0.9747 1911962 Bionet2_001244 OC(=O)/C=C\c1cccn1c2nccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I13 compound treatment 0.249 0.0165 0.62 0.255 0.0254 1.16 1.2576 0.9557 1454068 Bionet2_001245 CC(=O)N1CCC(CC1)C(=O)c2c(C)c(C)c(C)c(C)c2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I14 compound treatment 0.252 0.0195 0.73 0.251 0.0214 0.98 1.207 0.9892 1911963 Bionet2_001246 OC(=O)c1cc2ccc(Br)cc2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I15 compound treatment 0.248 0.0155 0.58 0.252 0.0224 1.03 1.1342 0.9632 1161471 Bionet2_001247 CCCCN1C(C(CCC1=O)C(=O)O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I16 compound treatment 0.403 0.171 6.34 0.371 0.141 6.47 9.0636 0.9999 1911964 Bionet2_001248 Cc1cccc(N/C=C/C(=O)c2cccs2)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I17 compound treatment 0.241 0.00855 0.32 0.238 0.0084 0.38 0.4968 0.9955 1911965 Bionet2_001249 CC(Oc1ccc(Cl)cc1Cl)c2ccnc3cc(C)nn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I18 compound treatment 0.266 0.0335 1.25 0.263 0.0334 1.53 1.9637 0.9949 1911966 Bionet2_001250 FC(F)(F)c1cc(n2nc(cc2n1)c3ccccc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I19 compound treatment 0.252 0.0195 0.73 0.256 0.0264 1.21 1.3689 0.9704 1911967 Bionet2_001251 COC(=O)c1cccn1c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I20 compound treatment 0.253 0.0205 0.76 0.251 0.0214 0.98 1.2333 0.9925 1911968 Bionet2_001252 CC(NC(=O)c1c[nH]c2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I21 compound treatment 0.253 0.0205 0.76 0.247 0.0174 0.8 1.1038 0.9998 1911969 Bionet2_001253 Cc1nc2ncnn2c(C)c1Cc3cccc(c3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I22 compound treatment 0.255 0.0225 0.84 0.254 0.0244 1.12 1.383 0.99 1911970 Bionet2_001254 COC(=O)CC1COc2ccccc2N1C(=O)/C=C/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I23 mock treatment 0.253 0.0205 0.76 0.251 0.0214 0.98 1.2333 0.9925 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 I24 mock treatment 0.237 0.00455 0.17 0.235 0.0054 0.25 0.2945 0.9829 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J01 compound treatment 0.217 -0.0155 -0.57 0.234 0.0044 0.2 -0.2639 -0.4334 1911971 Bionet2_001255 COC(=O)C(NC(=O)c1c(C)nn(C)c1Cl)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J02 compound treatment 0.246 0.0135 0.5 0.247 0.0174 0.8 0.9197 0.9756 1911972 Bionet2_001256 OC(=O)CC(C1CCCCC1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J03 compound treatment 0.251 0.0185 0.69 0.246 0.0164 0.75 1.0188 0.9991 1911973 Bionet2_001257 Cn1cc(C(=O)N2CCOCC2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J04 compound treatment 0.269 0.0365 1.36 0.258 0.0284 1.3 1.8807 0.9998 1911974 Bionet2_001258 CC1=NC(=C(NC(C1)c2c(F)cccc2Cl)C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J05 compound treatment 0.352 0.12 4.45 0.329 0.0994 4.55 6.3624 0.9999 1911975 Bionet2_001259 Cc1ccc(/C=C/2\SC(=O)NC2=O)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J06 compound treatment 0.245 0.0125 0.47 0.253 0.0234 1.07 1.0876 0.9307 1911976 Bionet2_001260 Nc1cccnc1n2nc(cc2C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J07 compound treatment 0.255 0.0225 0.84 0.252 0.0224 1.03 1.3183 0.995 1911977 Bionet2_001261 CC(C)Oc1cccc(NC(=O)Cc2ncc(cc2Cl)C(F)(F)F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J08 compound treatment 0.245 0.0125 0.47 0.244 0.0144 0.66 0.7963 0.9857 1911978 Bionet2_001262 Cc1nc2ccc(NC(=O)c3cccc(c3)C(F)(F)F)cc2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J09 compound treatment 0.252 0.0195 0.73 0.249 0.0194 0.89 1.1422 0.9951 1911979 Bionet2_001263 c1cc(n[nH]1)c2cc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J10 compound treatment 0.245 0.0125 0.47 0.247 0.0174 0.8 0.8934 0.9675 1911980 Bionet2_001264 OC1CC(NC(=O)C(F)(F)F)c2ccsc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J11 compound treatment 0.252 0.0195 0.73 0.253 0.0234 1.07 1.2717 0.9822 1911981 Bionet2_001265 Oc1ccccc1Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J12 compound treatment 0.272 0.0395 1.47 0.272 0.0424 1.94 2.4129 0.9906 1911982 Bionet2_001266 CC1(C)CC(=O)C(=CNc2ccc(OC(F)(F)F)cc2)C(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J13 compound treatment 0.247 0.0145 0.54 0.255 0.0254 1.16 1.205 0.9394 1911983 Bionet2_001267 COc1cc(CCC(O)c2ccc(C)cc2)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J14 compound treatment 0.245 0.0125 0.47 0.246 0.0164 0.75 0.861 0.9738 1911984 Bionet2_001268 Nc1ccccc1Cn2cccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J15 compound treatment 0.257 0.0245 0.91 0.256 0.0264 1.21 1.5004 0.9904 1911985 Bionet2_001269 COc1cccc2c3SCCc3c(C)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J16 compound treatment 0.244 0.0115 0.43 0.249 0.0194 0.89 0.9318 0.9444 1303151 Bionet2_001270 COc1ccc(cc1)C(=O)NCCc2c[nH]c3ccc(OC)cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J17 compound treatment 0.259 0.0265 0.99 0.257 0.0274 1.25 1.5854 0.993 1911986 Bionet2_001271 Cc1cc(C)c(C#N)c(n1)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J18 compound treatment 0.269 0.0365 1.36 0.263 0.0334 1.53 2.0426 0.9983 1911987 Bionet2_001272 OC(=O)c1ccc2N3CCCC3C(=O)Nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J19 compound treatment 0.248 0.0155 0.58 0.249 0.0194 0.89 1.037 0.9784 1911988 Bionet2_001273 Nc1nc2ccccc2cc1S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J20 compound treatment 0.276 0.0435 1.62 0.265 0.0354 1.62 2.2915 1.0 1911989 Bionet2_001274 COC(=O)c1[nH]c2ccccc2c1I 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J21 compound treatment 0.252 0.0195 0.73 0.252 0.0224 1.03 1.2394 0.9858 1911990 Bionet2_001275 FC(F)(F)C(=O)NC1CNC(=O)c2cc3OCOc3cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J22 compound treatment 0.248 0.0155 0.58 0.243 0.0134 0.61 0.8428 0.9996 1911991 Bionet2_001276 Cc1nc2nc(cc(O)n2n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J23 mock treatment 0.249 0.0165 0.62 0.242 0.0124 0.57 0.8367 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 J24 mock treatment 0.226 -0.00645 -0.24 0.235 0.0054 0.25 0.0051 0.0149 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K01 compound treatment 0.223 -0.00945 -0.35 0.235 0.0054 0.25 -0.0738 -0.1716 1221634 Bionet2_001277 CCC(=O)c1c[nH]c(c1)C(=O)NCc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K02 compound treatment 0.252 0.0195 0.73 0.25 0.0204 0.93 1.1746 0.9923 1731204 Bionet2_001278 OC(=O)c1cccn1c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K03 compound treatment 0.243 0.0105 0.39 0.245 0.0154 0.71 0.776 0.9617 1479290 Bionet2_001279 C1Cc2[nH]cnc2C(N1)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K04 compound treatment 0.255 0.0225 0.84 0.245 0.0154 0.71 1.0916 0.9963 1911992 Bionet2_001280 FC(F)(F)c1nnc(nc1Oc2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K05 compound treatment 0.268 0.0355 1.32 0.269 0.0394 1.8 2.2106 0.9883 1551208 Bionet2_001281 CC(C)(C)c1cc(=O)[nH]c(SCc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K06 compound treatment 0.253 0.0205 0.76 0.255 0.0254 1.16 1.3628 0.9793 1911993 Bionet2_001282 O/N=C(/NCc1ccccc1)\c2cccc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K07 compound treatment 0.248 0.0155 0.58 0.256 0.0264 1.21 1.2637 0.943 1911994 Bionet2_001283 O=C(Cc1ccccc1)c2c[nH]c(c2)C(=O)NCCCn3ccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K08 compound treatment 0.242 0.00955 0.36 0.244 0.0144 0.66 0.7174 0.9579 1911995 Bionet2_001284 CC(C(=O)NCc1ccncc1)n2c(nc3ccccc23)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K09 compound treatment 0.25 0.0175 0.65 0.255 0.0254 1.16 1.2839 0.9627 1911996 Bionet2_001285 CC(C(=O)O)n1c(nc2ccccc12)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K10 compound treatment 0.282 0.0495 1.84 0.27 0.0404 1.85 2.6112 1.0 1422199 Bionet2_001286 COc1cccc(c1)C(=O)c2c[nH]c(c2)C(=O)NCc3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K11 compound treatment 0.256 0.0235 0.88 0.25 0.0204 0.93 1.2798 0.9995 1911997 Bionet2_001287 Cc1cc(C)n(n1)c2ncccc2C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K12 compound treatment 0.25 0.0175 0.65 0.256 0.0264 1.21 1.3163 0.9582 1911998 Bionet2_001288 Fc1ccc(cc1)C(=O)c2cn(nn2)c3ccc(F)c(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K13 compound treatment 0.251 0.0185 0.69 0.257 0.0274 1.25 1.375 0.9603 1432746 Bionet2_001289 OC(=O)C1CCC(=O)N(C2CCCCC2)C1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K14 compound treatment 0.267 0.0345 1.29 0.261 0.0314 1.44 1.9253 0.9984 1638822 Bionet2_001290 COC(C(=O)OC)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K15 compound treatment 0.271 0.0385 1.43 0.27 0.0404 1.85 2.3219 0.9921 1911999 Bionet2_001291 FC(F)(F)c1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c4ccccc24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K16 compound treatment 0.215 -0.0175 -0.65 0.22 -0.0096 -0.44 -0.7698 -0.982 1912000 Bionet2_001292 C/C(=N\c1cc(C)n[nH]1)/C2CCOC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K17 compound treatment 0.256 0.0235 0.88 0.255 0.0254 1.16 1.4417 0.9902 1912001 Bionet2_001293 FC(F)(F)Oc1ccc(cc1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K18 compound treatment 0.255 0.0225 0.84 0.251 0.0214 0.98 1.2859 0.997 1912002 Bionet2_001294 O=C(Nc1ccsc1C(=O)N2CCOCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K19 compound treatment 0.255 0.0225 0.84 0.252 0.0224 1.03 1.3183 0.995 1912003 Bionet2_001295 FC(F)(F)c1cnc(CC(=O)NCc2ccco2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K20 compound treatment 0.247 0.0145 0.54 0.25 0.0204 0.93 1.0431 0.9663 1912004 Bionet2_001296 COc1ccccc1NC(=O)c2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K21 compound treatment 0.252 0.0195 0.73 0.251 0.0214 0.98 1.207 0.9892 1912005 Bionet2_001297 CSc1nc2nc(C)c(Cc3cccc(F)c3)c(C)n2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K22 compound treatment 0.248 0.0155 0.58 0.244 0.0144 0.66 0.8752 0.9979 1912006 Bionet2_001298 COc1ccc(cc1F)c2n[nH]cc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K23 mock treatment 0.252 0.0195 0.73 0.246 0.0164 0.75 1.0451 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 K24 mock treatment 0.223 -0.00945 -0.35 0.239 0.0094 0.43 0.0558 0.1003 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L01 compound treatment 0.233 5.48E-4 0.02 0.244 0.0144 0.66 0.4806 0.7286 1912007 Bionet2_001299 COC(=O)C(NC(=O)c1cn(C)nc1C(F)(F)F)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L02 compound treatment 0.302 0.0695 2.59 0.292 0.0624 2.86 3.8495 0.9988 1912008 Bionet2_001300 O=C1COc2ccc(cc2N1)N3Cc4ccccc4C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L03 compound treatment 0.253 0.0205 0.76 0.251 0.0214 0.98 1.2333 0.9925 1912009 Bionet2_001301 CCn1cc(C(=O)O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L04 compound treatment 0.254 0.0215 0.8 0.254 0.0244 1.12 1.3567 0.9867 1912010 Bionet2_001302 COc1ccc(cc1F)c2nc3c(C#N)cnn3cc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L05 compound treatment 0.256 0.0235 0.88 0.262 0.0324 1.48 1.6683 0.9684 1912011 Bionet2_001303 Cc1cc(C)c(C#N)c(OCc2cccc(c2)C(F)(F)F)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L06 compound treatment 0.253 0.0205 0.76 0.258 0.0284 1.3 1.4599 0.9679 1912012 Bionet2_001304 Brc1ccsc1c2ccn[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L07 compound treatment 0.248 0.0155 0.58 0.249 0.0194 0.89 1.037 0.9784 1912013 Bionet2_001305 FC(F)(F)c1cnc(CC(=O)Nc2ccc(cc2)N3CCOCC3)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L08 compound treatment 0.312 0.0795 2.96 0.315 0.0854 3.91 4.8571 0.9905 1912014 Bionet2_001306 COc1ccccc1c2cc(nc(C)c2C#N)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L09 compound treatment 0.263 0.0305 1.14 0.259 0.0294 1.35 1.7553 0.9964 1912015 Bionet2_001307 Cc1ccc(cc1)C(=O)CSc2nc(cc(=O)n2c3ccccc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L10 compound treatment 0.262 0.0295 1.1 0.261 0.0314 1.44 1.7938 0.9912 1912016 Bionet2_001308 Cc1ccc(CNC(=O)c2oc3ccccc3c2n4cccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L11 compound treatment 0.25 0.0175 0.65 0.25 0.0204 0.93 1.122 0.9846 1912017 Bionet2_001309 COC(=O)c1cc(Br)c(cc1OC)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L12 compound treatment 0.225 -0.00745 -0.28 0.229 -6.0E-4 -0.03 -0.2154 -0.7734 1912018 Bionet2_001310 C/C(=C\1/CCOC1=O)/Nc2ccc(OC(F)(F)F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L13 compound treatment 0.253 0.0205 0.76 0.255 0.0254 1.16 1.3628 0.9793 1176448 Bionet2_001311 CCOC(=O)c1c(Cl)c2ccccc2n(C)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L14 compound treatment 0.248 0.0155 0.58 0.251 0.0214 0.98 1.1018 0.9684 1912019 Bionet2_001312 COC(=O)CC(c1ccc(C#N)cc1)n2c(C)ccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L15 compound treatment 0.253 0.0205 0.76 0.25 0.0204 0.93 1.2009 0.995 1912020 Bionet2_001313 OCCC1Oc2cccnc2NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L16 compound treatment 0.249 0.0165 0.62 0.255 0.0254 1.16 1.2576 0.9557 1912021 Bionet2_001314 FC(F)(F)c1cnc(CC(=O)NCCN2CCCCC2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L17 compound treatment 0.261 0.0285 1.06 0.263 0.0334 1.53 1.8322 0.9841 1272110 Bionet2_001315 COC(=O)c1ccccc1OCC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L18 compound treatment 0.26 0.0275 1.02 0.255 0.0254 1.16 1.5469 0.998 1433820 Bionet2_001316 CC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L19 compound treatment 0.256 0.0235 0.88 0.255 0.0254 1.16 1.4417 0.9902 1912022 Bionet2_001317 CS(=O)(=O)c1cc2ccccc2nc1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L20 compound treatment 0.31 0.0775 2.88 0.299 0.0694 3.18 4.2865 0.9988 1912023 Bionet2_001318 Oc1cc(OCc2cccc(c2)C(F)(F)F)ccc1c3cc[nH]n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L21 compound treatment 0.249 0.0165 0.62 0.251 0.0214 0.98 1.1281 0.9749 1912024 Bionet2_001319 COc1ccc(cc1OC)c2cnn3ccc(nc23)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L22 compound treatment 0.254 0.0215 0.8 0.249 0.0194 0.89 1.1948 0.9987 1912025 Bionet2_001320 CCOC(=O)c1ccc(nc1C)c2ccc3CCCc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L23 mock treatment 0.251 0.0185 0.69 0.248 0.0184 0.84 1.0836 0.9951 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 L24 mock treatment 0.24 0.00755 0.28 0.226 -0.0036 -0.16 0.082 0.2518 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M01 compound treatment 0.219 -0.0135 -0.5 0.228 -0.0016 -0.07 -0.4056 -0.8021 1912026 Bionet2_001321 CCOC(=O)c1cnn(c1n2cccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M02 compound treatment 0.248 0.0155 0.58 0.245 0.0154 0.71 0.9075 0.9952 1912027 Bionet2_001322 O/N=C/c1cccn1c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M03 compound treatment 0.251 0.0185 0.69 0.247 0.0174 0.8 1.0512 0.9974 1624814 Bionet2_001323 CCCCN1C(C(CCC1=O)C(=O)O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M04 compound treatment 0.26 0.0275 1.02 0.252 0.0224 1.03 1.4498 1.0 1912028 Bionet2_001324 Fc1ccccc1c2cn3ccsc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M05 compound treatment 0.256 0.0235 0.88 0.255 0.0254 1.16 1.4417 0.9902 1185909 Bionet2_001325 CCOc1ccc(cc1)C(CC(=O)O)N2Cc3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M06 compound treatment 0.252 0.0195 0.73 0.251 0.0214 0.98 1.207 0.9892 1725427 Bionet2_001326 CCOC(=O)CC1COc2ccccc2N1C(=O)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M07 compound treatment 0.252 0.0195 0.73 0.249 0.0194 0.89 1.1422 0.9951 1419923 Bionet2_001327 COC(=O)c1cc(c[nH]1)C(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M08 compound treatment 0.255 0.0225 0.84 0.256 0.0264 1.21 1.4478 0.9841 1912029 Bionet2_001328 Cn1nc(c(CNc2ccc(Cl)cc2)c1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M09 compound treatment 0.253 0.0205 0.76 0.251 0.0214 0.98 1.2333 0.9925 1504497 Bionet2_001329 CCN1CCN(CC1)c2ccc(NC(=O)c3ccc(C)cc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M10 compound treatment 0.299 0.0665 2.48 0.291 0.0614 2.81 3.7382 0.998 1912030 Bionet2_001330 CCC(=O)c1c[nH]c(c1)C(=O)NCc2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M11 compound treatment 0.251 0.0185 0.69 0.248 0.0184 0.84 1.0836 0.9951 1912031 Bionet2_001331 Cc1nc2ncnn2c(C)c1Cc3c(Cl)cccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M12 compound treatment 0.251 0.0185 0.69 0.253 0.0234 1.07 1.2454 0.9773 1734142 Bionet2_001332 O=C(NCc1ccco1)c2cc(c[nH]2)C(=O)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M13 compound treatment 0.282 0.0495 1.84 0.281 0.0514 2.35 2.9673 0.9927 1742109 Bionet2_001333 Cc1nc2c(C#N)ncn2c(C)c1Cc3cccc(F)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M14 compound treatment 0.251 0.0185 0.69 0.25 0.0204 0.93 1.1483 0.9889 1912032 Bionet2_001334 N#Cc1cccn1c2nccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M15 compound treatment 0.249 0.0165 0.62 0.246 0.0164 0.75 0.9662 0.9951 1601132 Bionet2_001335 Cc1cc(C)c2c(nn(CC#N)c2n1)n3cccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M16 compound treatment 0.254 0.0215 0.8 0.254 0.0244 1.12 1.3567 0.9867 1912033 Bionet2_001336 CCC(=O)c1c[nH]c(c1)C(=O)NC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M17 compound treatment 0.25 0.0175 0.65 0.25 0.0204 0.93 1.122 0.9846 1912034 Bionet2_001337 CC(C)c1ccc(/C=C\C(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M18 compound treatment 0.256 0.0235 0.88 0.258 0.0284 1.3 1.5388 0.9815 1912035 Bionet2_001338 O=C(N1CCOCC1)c2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M19 compound treatment 0.253 0.0205 0.76 0.244 0.0144 0.66 1.0067 0.9973 1327157 Bionet2_001339 Nc1nccc(n1)c2ccccc2OCc3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M20 compound treatment 0.255 0.0225 0.84 0.249 0.0194 0.89 1.2211 0.9996 1912036 Bionet2_001340 O=C(N1CCCC1)c2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M21 compound treatment 0.249 0.0165 0.62 0.248 0.0184 0.84 1.031 0.9881 1613749 Bionet2_001341 Cc1ccc(cc1)c2nc3ccc(cc3c(=O)[nH]2)N4CCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M22 compound treatment 0.298 0.0655 2.44 0.298 0.0684 3.13 3.9385 0.9923 1912037 Bionet2_001342 O=C(/C=C/c1cccs1)/C=C/c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M23 mock treatment 0.249 0.0165 0.62 0.245 0.0154 0.71 0.9338 0.9977 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 M24 mock treatment 0.223 -0.00945 -0.35 0.229 -6.0E-4 -0.03 -0.268 -0.76 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N01 compound treatment 0.253 0.0205 0.76 0.256 0.0264 1.21 1.3952 0.9756 1912038 Bionet2_001343 CCNc1nc2ccccc2n1Cc3cccc(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N02 compound treatment 0.244 0.0115 0.43 0.241 0.0114 0.52 0.6728 0.9953 1912039 Bionet2_001344 Cc1nc(nc2CCCCc12)n3cc(nn3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N03 compound treatment 0.248 0.0155 0.58 0.248 0.0184 0.84 1.0047 0.9832 1912040 Bionet2_001345 CNC(=O)c1cn(C)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N04 compound treatment 0.245 0.0125 0.47 0.241 0.0114 0.52 0.6991 0.9984 1912041 Bionet2_001346 CCCc1c(C)nn(c1C)c2ncccc2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N05 compound treatment 0.261 0.0285 1.06 0.266 0.0364 1.67 1.9293 0.9763 1912042 Bionet2_001347 O=C1NC(=O)/C(=C\c2ccccc2)/S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N06 compound treatment 0.251 0.0185 0.69 0.253 0.0234 1.07 1.2454 0.9773 1912043 Bionet2_001348 COc1ccc(cc1)C(=O)COc2ccccc2C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N07 compound treatment 0.248 0.0155 0.58 0.247 0.0174 0.8 0.9723 0.9876 1912044 Bionet2_001349 O=C(Nc1cccc2[nH]ncc12)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N08 compound treatment 0.241 0.00855 0.32 0.244 0.0144 0.66 0.691 0.9441 1912045 Bionet2_001350 Cc1ccc(C)n1c2ccc(cc2)c3cc[nH]n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N09 compound treatment 0.245 0.0125 0.47 0.244 0.0144 0.66 0.7963 0.9857 1912046 Bionet2_001351 OC1CC(NC(=O)C(F)(F)F)c2cc3OCOc3cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N10 compound treatment 0.253 0.0205 0.76 0.253 0.0234 1.07 1.298 0.9863 1912047 Bionet2_001352 Cc1ccc(C)n1C(CC(=O)O)c2ccsc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N11 compound treatment 0.247 0.0145 0.54 0.239 0.0094 0.43 0.687 0.9936 1912048 Bionet2_001353 Cc1nc2ccc(cc2o1)n3cccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N12 compound treatment 0.236 0.00355 0.13 0.234 0.0044 0.2 0.2358 0.979 1912049 Bionet2_001354 C/C(=C\1/CCOC1=O)/Nc2ccccc2Oc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N13 compound treatment 0.262 0.0295 1.1 0.264 0.0344 1.58 1.8909 0.9845 1912050 Bionet2_001355 Cc1nc2ccccc2cc1OCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N14 compound treatment 0.259 0.0265 0.99 0.249 0.0194 0.89 1.3263 0.9986 1912051 Bionet2_001356 COc1cccc(Cn2c(=O)c3ccccc3n4nc(C)cc24)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N15 compound treatment 0.247 0.0145 0.54 0.248 0.0184 0.84 0.9784 0.9771 1912052 Bionet2_001357 Cc1nc2ccc(NC(=O)c3cccs3)cc2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N16 compound treatment 0.247 0.0145 0.54 0.247 0.0174 0.8 0.946 0.9822 1451730 Bionet2_001358 Cc1cc(C)n(n1)C(=O)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N17 compound treatment 0.251 0.0185 0.69 0.249 0.0194 0.89 1.1159 0.9922 1912053 Bionet2_001359 COc1ccccc1C2C3=C(CC(C)(C)CC3=O)Nc4n[nH]c(C)c24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N18 compound treatment 0.339 0.107 3.96 0.329 0.0994 4.55 6.0205 0.9976 1912054 Bionet2_001360 Nc1ccccc1/C=C/2\C(=O)Nc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N19 compound treatment 0.244 0.0115 0.43 0.247 0.0174 0.8 0.8671 0.958 1912055 Bionet2_001361 CC(C)c1ccc(cc1)C(N)CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N20 compound treatment 0.249 0.0165 0.62 0.248 0.0184 0.84 1.031 0.9881 1912056 Bionet2_001362 Cc1ccc2OC(CCCl)C(=O)Nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N21 compound treatment 0.249 0.0165 0.62 0.24 0.0104 0.48 0.772 0.992 1912057 Bionet2_001363 O/N=C/1\CC(NC(=O)C(F)(F)F)c2ccsc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N22 compound treatment 0.244 0.0115 0.43 0.242 0.0124 0.57 0.7052 0.9905 1912058 Bionet2_001364 FC(F)(F)c1ccc2N3CCCC3C(=O)Nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N23 mock treatment 0.246 0.0135 0.5 0.24 0.0104 0.48 0.693 0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 N24 mock treatment 0.208 -0.0245 -0.91 0.209 -0.0206 -0.94 -1.3101 -0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O01 compound treatment 0.235 0.00255 0.09 0.234 0.0044 0.2 0.2095 0.9409 1733103 Bionet2_001365 CCCCc1ccc(cc1)c2csc(N)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O02 compound treatment 0.24 0.00755 0.28 0.234 0.0044 0.2 0.341 0.9867 1680580 Bionet2_001366 NC(CC(=O)O)c1ccc(C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O03 compound treatment 0.239 0.00655 0.24 0.231 0.0014 0.06 0.2176 0.8638 1912059 Bionet2_001367 CCOC(=O)c1c(C)nn(c1C)c2ncccc2C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O04 compound treatment 0.245 0.0125 0.47 0.24 0.0104 0.48 0.6667 0.9999 1912060 Bionet2_001368 Cc1ccc(F)cc1NC(=O)Cc2ncc(cc2Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O05 compound treatment 0.244 0.0115 0.43 0.243 0.0134 0.61 0.7376 0.9848 1617757 Bionet2_001369 OC(=O)CC(N1Cc2ccccc2C1=O)c3ccccc3Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O06 compound treatment 0.246 0.0135 0.5 0.243 0.0134 0.61 0.7902 0.9952 1677078 Bionet2_001370 CC1(C)CN(C1=O)c2cccc(c2)c3ccnc4ncnn34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O07 compound treatment 0.242 0.00955 0.36 0.239 0.0094 0.43 0.5555 0.9954 1525435 Bionet2_001371 COc1ccc(CNC(=O)c2ccc[nH]2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O08 compound treatment 0.248 0.0155 0.58 0.248 0.0184 0.84 1.0047 0.9832 1912061 Bionet2_001372 Cc1cc(C)cc(/N=C/c2c(Cl)n(C)nc2C(F)(F)F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O09 compound treatment 0.247 0.0145 0.54 0.243 0.0134 0.61 0.8165 0.998 1912062 Bionet2_001373 CC(C(=O)NC(C)(C)C)n1c(nc2ccccc12)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O10 compound treatment 0.238 0.00555 0.21 0.241 0.0114 0.52 0.515 0.9176 1912063 Bionet2_001374 Fc1ccc(cc1)N2CCN(CC2)C(=O)Cc3ncc(cc3Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O11 compound treatment 0.249 0.0165 0.62 0.243 0.0134 0.61 0.8691 1.0 1397817 Bionet2_001375 Cn1cc(cc1C(=O)O)C(=O)c2cccc(Cl)c2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O12 compound treatment 0.247 0.0145 0.54 0.246 0.0164 0.75 0.9136 0.9871 1646239 Bionet2_001376 COc1ccc(cc1)c2cnc3cc(C)nn3c2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O13 compound treatment 0.241 0.00855 0.32 0.252 0.0224 1.03 0.9501 0.8848 1264319 Bionet2_001377 Nc1nccc(n1)c2cccc(OCc3c(F)cccc3Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O14 compound treatment 0.239 0.00655 0.24 0.248 0.0184 0.84 0.768 0.8757 1740721 Bionet2_001378 CCOC(=O)c1cnc2n(C)ncc2c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O15 compound treatment 0.246 0.0135 0.5 0.239 0.0094 0.43 0.6607 0.9969 1228537 Bionet2_001379 COC(=O)c1cc(c[nH]1)C(=O)C2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O16 compound treatment 0.246 0.0135 0.5 0.252 0.0224 1.03 1.0816 0.9465 1912064 Bionet2_001380 OC(=O)c1cccnc1Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O17 compound treatment 0.25 0.0175 0.65 0.241 0.0114 0.52 0.8306 0.9939 1912065 Bionet2_001381 O=c1oc(nc2ccsc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O18 compound treatment 0.246 0.0135 0.5 0.248 0.0184 0.84 0.9521 0.9698 1912066 Bionet2_001382 CC(=O)Oc1cc(nn1C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O19 compound treatment 0.243 0.0105 0.39 0.241 0.0114 0.52 0.6465 0.9901 1193610 Bionet2_001383 CN(C)CCC(O)c1cc(Cl)sc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O20 compound treatment 0.237 0.00455 0.17 0.238 0.0084 0.38 0.3916 0.932 1912067 Bionet2_001384 O=C(N1CCN(CC1)c2ccccc2)c3c[nH]c4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O21 compound treatment 0.239 0.00655 0.24 0.238 0.0084 0.38 0.4442 0.9757 1912068 Bionet2_001385 Clc1cc(CS(=O)c2ccccc2)nc(n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O22 compound treatment 0.248 0.0155 0.58 0.247 0.0174 0.8 0.9723 0.9876 1912069 Bionet2_001386 COc1ccc(cc1OC)c2cnn3c(Cl)c(CCCl)c(C)nc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O23 mock treatment 0.248 0.0155 0.58 0.242 0.0124 0.57 0.8104 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 O24 mock treatment 0.192 -0.0405 -1.5 0.209 -0.0206 -0.94 -1.7309 -0.9747 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P01 compound treatment 0.169 -0.0635 -2.36 0.176 -0.0536 -2.45 -3.4042 -0.9998 1912070 Bionet2_001387 Cc1nn(C)c(Cl)c1C(=O)NCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P02 compound treatment 0.209 -0.0235 -0.87 0.206 -0.0236 -1.08 -1.3809 -0.9944 1912071 Bionet2_001388 COCc1cc(=O)[nH]c2cc(NC(=O)C(F)(F)F)c(C)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P03 compound treatment 0.209 -0.0235 -0.87 0.215 -0.0146 -0.67 -1.0895 -0.9914 1912072 Bionet2_001389 OC(=O)c1cn(Cc2ccc(Cl)cc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P04 compound treatment 0.216 -0.0165 -0.61 0.203 -0.0266 -1.22 -1.2939 -0.9493 1912073 Bionet2_001390 Cc1ccc(cc1)C(O)CCc2ccc(N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P05 compound treatment 0.245 0.0125 0.47 0.232 0.0024 0.11 0.4077 0.8503 1912074 Bionet2_001391 CCNc1nc2ccccc2n1Cc3ccccc3F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P06 compound treatment 0.211 -0.0215 -0.8 0.224 -0.0056 -0.26 -0.7455 -0.8895 1912075 Bionet2_001392 Cc1ccc(C)n1C(CC(=O)O)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P07 compound treatment 0.199 -0.0335 -1.24 0.2 -0.0296 -1.36 -1.8381 -0.9991 1912076 Bionet2_001393 CC(C)(C)C(=O)Nc1cccc2[nH]ncc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P08 compound treatment 0.208 -0.0245 -0.91 0.204 -0.0256 -1.17 -1.4719 -0.9921 1496306 Bionet2_001394 COC(=O)c1oc2ccccc2c1n3cccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P09 compound treatment 0.209 -0.0235 -0.87 0.211 -0.0186 -0.85 -1.219 -0.9999 1113467 Bionet2_001395 FC(F)(F)C(=O)Nc1cccc(c1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P10 compound treatment 0.204 -0.0285 -1.06 0.207 -0.0226 -1.03 -1.48 -0.9999 1912077 Bionet2_001396 Cc1cc2ncc(cn2n1)C(=O)c3ccccc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P11 compound treatment 0.212 -0.0205 -0.76 0.217 -0.0126 -0.58 -0.9458 -0.9907 1912078 Bionet2_001397 CCOC(=O)/C=C(\C)/Nc1ccc2cn[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P12 compound treatment 0.203 -0.0295 -1.1 0.21 -0.0196 -0.9 -1.4092 -0.9951 1912079 Bionet2_001398 CSc1nc2ccccc2c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P13 compound treatment 0.213 -0.0195 -0.72 0.218 -0.0116 -0.53 -0.8872 -0.9884 1912080 Bionet2_001399 CC1=NC(=C(NC(C1)c2ccc(Cl)cc2)C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P14 compound treatment 0.204 -0.0285 -1.06 0.204 -0.0256 -1.17 -1.5771 -0.9987 1912081 Bionet2_001400 Cn1nc(c(C#N)c1Oc2ccccc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P15 compound treatment 0.254 0.0215 0.8 0.247 0.0174 0.8 1.1301 1.0 1156874 Bionet2_001401 COc1ccc(cc1OC)c2ccc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P16 compound treatment 0.213 -0.0195 -0.72 0.211 -0.0186 -0.85 -1.1138 -0.9967 1912082 Bionet2_001402 Cc1nc(C)c(I)c(Oc2ccc(C#N)cc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P17 compound treatment 0.205 -0.0275 -1.02 0.208 -0.0216 -0.99 -1.4213 -0.9999 1912083 Bionet2_001403 COc1nc(C)c(Br)c(C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P18 compound treatment 0.208 -0.0245 -0.91 0.199 -0.0306 -1.4 -1.6338 -0.9781 1912084 Bionet2_001404 c1cnn(c1)c2cncc(n2)n3cccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P19 compound treatment 0.195 -0.0375 -1.39 0.195 -0.0346 -1.58 -2.1052 -0.9979 1632632 Bionet2_001405 COc1cccc(c1)C(N)CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P20 compound treatment 0.198 -0.0345 -1.28 0.206 -0.0236 -1.08 -1.6702 -0.9964 1912085 Bionet2_001406 NC(CCO)c1cccc(c1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P21 compound treatment 0.228 -0.00445 -0.17 0.217 -0.0126 -0.58 -0.525 -0.8747 1679649 Bionet2_001407 CCOc1ncccc1C(=O)Nc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P22 compound treatment 0.225 -0.00745 -0.28 0.221 -0.0086 -0.39 -0.4744 -0.9852 1912086 Bionet2_001408 FC(F)(F)c1ccccc1/C=C/2\SC(=S)NC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P23 mock treatment 0.201 -0.0315 -1.17 0.197 -0.0326 -1.49 -1.8827 -0.9927 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.1367 P24 mock treatment 0.191 -0.0415 -1.54 0.193 -0.0366 -1.68 -2.2752 -0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A01 compound treatment 0.222 -0.0288 -1.07 0.221 -0.028 -1.28 -1.6625 -0.996 1609023 TimTec1_001409 COc1ccc(CC(=O)n2[nH]c(=O)ccc2=O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A02 compound treatment 0.292 0.0412 1.53 0.302 0.053 2.43 2.801 0.9754 3210400 TimTec1_001410 CCN1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A03 compound treatment 0.252 0.00122 0.05 0.231 -0.018 -0.82 -0.5497 -0.6671 3210401 TimTec1_001411 OCC1OC(C(O)C1O)N2C3CCNC(=O)C3N=C2N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A04 compound treatment 0.247 -0.00378 -0.14 0.25 0.00103 0.05 -0.0661 -0.4453 1501937 TimTec1_001412 O=C(Nc1cccc(c1)N2CCCC2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A05 compound treatment 0.227 -0.0238 -0.88 0.237 -0.012 -0.55 -1.013 -0.9735 1302244 TimTec1_001413 CS(=O)(=O)N(Cc1ccccc1)c2ccccc2C(=O)NC3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A06 compound treatment 0.279 0.0282 1.05 0.272 0.023 1.05 1.4878 1.0 3082998 TimTec1_001414 Nc1nc(SCc2ccccc2)n(n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A07 compound treatment 0.246 -0.00478 -0.18 0.245 -0.00397 -0.18 -0.2542 -0.9999 1224047 TimTec1_001415 COc1ccccc1c2nn(CNc3ccccc3)c(=S)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A08 compound treatment 0.246 -0.00478 -0.18 0.247 -0.00197 -0.09 -0.1895 -0.9504 3083000 TimTec1_001416 CCOC(=O)c1sc(SC)nc1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A09 compound treatment 0.247 -0.00378 -0.14 0.245 -0.00397 -0.18 -0.2279 -0.992 1232083 TimTec1_001417 Brc1ccc2C(=O)N(C(c3ccccc3)c4ccccc4)C(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A10 compound treatment 0.246 -0.00478 -0.18 0.243 -0.00597 -0.27 -0.319 -0.9783 1258394 TimTec1_001418 CCN(CC)C(=O)c1c[nH]c2ccccc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A11 compound treatment 0.25 -7.81E-4 -0.03 0.248 -9.69E-4 -0.04 -0.0519 -0.979 1352649 TimTec1_001419 C(N1CCCN(Cc2ccccc2)C1c3ccncc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A12 compound treatment 0.265 0.0142 0.53 0.265 0.016 0.73 0.893 0.9871 1285436 TimTec1_001420 Brc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A13 compound treatment 0.25 -7.81E-4 -0.03 0.252 0.00303 0.14 0.0776 0.5472 3210402 TimTec1_001421 COc1cc(cc(OC)c1OC)C/2=NOC(=O)\C2=C/c3ccc(Cl)cc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A14 compound treatment 0.241 -0.00978 -0.36 0.245 -0.00397 -0.18 -0.3857 -0.9486 3083004 TimTec1_001422 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cccnc4)C(=O)CC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A15 compound treatment 0.245 -0.00578 -0.22 0.244 -0.00497 -0.23 -0.3129 -0.9996 3210403 TimTec1_001423 CSc1sc(C)cc1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A16 compound treatment 0.244 -0.00678 -0.25 0.244 -0.00497 -0.23 -0.3392 -0.9987 1473282 TimTec1_001424 N=c1[nH]c(cs1)c2ccc3OCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A17 compound treatment 0.24 -0.0108 -0.4 0.241 -0.00797 -0.36 -0.5416 -0.9989 1291516 TimTec1_001425 Nc1nonc1NC(=O)CSc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A18 compound treatment 0.237 -0.0138 -0.51 0.242 -0.00697 -0.32 -0.5881 -0.974 1069221 TimTec1_001426 CSc1nnnn1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A19 compound treatment 0.255 0.00422 0.16 0.252 0.00303 0.14 0.2091 0.9981 1502089 TimTec1_001427 COc1ccc(cc1)C2C3CCC=C3C(=C(N)C2(C#N)C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A20 compound treatment 0.236 -0.0148 -0.55 0.233 -0.016 -0.73 -0.9058 -0.9901 1057528 TimTec1_001428 CC(=O)Oc1cccc2ccc(O)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A21 compound treatment 0.244 -0.00678 -0.25 0.22 -0.029 -1.33 -1.1163 -0.8268 3210521 TimTec1_001429 Cc1c(C)c(/C=N/O)c(C)c(C)c1/C=N/O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A22 compound treatment 0.244 -0.00678 -0.25 0.244 -0.00497 -0.23 -0.3392 -0.9987 1551108 TimTec1_001430 CCOC(=O)C1CCN(CC1)C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A23 mock treatment 0.252 0.00122 0.05 0.248 -9.69E-4 -0.04 7.0E-4 0.0109 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 A24 mock treatment 0.231 -0.0198 -0.74 0.222 -0.027 -1.23 -1.3934 -0.9694 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B01 compound treatment 0.249 -0.00178 -0.07 0.25 0.00103 0.05 -0.0135 -0.1654 1318272 TimTec1_001431 COc1ccc2nc(sc2c1)C(=O)N3CCN(C)CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B02 compound treatment 0.27 0.0192 0.71 0.274 0.025 1.15 1.3159 0.9742 1256461 TimTec1_001432 OC(=O)c1ccc(Nc2nnc(c3ccccc3)c(n2)c4ccccc4)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B03 compound treatment 0.261 0.0102 0.38 0.263 0.014 0.64 0.723 0.9686 3083011 TimTec1_001433 FC(F)(F)c1cccc(c1)c2ccc(/C=C(\C#N)/c3ccccc3)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B04 compound treatment 0.257 0.00622 0.23 0.257 0.00803 0.37 0.4236 0.975 3210522 TimTec1_001434 C(C1COC(=N1)C2=N[C@@H](Cc3ccccc3)CO2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B05 compound treatment 0.266 0.0152 0.57 0.266 0.017 0.78 0.9517 0.9876 3083012 TimTec1_001435 Cc1nnc(/N=C/2\S/C(=C/c3ccc(cc3)C(=O)O)/C(=O)N2CC=C)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B06 compound treatment 0.257 0.00622 0.23 0.259 0.01 0.46 0.4883 0.9496 3210523 TimTec1_001436 C/C(=N\O)/c1ccc2OCCOCCOCCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B07 compound treatment 0.269 0.0182 0.68 0.269 0.02 0.92 1.1277 0.9889 1208416 TimTec1_001437 O=C1N(CSc2nc3ccccc3s2)c4cccc5cccc1c45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B08 compound treatment 0.275 0.0242 0.9 0.273 0.024 1.1 1.415 0.9951 3210524 TimTec1_001438 C[C@@H]1[C@@H]2CCC3[C@@](C)(CC(=O)O)CCC[C@]3(C)C2Cc4occc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B09 compound treatment 0.258 0.00722 0.27 0.258 0.00903 0.41 0.4823 0.9781 1668666 TimTec1_001439 C(SCc1ccccc1)c2cn3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B10 compound treatment 0.319 0.0682 2.54 0.302 0.053 2.43 3.5112 0.9998 3210525 TimTec1_001440 ONC(=O)c1cccc2/C(=N\O)/c3ccccc3-c21 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B11 compound treatment 0.25 -7.81E-4 -0.03 0.251 0.00203 0.09 0.0452 0.4641 3083091 TimTec1_001441 CCCOc1ccc(/C=C/C(=O)Nc2nnc[nH]2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B12 compound treatment 0.338 0.0872 3.24 0.325 0.076 3.48 4.7555 0.9994 1621908 TimTec1_001442 NS(=O)(=O)c1nn2cc(nc2s1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B13 compound treatment 0.261 0.0102 0.38 0.261 0.012 0.55 0.6583 0.9836 1239473 TimTec1_001443 Clc1c(NCc2ccccc2)cn[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B14 compound treatment 0.267 0.0162 0.6 0.267 0.018 0.83 1.0104 0.9881 3210526 TimTec1_001444 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)/C=C/c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B15 compound treatment 0.259 0.00822 0.31 0.259 0.01 0.46 0.5409 0.9804 3210527 TimTec1_001445 Brc1cc(c2coc3ccccc3c2=O)c4OCOCc4c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B16 compound treatment 0.271 0.0202 0.75 0.272 0.023 1.05 1.2774 0.9863 3083094 TimTec1_001446 COc1cc(SC#N)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B17 compound treatment 0.264 0.0132 0.49 0.267 0.018 0.83 0.9315 0.9693 1121522 TimTec1_001447 COc1ccc(CCCc2nc3ccccc3[nH]2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B18 compound treatment 0.259 0.00822 0.31 0.258 0.00903 0.41 0.5086 0.9889 3210528 TimTec1_001448 CNC(=S)Nc1ccc(OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B19 compound treatment 0.258 0.00722 0.27 0.258 0.00903 0.41 0.4823 0.9781 1022826 TimTec1_001449 O=C(Nc1ccccc1)Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B20 compound treatment 0.255 0.00422 0.16 0.256 0.00703 0.32 0.3386 0.9454 3083097 TimTec1_001450 CC1CCCCN1C(=O)c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B21 compound treatment 0.249 -0.00178 -0.07 0.249 3.13E-5 0.0 -0.0458 -0.6917 3210529 TimTec1_001451 O=C(NCc1ccco1)c2ccccc2N(Cc3ccccc3)S(=O)(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B22 compound treatment 0.254 0.00322 0.12 0.252 0.00303 0.14 0.1828 0.9973 1271782 TimTec1_001452 CC(=O)Oc1ccc2c(NC3(OC(=O)C)C(=O)c4ccccc4C23OC(=O)C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B23 mock treatment 0.255 0.00422 0.16 0.254 0.00503 0.23 0.2739 0.9825 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 B24 mock treatment 0.251 2.19E-4 0.01 0.241 -0.00797 -0.36 -0.2522 -0.6912 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C01 compound treatment 0.228 -0.0228 -0.85 0.218 -0.031 -1.42 -1.6018 -0.9697 1645231 TimTec1_001453 CCn1cnc2c(=O)[nH][nH]c(=O)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C02 compound treatment 0.245 -0.00578 -0.22 0.247 -0.00197 -0.09 -0.2158 -0.9255 2086755 TimTec1_001454 CCOC(=O)N1C/C(=C\c2ccccc2)/C(=O)\C(=C\c3ccccc3)\C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C03 compound treatment 0.248 -0.00278 -0.1 0.251 0.00203 0.09 -0.0074 -0.0531 1308938 TimTec1_001455 CCc1cc2c(=O)c(coc2cc1OC(C)C(=O)O)c3csc(C)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C04 compound treatment 0.249 -0.00178 -0.07 0.251 0.00203 0.09 0.0189 0.1657 1446072 TimTec1_001456 CC1CCCN(C1)C(=O)c2cc3ccccc3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C05 compound treatment 0.292 0.0412 1.53 0.285 0.036 1.65 2.2506 0.9993 1636408 TimTec1_001457 Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc4ccccc4)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C06 compound treatment 0.241 -0.00978 -0.36 0.242 -0.00697 -0.32 -0.4829 -0.9979 3083101 TimTec1_001458 Nc1n/c(=N\c2ccccc2)/ss1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C07 compound treatment 0.245 -0.00578 -0.22 0.245 -0.00397 -0.18 -0.2805 -0.9965 1676195 TimTec1_001459 CCSc1nc2ccccc2n1CC(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C08 compound treatment 0.311 0.0602 2.24 0.312 0.063 2.89 3.6245 0.9921 3083103 TimTec1_001460 CSc1nc(N)c(s1)C(=O)Nc2ccc(cc2)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C09 compound treatment 0.247 -0.00378 -0.14 0.245 -0.00397 -0.18 -0.2279 -0.992 3210530 TimTec1_001461 Cc1nc2ccc(/N=C/c3ccccc3O)cc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C10 compound treatment 0.296 0.0452 1.68 0.289 0.04 1.83 2.4854 0.9991 1342383 TimTec1_001462 O=C(N(Cc1ccccc1)Cc2ccccc2)c3c[nH]c4ccccc4c3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C11 compound treatment 0.24 -0.0108 -0.4 0.244 -0.00497 -0.23 -0.4444 -0.9639 1668351 TimTec1_001463 OC(=O)C1CCCN1C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C12 compound treatment 0.253 0.00222 0.08 0.253 0.00403 0.18 0.1889 0.9341 1266673 TimTec1_001464 O=C(Nc1ncccn1)c2c[nH]c3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C13 compound treatment 0.254 0.00322 0.12 0.252 0.00303 0.14 0.1828 0.9973 3083106 TimTec1_001465 Fc1ccccc1C/2=NOC(=O)\C2=C/Nc3ccc(Cl)cn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C14 compound treatment 0.272 0.0212 0.79 0.268 0.019 0.87 1.1742 0.9988 1516165 TimTec1_001466 CCOC(=O)C1=C(C)OC(=C(C1c2cccnc2)C(=O)OCC)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C15 compound treatment 0.242 -0.00878 -0.33 0.244 -0.00497 -0.23 -0.3918 -0.9844 3083108 TimTec1_001467 CSc1sc(C)cc1/C=N/O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C16 compound treatment 0.285 0.0342 1.27 0.284 0.035 1.6 2.0342 0.9934 3210531 TimTec1_001468 Clc1ccc(NC(=O)/N=c/2\[nH]c(cs2)c3ccccc3)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C17 compound treatment 0.256 0.00522 0.19 0.256 0.00703 0.32 0.3649 0.9707 3083183 TimTec1_001469 Nc1nonc1NC(=O)CSC(=N)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C18 compound treatment 0.263 0.0122 0.45 0.26 0.011 0.51 0.6785 0.9986 1579055 TimTec1_001470 COc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C19 compound treatment 0.331 0.0802 2.98 0.317 0.068 3.11 4.3124 0.9998 1328959 TimTec1_001471 CCOc1ccc(OCC)c(c1)C2C(Cc3ccccc3)N4C(C=Cc5ccccc45)C2(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C20 compound treatment 0.248 -0.00278 -0.1 0.247 -0.00197 -0.09 -0.1369 -0.9976 3083185 TimTec1_001472 COC(=O)Nc1nccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C21 compound treatment 0.253 0.00222 0.08 0.257 0.00803 0.37 0.3184 0.8448 1288354 TimTec1_001473 Cc1ccc(c(C)c1)c2c(C#N)c(N)n(C)c(=O)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C22 compound treatment 0.257 0.00622 0.23 0.258 0.00903 0.41 0.456 0.9623 1283442 TimTec1_001474 O=C(Nc1ccc2OCOc2c1)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C23 mock treatment 0.24 -0.0108 -0.4 0.241 -0.00797 -0.36 -0.5416 -0.9989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 C24 mock treatment 0.234 -0.0168 -0.62 0.234 -0.015 -0.69 -0.926 -0.9989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D01 compound treatment 0.254 0.00322 0.12 0.251 0.00203 0.09 0.1504 0.9922 3083186 TimTec1_001475 O=C1CC(Sc2ccc3ccccc3c2)C4COC1O4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D02 compound treatment 0.247 -0.00378 -0.14 0.253 0.00403 0.18 0.0311 0.1339 1501922 TimTec1_001476 OC(=O)c1nn(Cc2ccccc2)nc1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D03 compound treatment 0.324 0.0732 2.72 0.313 0.064 2.93 3.9988 0.9993 3210532 TimTec1_001477 S/C(=C(/C(=O)c1ccccc1)\[n+]2ccccc2)/NC(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D04 compound treatment 0.252 0.00122 0.05 0.252 0.00303 0.14 0.1302 0.8917 3083190 TimTec1_001478 O=C(N[C@@H]1COC(=O)C1)OCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D05 compound treatment 0.437 0.186 6.93 0.433 0.184 8.43 10.856 0.9953 3210533 TimTec1_001479 O=C(C(=C1Nc2ccccc2N1)C#N)c3cc[n+](Cc4ccccc4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D06 compound treatment 0.254 0.00322 0.12 0.254 0.00503 0.23 0.2475 0.9535 3083192 TimTec1_001480 OC(=O)c1ccc(/C=C/C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D07 compound treatment 0.253 0.00222 0.08 0.255 0.00603 0.28 0.2536 0.88 1703831 TimTec1_001481 Brc1ccc(NC(=O)C2(CCN3CC2)c4ccccc4C3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D08 compound treatment 0.255 0.00422 0.16 0.256 0.00703 0.32 0.3386 0.9454 1474907 TimTec1_001482 OC1CC(c2ccccc2Cl)C3(C(C1)c4ccccc4Cl)C(=O)NC(=O)NC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D09 compound treatment 0.259 0.00822 0.31 0.258 0.00903 0.41 0.5086 0.9889 3210647 TimTec1_001483 Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(Sc4ccccc4)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D10 compound treatment 0.251 2.19E-4 0.01 0.25 0.00103 0.05 0.0391 0.8169 3083196 TimTec1_001484 Cc1ccc(cc1)S(=O)(=O)c2ccc(/C=C/c3ccco3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D11 compound treatment 0.25 -7.81E-4 -0.03 0.25 0.00103 0.05 0.0128 0.2316 1185515 TimTec1_001485 O=C(NCCc1nc2ccccc2[nH]1)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D12 compound treatment 0.255 0.00422 0.16 0.256 0.00703 0.32 0.3386 0.9454 3083198 TimTec1_001486 COc1ccc(/C=C/2\N=C(N(C2=O)c3nc4ccc(cc4s3)C(=O)O)c5ccccc5)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D13 compound treatment 0.29 0.0392 1.46 0.284 0.035 1.6 2.1657 0.9989 1329192 TimTec1_001487 Cc1cc(=O)n2c3C(=O)N(Cc4ccccc4)C(=O)c3sc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D14 compound treatment 0.28 0.0292 1.09 0.281 0.032 1.47 1.8055 0.9891 3210648 TimTec1_001488 CC(=O)Nc1ccc(cc1C(=O)O)S(=O)(=O)NN2C(=O)/C(=C/c3ccco3)/N=C2c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D15 compound treatment 0.257 0.00622 0.23 0.257 0.00803 0.37 0.4236 0.975 3083200 TimTec1_001489 Cc1nnc(C)n1/N=C/c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D16 compound treatment 0.268 0.0172 0.64 0.263 0.014 0.64 0.9071 1.0 1026134 TimTec1_001490 O=C(c1cc2ccccc2o1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D17 compound treatment 0.266 0.0152 0.57 0.265 0.016 0.73 0.9193 0.9918 1337169 TimTec1_001491 CCCC(=O)c1ccc(cc1)C(C)CCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D18 compound treatment 0.254 0.00322 0.12 0.254 0.00503 0.23 0.2475 0.9535 1082112 TimTec1_001492 COc1cccc(NC(=S)Nc2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D19 compound treatment 0.257 0.00622 0.23 0.255 0.00603 0.28 0.3588 0.9961 1198422 TimTec1_001493 NC(=O)CCNC(=O)C(c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D20 compound treatment 0.253 0.00222 0.08 0.253 0.00403 0.18 0.1889 0.9341 1112637 TimTec1_001494 CCC(C)NC(=O)c1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D21 compound treatment 0.258 0.00722 0.27 0.255 0.00603 0.28 0.3851 0.9999 3210649 TimTec1_001495 Fc1ccc(cc1)c2cs/c(=N\c3ccccc3)/n2Cc4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D22 compound treatment 0.259 0.00822 0.31 0.258 0.00903 0.41 0.5086 0.9889 1228411 TimTec1_001496 OC1(C2C(=O)NC(=O)NC2=O)C(=O)c3ccccc3C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D23 mock treatment 0.252 0.00122 0.05 0.254 0.00503 0.23 0.1949 0.8303 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 D24 mock treatment 0.248 -0.00278 -0.1 0.247 -0.00197 -0.09 -0.1369 -0.9976 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E01 compound treatment 0.248 -0.00278 -0.1 0.247 -0.00197 -0.09 -0.1369 -0.9976 1636299 TimTec1_001497 COc1ccc2C=CC3C=CC(O)C4Oc1c2C43CCN(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E02 compound treatment 0.34 0.0892 3.32 0.307 0.058 2.66 4.2254 0.9939 3083205 TimTec1_001498 CC(C)(C)C1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E03 compound treatment 0.255 0.00422 0.16 0.258 0.00903 0.41 0.4034 0.912 3210650 TimTec1_001499 Cn1c(=O)c(C2=NNC3=NNC(C23)c4ccccc4)c(O)c5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E04 compound treatment 0.259 0.00822 0.31 0.259 0.01 0.46 0.5409 0.9804 3083208 TimTec1_001500 O=C(N1CCCCC1)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E05 compound treatment 0.274 0.0232 0.86 0.27 0.021 0.96 1.2916 0.9985 1501857 TimTec1_001501 COc1ccc(NC(=O)CC2CS(=O)(=O)CC2CC(=O)Nc3ccc(OC)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E06 compound treatment 0.253 0.00222 0.08 0.255 0.00603 0.28 0.2536 0.88 1493097 TimTec1_001502 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cnnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E07 compound treatment 0.264 0.0132 0.49 0.266 0.017 0.78 0.8991 0.9753 3210651 TimTec1_001503 Oc1ccc(/C=N/c2ccc(cc2)N3CCOCC3)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E08 compound treatment 0.27 0.0192 0.71 0.27 0.021 0.96 1.1864 0.9892 1097150 TimTec1_001504 COc1ccc(NC(=O)c2sc(SC)nc2N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E09 compound treatment 0.313 0.0622 2.31 0.317 0.068 3.11 3.839 0.9893 3210652 TimTec1_001505 O=C/1Nc2ccccc2\C1=N/N3C(=O)C4C=CC=CC4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E10 compound treatment 0.262 0.0112 0.42 0.261 0.012 0.55 0.6846 0.9906 1413901 TimTec1_001506 O=C(N(c1ccccc1)c2ccccc2)c3c[nH]c4ccccc4c3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E11 compound treatment 0.253 0.00222 0.08 0.253 0.00403 0.18 0.1889 0.9341 3210653 TimTec1_001507 CC(C)(C)C(=O)CSc1ncnc2[nH]cnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E12 compound treatment 0.26 0.00922 0.34 0.26 0.011 0.51 0.5996 0.9822 1279481 TimTec1_001508 CCOC(=O)CC(N)c1ccccc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E13 compound treatment 0.267 0.0162 0.6 0.268 0.019 0.87 1.0427 0.9839 3210654 TimTec1_001509 CCc1sc2sncc2c1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E14 compound treatment 0.471 0.22 8.19 0.466 0.217 9.94 12.8186 0.9954 1490642 TimTec1_001510 Cc1ccc(s1)C(C2C(=O)CC(C)(C)CC2=O)C3C(=O)CC(C)(C)CC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E15 compound treatment 0.261 0.0102 0.38 0.258 0.00903 0.41 0.5612 0.9991 3082121 TimTec1_001511 CCSc1cc(CC)sc1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E16 compound treatment 0.259 0.00822 0.31 0.26 0.011 0.51 0.5733 0.9711 3082123 TimTec1_001512 CN(C(=O)CSC(=S)N1CCCC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E17 compound treatment 0.263 0.0122 0.45 0.263 0.014 0.64 0.7756 0.9856 3210655 TimTec1_001513 CCOC(=O)/C=C(/C)\Nc1nonc1NC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E18 compound treatment 0.267 0.0162 0.6 0.267 0.018 0.83 1.0104 0.9881 3082125 TimTec1_001514 Nc1nnc(o1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E19 compound treatment 0.285 0.0342 1.27 0.283 0.034 1.56 2.0018 0.995 1386928 TimTec1_001515 Cc1ccc(C2C(Cc3ccccc3)N4C=Cc5ccccc5C4C2(C#N)C(=O)N)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E20 compound treatment 0.261 0.0102 0.38 0.261 0.012 0.55 0.6583 0.9836 3082127 TimTec1_001516 CCOC(=O)Cc1ccccc1C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E21 compound treatment 0.45 0.199 7.41 0.418 0.169 7.74 10.7122 0.9998 3210656 TimTec1_001517 O=C/1/C(=C/C2CCCO2)/CC\C1=C/C3CCCO3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E22 compound treatment 0.269 0.0182 0.68 0.265 0.016 0.73 0.9982 0.9992 1433367 TimTec1_001518 CC(C)C(=O)Nc1ccc(cc1)c2nc3cc(C)ccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E23 mock treatment 0.254 0.00322 0.12 0.254 0.00503 0.23 0.2475 0.9535 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 E24 mock treatment 0.249 -0.00178 -0.07 0.244 -0.00497 -0.23 -0.2077 -0.8766 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F01 compound treatment 0.256 0.00522 0.19 0.256 0.00703 0.32 0.3649 0.9707 1232600 TimTec1_001519 COCC(=O)OCC1CCCN2CCCCC12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F02 compound treatment 0.258 0.00722 0.27 0.259 0.01 0.46 0.5146 0.9673 3082129 TimTec1_001520 CC(=O)OCc1cnn(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F03 compound treatment 0.264 0.0132 0.49 0.263 0.014 0.64 0.8019 0.9913 3210657 TimTec1_001521 O=C(CCCN1C(=O)S/C(=C/c2ccccc2)/C1=S)NC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F04 compound treatment 0.258 0.00722 0.27 0.258 0.00903 0.41 0.4823 0.9781 1023719 TimTec1_001522 Clc1ncnc2n(cnc12)C3CCCCO3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F05 compound treatment 0.272 0.0212 0.79 0.272 0.023 1.05 1.3037 0.9898 3210658 TimTec1_001523 CCc1nnc(/N=C/2\S/C(=C/c3ccc(cc3)C(=O)O)/C(=O)N2CC=C)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F06 compound treatment 0.264 0.0132 0.49 0.265 0.016 0.73 0.8667 0.981 3082133 TimTec1_001524 Brc1ccc(/C=C/C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F07 compound treatment 0.272 0.0212 0.79 0.274 0.025 1.15 1.3685 0.9834 3082134 TimTec1_001525 Nc1nnc(CCN2C(=O)S/C(=C/c3ccccc3)/C2=O)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F08 compound treatment 0.271 0.0202 0.75 0.272 0.023 1.05 1.2774 0.9863 1022021 TimTec1_001526 CC1(C)OC2C(CO)OC(C2O1)n3cnc4c(O)ncnc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F09 compound treatment 0.258 0.00722 0.27 0.258 0.00903 0.41 0.4823 0.9781 3210659 TimTec1_001527 OC(=O)COc1ccccc1/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F10 compound treatment 0.269 0.0182 0.68 0.27 0.021 0.96 1.1601 0.9852 3210660 TimTec1_001528 CN(C)c1ccc(cc1)C2=NN(C(C2)NC(Cc3c[nH]c4ccccc34)C(=O)O)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F11 compound treatment 0.263 0.0122 0.45 0.264 0.015 0.69 0.808 0.9797 1300950 TimTec1_001529 O=C(CN1C(=O)c2ccccc2C1=O)Nc3nnc[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F12 compound treatment 0.259 0.00822 0.31 0.262 0.013 0.6 0.6381 0.9517 1127108 TimTec1_001530 CCC(Sc1nc2cccc(CC)c2c(=O)n1c3ccc(OC)cc3)C(=O)NN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F13 compound treatment 0.269 0.0182 0.68 0.271 0.022 1.01 1.1925 0.9813 3082764 TimTec1_001531 Clc1nc(C#N)c(C#N)nc1C(=C2Nc3ccccc3N2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F14 compound treatment 0.272 0.0212 0.79 0.273 0.024 1.1 1.3361 0.9867 3210661 TimTec1_001532 CC(C)C(C(=O)NN1C(=O)/C(=C/c2ccccn2)/N=C1c3ccccc3)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F15 compound treatment 0.283 0.0322 1.2 0.293 0.044 2.02 2.273 0.9691 3082765 TimTec1_001533 C/C=C(/C)\C(=O)OC1CC(O)(C(C)C)C2C(CC(=CCC12C)C)OC(=O)c3ccc(O)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F16 compound treatment 0.265 0.0142 0.53 0.265 0.016 0.73 0.893 0.9871 1203282 TimTec1_001534 CC(O)CNC(=O)C1(CC2CC3CC(C2)C1)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F17 compound treatment 0.272 0.0212 0.79 0.273 0.024 1.1 1.3361 0.9867 1114140 TimTec1_001535 COc1ccc(CCCC(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F18 compound treatment 0.273 0.0222 0.83 0.265 0.016 0.73 1.1034 0.9983 1082103 TimTec1_001536 Fc1ccc(NC(=S)Nc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F19 compound treatment 0.268 0.0172 0.64 0.264 0.015 0.69 0.9395 0.9994 1119735 TimTec1_001537 COc1ccc2[nH]cc(CCNC(=O)c3ccco3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F20 compound treatment 0.264 0.0132 0.49 0.263 0.014 0.64 0.8019 0.9913 3210662 TimTec1_001538 CCOC(=O)C1=C(Nc2ccccc2)OCC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F21 compound treatment 0.256 0.00522 0.19 0.256 0.00703 0.32 0.3649 0.9707 3082768 TimTec1_001539 CC(C)NCC(O)COc1ccc(/C=C/c2cc(C)no2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F22 compound treatment 0.306 0.0552 2.05 0.302 0.053 2.43 3.1693 0.9965 3210663 TimTec1_001540 O=C1C(/C(=N/c2ccccc2)/c3ccccc13)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F23 mock treatment 0.26 0.00922 0.34 0.259 0.01 0.46 0.5672 0.9896 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 F24 mock treatment 0.258 0.00722 0.27 0.251 0.00203 0.09 0.2556 0.8996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G01 compound treatment 0.247 -0.00378 -0.14 0.243 -0.00597 -0.27 -0.2927 -0.9523 3210787 TimTec1_001541 CC1=C(NC(=S)NC(=O)c2ccccc2)NCc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G02 compound treatment 0.279 0.0282 1.05 0.274 0.025 1.15 1.5526 0.999 3082771 TimTec1_001542 N#C/C(=C\c1ccccc1/C=C(\C#N)/c2ccc3OCOc3c2)/c4ccc5OCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G03 compound treatment 0.25 -7.81E-4 -0.03 0.251 0.00203 0.09 0.0452 0.4641 3210788 TimTec1_001543 OC(=O)CC1N=Cc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G04 compound treatment 0.264 0.0132 0.49 0.262 0.013 0.6 0.7696 0.9954 3210789 TimTec1_001544 C1Oc2ccc(/C=C/C=N/c3ccc(cc3)N4CCOCC4)cc2O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G05 compound treatment 0.251 2.19E-4 0.01 0.252 0.00303 0.14 0.1039 0.7473 1707466 TimTec1_001545 CN1CCN(CC(O)COc2ccccc2OCc3nc(C)no3)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G06 compound treatment 0.248 -0.00278 -0.1 0.251 0.00203 0.09 -0.0074 -0.0531 3210790 TimTec1_001546 CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G07 compound treatment 0.267 0.0162 0.6 0.266 0.017 0.78 0.978 0.992 1121781 TimTec1_001547 Cc1ccc(C)n1c2ccc(cc2)C(=O)OCC(=O)c3c(C)c(C)cc(C)c3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G08 compound treatment 0.322 0.0712 2.65 0.323 0.074 3.39 4.27 0.9926 1240166 TimTec1_001548 Nc1[nH]c(=S)sc1C(=O)Nc2nccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G09 compound treatment 0.254 0.00322 0.12 0.252 0.00303 0.14 0.1828 0.9973 3082775 TimTec1_001549 Brc1ccc(cc1)C2OCC(=S)N2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G10 compound treatment 0.257 0.00622 0.23 0.257 0.00803 0.37 0.4236 0.975 1301555 TimTec1_001550 CC(C)N(CCC#N)C(=O)c1c[nH]c2ccccc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G11 compound treatment 0.259 0.00822 0.31 0.26 0.011 0.51 0.5733 0.9711 1162047 TimTec1_001551 OC(=O)c1ccccc1C(=O)Nc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G12 compound treatment 0.263 0.0122 0.45 0.263 0.014 0.64 0.7756 0.9856 1376806 TimTec1_001552 Cc1ccc(C)c(c1)C2C3CCCC=C3C(=C(N)C2(C#N)C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G13 compound treatment 0.279 0.0282 1.05 0.278 0.029 1.33 1.6821 0.9932 1912519 TimTec1_001553 CN(C)Cc1cc(/C=N/C2CCCCC2)c(S)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G14 compound treatment 0.439 0.188 7.0 0.436 0.187 8.56 11.0057 0.995 1339047 TimTec1_001554 CCc1ccc(s1)C(C2C(=O)CC(C)(C)CC2=O)C3C(=O)CC(C)(C)CC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G15 compound treatment 0.255 0.00422 0.16 0.256 0.00703 0.32 0.3386 0.9454 3082839 TimTec1_001555 CCc1cc2cc(sc2s1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G16 compound treatment 0.256 0.00522 0.19 0.253 0.00403 0.18 0.2678 0.9997 3210791 TimTec1_001556 Nc1nonc1OCCNc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G17 compound treatment 0.265 0.0142 0.53 0.269 0.02 0.92 1.0225 0.9658 1225048 TimTec1_001557 CC(=O)Nc1nonc1NC2=CC(=O)CC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G18 compound treatment 0.258 0.00722 0.27 0.258 0.00903 0.41 0.4823 0.9781 1004952 TimTec1_001558 OC(c1nc2ccccc2[nH]1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G19 compound treatment 0.273 0.0222 0.83 0.27 0.021 0.96 1.2653 0.9971 1382010 TimTec1_001559 CCOc1ccc(OCC)c(CC2OC(=NC2=O)c3ccccc3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G20 compound treatment 0.277 0.0262 0.98 0.269 0.02 0.92 1.3381 0.9995 3082843 TimTec1_001560 COc1ccc(/C=C(/C#N)\c2ccc(Cl)cc2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G21 compound treatment 0.257 0.00622 0.23 0.254 0.00503 0.23 0.3265 1.0 1449158 TimTec1_001561 Brc1cccc(c1)C(CC(=O)c2ccccc2)C(C#N)C(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G22 compound treatment 0.27 0.0192 0.71 0.261 0.012 0.55 0.895 0.9917 1173213 TimTec1_001562 Clc1ccc(Cl)c(OCC(=O)NCc2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G23 mock treatment 0.252 0.00122 0.05 0.252 0.00303 0.14 0.1302 0.8917 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 G24 mock treatment 0.253 0.00222 0.08 0.255 0.00603 0.28 0.2536 0.88 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H01 compound treatment 0.25 -7.81E-4 -0.03 0.25 0.00103 0.05 0.0128 0.2316 3210792 TimTec1_001563 CN12CCCCC2C(COc3ccccc3Br)CCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H02 compound treatment 0.251 2.19E-4 0.01 0.252 0.00303 0.14 0.1039 0.7473 3082846 TimTec1_001564 Cc1ccc(cc1)C2=NNC3(CCOC(C)(C)C3)S2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H03 compound treatment 0.261 0.0102 0.38 0.261 0.012 0.55 0.6583 0.9836 3210793 TimTec1_001565 Clc1ccccc1/C=N/C2CCS(=O)(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H04 compound treatment 0.254 0.00322 0.12 0.253 0.00403 0.18 0.2152 0.978 1272351 TimTec1_001566 CC(C)(C)c1ccc2OCCOCCOCCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H05 compound treatment 0.267 0.0162 0.6 0.27 0.021 0.96 1.1075 0.9746 3210794 TimTec1_001567 c1nn(c2ccccc2)c3ncn4nnnc4c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H06 compound treatment 0.255 0.00422 0.16 0.253 0.00403 0.18 0.2415 0.9967 3082850 TimTec1_001568 COc1cccc(/C=C/C(=O)O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H07 compound treatment 0.263 0.0122 0.45 0.263 0.014 0.64 0.7756 0.9856 3210795 TimTec1_001569 COc1ccc(cc1OC)C2=N/C(=C/c3c(C)nn(c3N4CCCCC4)c5ccccc5)/C(=O)O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H08 compound treatment 0.238 -0.0128 -0.48 0.238 -0.011 -0.5 -0.6913 -0.9996 3210796 TimTec1_001570 Cn1c(=O)c(C/2=NNC(=O)\C2=C/c3c[nH]c4ccccc34)c(O)c5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H09 compound treatment 0.27 0.0192 0.71 0.276 0.027 1.24 1.3806 0.966 1574162 TimTec1_001571 CCc1cc(c2n[nH]c(C)c2c3nc4ccccc4n3C)c(O)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H10 compound treatment 0.252 0.00122 0.05 0.253 0.00403 0.18 0.1626 0.8553 1654421 TimTec1_001572 CS(=O)(=O)N(Cc1ccc(cc1)C(=O)O)c2cccc(Cl)c2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H11 compound treatment 0.26 0.00922 0.34 0.259 0.01 0.46 0.5672 0.9896 1562719 TimTec1_001573 O=C(CCN1C(=O)c2ccccc2C1=O)Nc3nnc[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H12 compound treatment 0.366 0.115 4.29 0.369 0.12 5.5 6.9165 0.9924 3210797 TimTec1_001574 Clc1ccc(cc1)N(C(=O)Nc2ccccc2Br)C3=NCCS3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H13 compound treatment 0.266 0.0152 0.57 0.267 0.018 0.83 0.9841 0.9831 1779116 TimTec1_001575 CCOC(=O)CCc1n[nH]c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H14 compound treatment 0.258 0.00722 0.27 0.253 0.00403 0.18 0.3204 0.9833 3210798 TimTec1_001576 CC(=O)OC1C(OC2C(OC(=O)C)C(=O)OC12)n3ccc(=O)[nH]c3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H15 compound treatment 0.267 0.0162 0.6 0.271 0.022 1.01 1.1399 0.9698 3082856 TimTec1_001577 CC(C)C1C(O)C/C(=C/CC/C(=C/C1O)/C)/C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H16 compound treatment 0.256 0.00522 0.19 0.252 0.00303 0.14 0.2354 0.9865 1079739 TimTec1_001578 CS(=O)(=O)c1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H17 compound treatment 0.272 0.0212 0.79 0.271 0.022 1.01 1.2714 0.9926 1036359 TimTec1_001579 Cc1ccc(CCCC(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H18 compound treatment 0.251 2.19E-4 0.01 0.252 0.00303 0.14 0.1039 0.7473 1014539 TimTec1_001580 S=C(Nc1ccccc1)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H19 compound treatment 0.261 0.0102 0.38 0.261 0.012 0.55 0.6583 0.9836 1593359 TimTec1_001581 Cc1ccc(cc1)c2nc3sc4C(=O)CC(C)(C)Cc4n3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H20 compound treatment 0.255 0.00422 0.16 0.256 0.00703 0.32 0.3386 0.9454 1240459 TimTec1_001582 CCOC(=O)C1C(=O)CN(C1=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H21 compound treatment 0.256 0.00522 0.19 0.256 0.00703 0.32 0.3649 0.9707 3082920 TimTec1_001583 CC12CCCCC2N(CCC(=O)N)c3ccccc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H22 compound treatment 0.256 0.00522 0.19 0.256 0.00703 0.32 0.3649 0.9707 1468638 TimTec1_001584 O=C1c2ccccc2C(=O)C1(Nc3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H23 mock treatment 0.254 0.00322 0.12 0.256 0.00703 0.32 0.3123 0.9092 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 H24 mock treatment 0.26 0.00922 0.34 0.254 0.00503 0.23 0.4054 0.9813 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I01 compound treatment 0.265 0.0142 0.53 0.257 0.00803 0.37 0.634 0.9842 1500758 TimTec1_001585 CCC(=O)NC1CC2C(OC1=O)c3cccc(C)c3NC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I02 compound treatment 0.255 0.00422 0.16 0.256 0.00703 0.32 0.3386 0.9454 3082924 TimTec1_001586 CC1CCC/C(=C\c2ccc3OCOc3c2)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I03 compound treatment 0.259 0.00822 0.31 0.259 0.01 0.46 0.5409 0.9804 3210799 TimTec1_001587 COC(=O)C1(C)NC2(CCCCC2)Cc3ccccc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I04 compound treatment 0.263 0.0122 0.45 0.261 0.012 0.55 0.7109 0.9954 1512799 TimTec1_001588 CC(C)(C)C1CCc2c(C1)sc3NC(NC(=O)c23)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I05 compound treatment 0.26 0.00922 0.34 0.259 0.01 0.46 0.5672 0.9896 1550718 TimTec1_001589 Cc1noc(COc2ccccc2OCC(=O)N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I06 compound treatment 0.262 0.0112 0.42 0.262 0.013 0.6 0.717 0.9847 3082927 TimTec1_001590 Cc1[nH]c(=O)n(c(=O)c1C)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I07 compound treatment 0.256 0.00522 0.19 0.255 0.00603 0.28 0.3325 0.9851 1716137 TimTec1_001591 CS(=O)(=O)Nc1cc(NS(=O)(=O)C)cc(c1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I08 compound treatment 0.292 0.0412 1.53 0.29 0.041 1.88 2.4125 0.9949 1611777 TimTec1_001592 COc1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I09 compound treatment 0.257 0.00622 0.23 0.257 0.00803 0.37 0.4236 0.975 3210800 TimTec1_001593 Cc1ccc(cc1)C(=O)/N=c\2/cccc[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I10 compound treatment 0.262 0.0112 0.42 0.26 0.011 0.51 0.6522 0.9955 1119826 TimTec1_001594 O=C(N1CCCCC1)c2c[nH]c3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I11 compound treatment 0.265 0.0142 0.53 0.265 0.016 0.73 0.893 0.9871 1603574 TimTec1_001595 Cc1sc(N)c(C(=O)N)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I12 compound treatment 0.307 0.0562 2.09 0.321 0.072 3.3 3.8107 0.9758 1363974 TimTec1_001596 COC(=O)C1(C#N)C(C(N2C1C=Cc3ccccc23)C(=O)c4ccccc4)c5ccc(C)cc5C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I13 compound treatment 0.263 0.0122 0.45 0.263 0.014 0.64 0.7756 0.9856 1916807 TimTec1_001597 CCS(=O)(=O)c1ccsc1S(=O)(=O)CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I14 compound treatment 0.263 0.0122 0.45 0.265 0.016 0.73 0.8404 0.9734 3082931 TimTec1_001598 NC1=C(C#N)C2=CCCCC2C(c3cccs3)C1(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I15 compound treatment 0.258 0.00722 0.27 0.259 0.01 0.46 0.5146 0.9673 1914041 TimTec1_001599 CSc1sc(SC)c(CO)c1CO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I16 compound treatment 0.258 0.00722 0.27 0.258 0.00903 0.41 0.4823 0.9781 3082933 TimTec1_001600 CC(C)(Oc1ccccc1Cl)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I17 compound treatment 0.262 0.0112 0.42 0.26 0.011 0.51 0.6522 0.9955 1737803 TimTec1_001601 CC(=O)Nc1nonc1Nc2cc(C)nn2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I18 compound treatment 0.268 0.0172 0.64 0.268 0.019 0.87 1.069 0.9885 3082935 TimTec1_001602 COc1ccccc1C(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I19 compound treatment 0.259 0.00822 0.31 0.257 0.00803 0.37 0.4762 0.9958 1115158 TimTec1_001603 Cc1cc(C)c(C)c(C(=O)O)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I20 compound treatment 0.264 0.0132 0.49 0.263 0.014 0.64 0.8019 0.9913 3210920 TimTec1_001604 CCNC(=S)Nc1ccc(OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I21 compound treatment 0.264 0.0132 0.49 0.265 0.016 0.73 0.8667 0.981 3082938 TimTec1_001605 Clc1ccc(/C(=C\c2ccc3OCOc3c2)/C#N)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I22 compound treatment 0.263 0.0122 0.45 0.263 0.014 0.64 0.7756 0.9856 1045982 TimTec1_001606 NC(=O)NS(=O)(=O)c1ccc(N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I23 mock treatment 0.262 0.0112 0.42 0.262 0.013 0.6 0.717 0.9847 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 I24 mock treatment 0.259 0.00822 0.31 0.249 3.13E-5 0.0 0.2172 0.7104 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J01 compound treatment 0.25 -7.81E-4 -0.03 0.243 -0.00597 -0.27 -0.2138 -0.7779 1479505 TimTec1_001607 OCCOc1c(Cl)cc(Cl)c2cccnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J02 compound treatment 0.247 -0.00378 -0.14 0.249 3.13E-5 0.0 -0.0984 -0.6999 1009854 TimTec1_001608 COc1ccc(cc1)C(O)C(=O)c2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J03 compound treatment 0.287 0.0362 1.35 0.283 0.034 1.56 2.0544 0.9974 3082941 TimTec1_001609 Cc1sc(/N=C/c2ccc(Br)s2)c(C(=O)N)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J04 compound treatment 0.255 0.00422 0.16 0.254 0.00503 0.23 0.2739 0.9825 1144212 TimTec1_001610 OC(=O)c1ccc2OCCOCCOCCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J05 compound treatment 0.267 0.0162 0.6 0.262 0.013 0.6 0.8485 1.0 3210921 TimTec1_001611 Cc1nnc(/N=C/2\S/C(=C/c3ccccc3F)/C(=O)N2CC=C)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J06 compound treatment 0.249 -0.00178 -0.07 0.247 -0.00197 -0.09 -0.1106 -0.9885 1115371 TimTec1_001612 COc1ccc(cc1)C(N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J07 compound treatment 0.316 0.0652 2.43 0.32 0.071 3.25 4.015 0.9896 3083016 TimTec1_001613 Brc1ccc(cc1)N2C(=O)C3ON(C(/C=C/c4ccccc4)C3C2=O)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J08 compound treatment 0.256 0.00522 0.19 0.259 0.01 0.46 0.462 0.9266 1351925 TimTec1_001614 CCOC(=O)c1[nH]c(C(=O)O)c(C(=O)OCc2ccccc2)c1CCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J09 compound treatment 0.606 0.355 13.21 0.614 0.365 16.71 21.1609 0.9932 3083019 TimTec1_001615 COc1cccc(/N=C/C2=C3N(CCC2)c4ccccc4C3(C)C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J10 compound treatment 0.25 -7.81E-4 -0.03 0.251 0.00203 0.09 0.0452 0.4641 1286584 TimTec1_001616 O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)C4CCCNC4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J11 compound treatment 0.25 -7.81E-4 -0.03 0.247 -0.00197 -0.09 -0.0843 -0.89 1208195 TimTec1_001617 NNC(=O)c1cc(n[nH]1)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J12 compound treatment 0.253 0.00222 0.08 0.253 0.00403 0.18 0.1889 0.9341 3083022 TimTec1_001618 CC(N)(Cc1ccc2OCOc2c1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J13 compound treatment 0.254 0.00322 0.12 0.253 0.00403 0.18 0.2152 0.978 3210922 TimTec1_001619 CN(C)c1ccc(/C=C\2/C(=NN(C2=O)c3nnc(C)c(=O)[nH]3)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J14 compound treatment 0.262 0.0112 0.42 0.27 0.021 0.96 0.976 0.93 1414476 TimTec1_001620 Cc1ccc(NC(=O)c2cccc3-c4ccccc4C(=O)c32)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J15 compound treatment 0.308 0.0572 2.13 0.311 0.062 2.84 3.5132 0.9899 1395626 TimTec1_001621 CC1C(=O)CCC2C(C)(COc3ccc4ccc(=O)oc4c3)CCCC12C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J16 compound treatment 0.253 0.00222 0.08 0.252 0.00303 0.14 0.1565 0.9692 1361860 TimTec1_001622 CC1(C)COC(OC1)c2ccc(O)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J17 compound treatment 0.274 0.0232 0.86 0.269 0.02 0.92 1.2592 0.9995 3083025 TimTec1_001623 CC(=CC(=O)Nc1ccc(Cl)cc1)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J18 compound treatment 0.255 0.00422 0.16 0.255 0.00603 0.28 0.3062 0.9641 3210923 TimTec1_001624 COc1ccccc1C(=O)N(C(C)C)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J19 compound treatment 0.262 0.0112 0.42 0.261 0.012 0.55 0.6846 0.9906 1015339 TimTec1_001625 OC(c1ccccc1)C(O)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J20 compound treatment 0.339 0.0882 3.28 0.337 0.088 4.03 5.1704 0.9948 1921357 TimTec1_001626 Brc1ccccc1C2OCC3(CO2)COC(OC3)c4ccccc4Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J21 compound treatment 0.278 0.0272 1.01 0.278 0.029 1.33 1.6558 0.991 3083029 TimTec1_001627 C[C@]1(CCC[C@]2(C)[C@H]3CC(O)[C@](C)(C=C)C=C3CC[C@@H]12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J22 compound treatment 0.255 0.00422 0.16 0.253 0.00403 0.18 0.2415 0.9967 1236876 TimTec1_001628 OCCC1(C(=O)c2ccccc2C1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J23 mock treatment 0.253 0.00222 0.08 0.256 0.00703 0.32 0.286 0.8605 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 J24 mock treatment 0.251 2.19E-4 0.01 0.246 -0.00297 -0.14 -0.0904 -0.6636 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K01 compound treatment 0.272 0.0212 0.79 0.269 0.02 0.92 1.2066 0.9972 1634606 TimTec1_001629 CCn1c(=O)c2C(=Nc3cc(C)ccc3Oc2c4ccccc14)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K02 compound treatment 0.285 0.0342 1.27 0.273 0.024 1.1 1.678 0.9974 3083031 TimTec1_001630 COc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K03 compound treatment 0.256 0.00522 0.19 0.259 0.01 0.46 0.462 0.9266 3210924 TimTec1_001631 COc1ccc(cc1)C2CC(=NC(=N)N2)c3cc(OC)cc(OC)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K04 compound treatment 0.262 0.0112 0.42 0.261 0.012 0.55 0.6846 0.9906 3210925 TimTec1_001632 OC(=O)c1cccc(c1)c2ccc(/C=N\n3cnnc3)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K05 compound treatment 0.316 0.0652 2.43 0.303 0.054 2.47 3.4646 1.0 1250333 TimTec1_001633 CCOC(=O)CSc1cc(Cl)c2cccc(C)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K06 compound treatment 0.26 0.00922 0.34 0.259 0.01 0.46 0.5672 0.9896 1029874 TimTec1_001634 CCOC(=O)C1(O)c2ccccc2-c3ccccc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K07 compound treatment 0.249 -0.00178 -0.07 0.25 0.00103 0.05 -0.0135 -0.1654 1426581 TimTec1_001635 CC(C)c1cc(NC(=O)c2ccccc2)c(C)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K08 compound treatment 0.258 0.00722 0.27 0.257 0.00803 0.37 0.4499 0.9881 1278979 TimTec1_001636 CN(C)c1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K09 compound treatment 0.258 0.00722 0.27 0.258 0.00903 0.41 0.4823 0.9781 3083036 TimTec1_001637 OC(=O)/C=C\C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K10 compound treatment 0.271 0.0202 0.75 0.273 0.024 1.1 1.3098 0.9828 1138966 TimTec1_001638 O=C(NC1CCCCC1)c2c[nH]c3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K11 compound treatment 0.256 0.00522 0.19 0.256 0.00703 0.32 0.3649 0.9707 3210926 TimTec1_001639 CN(C1CCCCC1)C(=O)CCCOc2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K12 compound treatment 0.268 0.0172 0.64 0.27 0.021 0.96 1.1338 0.9804 1449748 TimTec1_001640 Fc1ccc(cc1)C2C(C3C=Cc4ccccc4N3C2(C#N)C#N)C(=O)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K13 compound treatment 0.257 0.00622 0.23 0.256 0.00703 0.32 0.3912 0.9868 3083110 TimTec1_001641 CS(=O)(=O)c1ccc(s1)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K14 compound treatment 0.266 0.0152 0.57 0.267 0.018 0.83 0.9841 0.9831 1649383 TimTec1_001642 Cc1ccc(s1)C2C3CCCC=C3C(C#N)C(N)C2(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K15 compound treatment 0.26 0.00922 0.34 0.26 0.011 0.51 0.5996 0.9822 3083113 TimTec1_001643 CC1(C)C(c2nc(no2)c3ccc(Br)cc3)C1(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K16 compound treatment 0.236 -0.0148 -0.55 0.235 -0.014 -0.64 -0.841 -0.9972 1072463 TimTec1_001644 Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K17 compound treatment 0.265 0.0142 0.53 0.264 0.015 0.69 0.8606 0.9915 3083115 TimTec1_001645 COc1cc(/C=N/c2nonc2NC(=O)C)ccc1OC(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K18 compound treatment 0.257 0.00622 0.23 0.252 0.00303 0.14 0.2617 0.9701 1266444 TimTec1_001646 OC(=O)c1ccc(COc2ccccc2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K19 compound treatment 0.28 0.0292 1.09 0.278 0.029 1.33 1.7084 0.995 1199220 TimTec1_001647 COc1ccc(cc1)C2C(C(=O)N)C2(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K20 compound treatment 0.254 0.00322 0.12 0.254 0.00503 0.23 0.2475 0.9535 3083117 TimTec1_001648 CCNC(=S)Nc1c(C)cccc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K21 compound treatment 0.261 0.0102 0.38 0.261 0.012 0.55 0.6583 0.9836 3210927 TimTec1_001649 O=C/1/C(=C/c2cccc3OCOc32)/CCC\C1=C/c4cccc5OCOc54 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K22 compound treatment 0.261 0.0102 0.38 0.26 0.011 0.51 0.6259 0.9902 1204849 TimTec1_001650 Oc1ccc2c(=O)c(coc2c1CN3CCCCC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K23 mock treatment 0.261 0.0102 0.38 0.259 0.01 0.46 0.5935 0.9956 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 K24 mock treatment 0.246 -0.00478 -0.18 0.251 0.00203 0.09 -0.06 -0.2989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L01 compound treatment 0.242 -0.00878 -0.33 0.239 -0.00997 -0.46 -0.5537 -0.9865 1427041 TimTec1_001651 C(Cn1c2ccccc2c3ccccc13)c4nc5ccccc5[nH]4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L02 compound treatment 0.255 0.00422 0.16 0.257 0.00803 0.37 0.371 0.9279 1045556 TimTec1_001652 COc1ccc2[n+]([O-])cccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L03 compound treatment 0.257 0.00622 0.23 0.255 0.00603 0.28 0.3588 0.9961 3210928 TimTec1_001653 O=C(N1CCN(CC1)C2=NC(=O)/C(=C/c3cccs3)/S2)c4cc5ccccc5oc4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L04 compound treatment 0.264 0.0132 0.49 0.26 0.011 0.51 0.7048 0.9999 3083122 TimTec1_001654 COc1ccc(/C=C/C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L05 compound treatment 0.263 0.0122 0.45 0.27 0.021 0.96 1.0023 0.9413 1566626 TimTec1_001655 Fc1ccc(cc1)C(CC(=O)c2cccs2)SCc3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L06 compound treatment 0.254 0.00322 0.12 0.254 0.00503 0.23 0.2475 0.9535 1449697 TimTec1_001656 CC1Cc2cc(OCC(=O)O)ccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L07 compound treatment 0.256 0.00522 0.19 0.256 0.00703 0.32 0.3649 0.9707 3083124 TimTec1_001657 NC1=Cc2ccccc2CN1c3ccccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L08 compound treatment 0.263 0.0122 0.45 0.261 0.012 0.55 0.7109 0.9954 3210929 TimTec1_001658 COc1ccc(cc1)N2CC(=O)N(/N=C/c3ccccc3C(=O)O)C2=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L09 compound treatment 0.261 0.0102 0.38 0.267 0.018 0.83 0.8525 0.938 1667441 TimTec1_001659 NC(=O)c1ccccc1NC(=O)C2COc3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L10 compound treatment 0.253 0.00222 0.08 0.255 0.00603 0.28 0.2536 0.88 1921446 TimTec1_001660 CC1=CC(=O)N(CCc2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L11 compound treatment 0.282 0.0312 1.16 0.279 0.03 1.38 1.7934 0.9965 1703270 TimTec1_001661 Nc1c(C#N)c2nc(C#N)c(C#N)nc2n1Cc3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L12 compound treatment 0.257 0.00622 0.23 0.257 0.00803 0.37 0.4236 0.975 1414477 TimTec1_001662 CC(C)Cc1ccc(cc1)C(C)C(=O)NCCc2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L13 compound treatment 0.262 0.0112 0.42 0.266 0.017 0.78 0.8465 0.9571 1436746 TimTec1_001663 Nc1c(C#N)c2nc(C#N)c(C#N)nc2n1CCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L14 compound treatment 0.258 0.00722 0.27 0.255 0.00603 0.28 0.3851 0.9999 1148985 TimTec1_001664 CCCCC1(SCCS1)c2cc(O)cc(O)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L15 compound treatment 0.256 0.00522 0.19 0.258 0.00903 0.41 0.4297 0.9406 3083129 TimTec1_001665 Nc1cccc(c1)C2=NCCN2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L16 compound treatment 0.257 0.00622 0.23 0.258 0.00903 0.41 0.456 0.9623 3211052 TimTec1_001666 CNC(=S)Nc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L17 compound treatment 0.261 0.0102 0.38 0.262 0.013 0.6 0.6907 0.9763 3083131 TimTec1_001667 Cc1nc2ccc(Cl)cc2n1CO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L18 compound treatment 0.287 0.0362 1.35 0.296 0.047 2.15 2.4753 0.9745 1188527 TimTec1_001668 CN1CCCc2cc(ccc12)c3ccnc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L19 compound treatment 0.258 0.00722 0.27 0.257 0.00803 0.37 0.4499 0.9881 3211053 TimTec1_001669 CC(C)/C=c\1/[nH]c(=O)/c(=C/c2ccccc2)/[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L20 compound treatment 0.28 0.0292 1.09 0.281 0.032 1.47 1.8055 0.9891 3083134 TimTec1_001670 CCOC(=O)c1sc(NC(=O)C)c(C#N)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L21 compound treatment 0.248 -0.00278 -0.1 0.247 -0.00197 -0.09 -0.1369 -0.9976 3211054 TimTec1_001671 CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]3C[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N5CCCC[C@H]1[C@H]35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L22 compound treatment 0.292 0.0412 1.53 0.297 0.048 2.2 2.6392 0.9844 1341798 TimTec1_001672 O=C(Nc1ccccc1)OCC2(C(=O)c3ccccc3C2=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L23 mock treatment 0.256 0.00522 0.19 0.257 0.00803 0.37 0.3973 0.9554 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 L24 mock treatment 0.252 0.00122 0.05 0.246 -0.00297 -0.14 -0.0641 -0.4471 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M01 compound treatment 0.255 0.00422 0.16 0.256 0.00703 0.32 0.3386 0.9454 3083213 TimTec1_001673 C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc32)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M02 compound treatment 0.259 0.00822 0.31 0.254 0.00503 0.23 0.3791 0.9903 3211055 TimTec1_001674 Clc1ccc(cc1)C(CC(=O)c2ccc(Br)cc2)C3CCCCC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M03 compound treatment 0.25 -7.81E-4 -0.03 0.249 3.13E-5 0.0 -0.0195 -0.6715 3083215 TimTec1_001675 COc1ccc2CCC3[C@@](C)(CO)CCC[C@]3(C)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M04 compound treatment 0.3 0.0492 1.83 0.292 0.043 1.97 2.6877 0.9993 3211056 TimTec1_001676 COc1cc(/C=N\n2nnnc2N)cc(Cl)c1OCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M05 compound treatment 0.25 -7.81E-4 -0.03 0.248 -9.69E-4 -0.04 -0.0519 -0.979 1459549 TimTec1_001677 C=CCCN1C[C@@H]2CC(C1)c3cccc(=O)n3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M06 compound treatment 0.254 0.00322 0.12 0.254 0.00503 0.23 0.2475 0.9535 1091851 TimTec1_001678 CC1=C(SCCO1)C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M07 compound treatment 0.26 0.00922 0.34 0.251 0.00203 0.09 0.3082 0.8676 3083218 TimTec1_001679 OCn1nc(oc1=S)c2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M08 compound treatment 0.286 0.0352 1.31 0.287 0.038 1.74 2.1576 0.9902 3211058 TimTec1_001680 CN(C)c1ccc(cc1)N/2CC(=O)S\C2=N\C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M09 compound treatment 0.252 0.00122 0.05 0.248 -9.69E-4 -0.04 7.0E-4 0.0109 1163310 TimTec1_001681 CN(C(=O)CSc1ccccc1C(=O)O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M10 compound treatment 0.264 0.0132 0.49 0.252 0.00303 0.14 0.4458 0.8726 1289766 TimTec1_001682 Cc1ccccc1NC(=O)c2c[nH]c3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M11 compound treatment 0.256 0.00522 0.19 0.247 -0.00197 -0.09 0.0735 0.3435 3211059 TimTec1_001683 O=C/1ON=C(\C1=C\C=C\c2ccccc2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M12 compound treatment 0.313 0.0622 2.31 0.321 0.072 3.3 3.9685 0.985 1227323 TimTec1_001684 O=C(C1C(c2cccnc2)C(C#N)(C#N)C3C=Cc4ccccc4N13)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M13 compound treatment 0.249 -0.00178 -0.07 0.248 -9.69E-4 -0.04 -0.0782 -0.981 1914043 TimTec1_001685 CCSc1sc(CN(C)C)cc1/C=N/O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M14 compound treatment 0.271 0.0202 0.75 0.267 0.018 0.83 1.1156 0.9989 1340838 TimTec1_001686 CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2C1c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M15 compound treatment 0.252 0.00122 0.05 0.249 3.13E-5 0.0 0.0331 0.7291 1362482 TimTec1_001687 Nc1nonc1NC(=O)CSc2ncccc2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M16 compound treatment 0.253 0.00222 0.08 0.255 0.00603 0.28 0.2536 0.88 1375046 TimTec1_001688 NNC(=O)CSCc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M17 compound treatment 0.256 0.00522 0.19 0.254 0.00503 0.23 0.3002 0.9964 1460899 TimTec1_001689 CC(=O)Nc1nonc1N2CCCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M18 compound treatment 0.257 0.00622 0.23 0.255 0.00603 0.28 0.3588 0.9961 1065783 TimTec1_001690 CNC(=S)Nc1ccc(C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M19 compound treatment 0.253 0.00222 0.08 0.244 -0.00497 -0.23 -0.1025 -0.4236 1042406 TimTec1_001691 Clc1ccc(NC(=O)NC2CCCCC2)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M20 compound treatment 0.262 0.0112 0.42 0.26 0.011 0.51 0.6522 0.9955 1082102 TimTec1_001692 COc1ccc(NC(=S)Nc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M21 compound treatment 0.279 0.0282 1.05 0.281 0.032 1.47 1.7792 0.9865 3211060 TimTec1_001693 CN1C/C(=C\c2ccccc2C)/C(=O)\C(=C\c3ccccc3C)\C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M22 compound treatment 0.26 0.00922 0.34 0.257 0.00803 0.37 0.5025 0.9994 3083226 TimTec1_001694 O=C(/C(=C\1/NC(=O)c2ccccc2N1)/C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M23 mock treatment 0.254 0.00322 0.12 0.253 0.00403 0.18 0.2152 0.978 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 M24 mock treatment 0.247 -0.00378 -0.14 0.254 0.00503 0.23 0.0634 0.2351 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N01 compound treatment 0.243 -0.00778 -0.29 0.244 -0.00497 -0.23 -0.3655 -0.9929 1397605 TimTec1_001695 Cc1ccc(cc1)N(C2CCS(=O)(=O)C2)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N02 compound treatment 0.253 0.00222 0.08 0.249 3.13E-5 0.0 0.0594 0.7193 1024491 TimTec1_001696 COC(=O)c1ccc(=O)oc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N03 compound treatment 0.291 0.0402 1.5 0.3 0.051 2.34 2.71 0.9768 3211061 TimTec1_001697 O=C(CCCN1C(=O)S/C(=C/c2ccccc2)/C1=S)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N04 compound treatment 0.25 -7.81E-4 -0.03 0.243 -0.00597 -0.27 -0.2138 -0.7779 3083229 TimTec1_001698 Brc1cccc(c1)C(=O)C2=CC3Cc4ccccc4C3C=C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N05 compound treatment 0.238 -0.0128 -0.48 0.244 -0.00497 -0.23 -0.497 -0.9431 1440003 TimTec1_001699 CCc1cc(c2n[nH]c(CCC(=O)O)c2c3nc4ccccc4n3C)c(O)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N06 compound treatment 0.247 -0.00378 -0.14 0.244 -0.00497 -0.23 -0.2603 -0.9733 3083231 TimTec1_001700 OC(=O)C1(SCCCS1)C2CCC3OCOC3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N07 compound treatment 0.249 -0.00178 -0.07 0.243 -0.00597 -0.27 -0.2401 -0.8538 1108575 TimTec1_001701 C[N+](=Cc1ccc(C#N)cc1)[O-] 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N08 compound treatment 0.251 2.19E-4 0.01 0.244 -0.00497 -0.23 -0.1551 -0.6814 1363444 TimTec1_001702 OC(CN1C(=O)c2ccccc2C1=O)CN3CCN(CC3)c4ccccc4Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N09 compound treatment 0.246 -0.00478 -0.18 0.239 -0.00997 -0.46 -0.4485 -0.9156 1864240 TimTec1_001703 COc1cc(/C=C(\C#N)/c2ccc(Cl)cc2)ccc1OC(=O)C3COc4ccccc4O3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N10 compound treatment 0.248 -0.00278 -0.1 0.252 0.00303 0.14 0.025 0.1444 3082142 TimTec1_001704 CC(=O)O/C(=C\c1cn(C(=O)C)c2ccccc12)/C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N11 compound treatment 0.25 -7.81E-4 -0.03 0.247 -0.00197 -0.09 -0.0843 -0.89 1722000 TimTec1_001705 Cc1cccc(c1)N2C(=O)c3sc4nccc(=O)n4c3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N12 compound treatment 0.279 0.0282 1.05 0.28 0.031 1.42 1.7469 0.9889 1517994 TimTec1_001706 Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c4ccccc4)c5ccccc5)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N13 compound treatment 0.249 -0.00178 -0.07 0.245 -0.00397 -0.18 -0.1753 -0.9065 3082144 TimTec1_001707 Fc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N14 compound treatment 0.245 -0.00578 -0.22 0.249 3.13E-5 0.0 -0.151 -0.7024 1606324 TimTec1_001708 CN(C)c1nc2ccc(OCCN3CCOCC3)cc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N15 compound treatment 0.249 -0.00178 -0.07 0.244 -0.00497 -0.23 -0.2077 -0.8766 3082146 TimTec1_001709 CC(CC(=O)O)n1ccnc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N16 compound treatment 0.243 -0.00778 -0.29 0.246 -0.00297 -0.14 -0.3008 -0.9406 3211063 TimTec1_001710 CCNC(=S)Nc1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N17 compound treatment 0.26 0.00922 0.34 0.245 -0.00397 -0.18 0.114 0.2937 3082148 TimTec1_001711 C(CSc1nc2ccccc2o1)Sc3nc4ccccc4o3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N18 compound treatment 0.257 0.00622 0.23 0.24 -0.00897 -0.41 -0.1268 -0.2691 1722403 TimTec1_001712 OC(OCC1Cc2ccccc2O1)C3Cc4ccccc4O3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N19 compound treatment 0.252 0.00122 0.05 0.248 -9.69E-4 -0.04 7.0E-4 0.0109 3211064 TimTec1_001713 COc1ccc(/C=c/2\[nH]c(=O)\c(=C/c3ccc(OC)cc3)\[nH]c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N20 compound treatment 0.272 0.0212 0.79 0.27 0.021 0.96 1.239 0.9951 1707203 TimTec1_001714 Cc1cccc(Nc2nc3nonc3nc2Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N21 compound treatment 0.254 0.00322 0.12 0.252 0.00303 0.14 0.1828 0.9973 3211065 TimTec1_001715 CC(C)(C)C1(O)C=C(O)C(=O)N1c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N22 compound treatment 0.294 0.0432 1.61 0.294 0.045 2.06 2.5946 0.9924 1565579 TimTec1_001716 O=C(OCCC1(C(=O)c2ccccc2C1=O)c3ccccc3)c4cc5ccccc5oc4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N23 mock treatment 0.253 0.00222 0.08 0.247 -0.00197 -0.09 -0.0054 -0.0441 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 N24 mock treatment 0.25 -7.81E-4 -0.03 0.244 -0.00497 -0.23 -0.1814 -0.791 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O01 compound treatment 0.262 0.0112 0.42 0.265 0.016 0.73 0.8141 0.9642 3211066 TimTec1_001717 CC1=C(C)C2C(=NC(=NC2=O)c3ccc(o3)c4ccc(cc4)C(=O)O)S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O02 compound treatment 0.242 -0.00878 -0.33 0.24 -0.00897 -0.41 -0.5213 -0.9936 3082153 TimTec1_001718 CCOC(=O)c1[nH]c(C)c(CC(C)C)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O03 compound treatment 0.259 0.00822 0.31 0.265 0.016 0.73 0.7352 0.9246 1487341 TimTec1_001719 COc1ccc(NC(c2ccc(C)cc2)n3ncc4c(=O)n(C)c5ccccc5c34)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O04 compound treatment 0.275 0.0242 0.9 0.28 0.031 1.42 1.6417 0.9758 3082155 TimTec1_001720 Cc1sc2NC(NC(=O)c2c1C)/C=C/c3ccc4OCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O05 compound treatment 0.245 -0.00578 -0.22 0.248 -9.69E-4 -0.04 -0.1834 -0.8354 3211067 TimTec1_001721 CC[C@H]1CN2CCC3(C2C[C@@H]1/C(=C\OC)/C(=O)OC)C(=O)Nc4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O06 compound treatment 0.251 2.19E-4 0.01 0.255 0.00603 0.28 0.201 0.7276 1300191 TimTec1_001722 C(Nc1ncnc2nc[nH]c12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O07 compound treatment 0.258 0.00722 0.27 0.258 0.00903 0.41 0.4823 0.9781 3211068 TimTec1_001723 Cc1nn(c(C)c1/N=C/c2c(O)ccc3ccccc23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O08 compound treatment 0.249 -0.00178 -0.07 0.254 0.00503 0.23 0.116 0.4841 1782754 TimTec1_001724 OC(=O)c1c[nH]c2ccccc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O09 compound treatment 0.248 -0.00278 -0.1 0.248 -9.69E-4 -0.04 -0.1045 -0.9285 1165165 TimTec1_001725 C=CCn1nnnc1SCc2cccc(CSc3nnnn3CC=C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O10 compound treatment 0.493 0.242 9.01 0.511 0.262 12.0 14.8542 0.99 1284834 TimTec1_001726 CCc1ccccc1NC(=O)c2c[nH]c3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O11 compound treatment 0.518 0.267 9.94 0.483 0.234 10.72 14.6052 0.9993 3209092 TimTec1_001727 OC(=O)c1ccc(N/C=C/2\C(=O)ON=C2c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O12 compound treatment 0.254 0.00322 0.12 0.257 0.00803 0.37 0.3447 0.8913 1145898 TimTec1_001728 Nc1nc2CCCCCc2c(c1C#N)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O13 compound treatment 0.249 -0.00178 -0.07 0.244 -0.00497 -0.23 -0.2077 -0.8766 3209093 TimTec1_001729 Cc1cc(C(=O)O)c(s1)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O14 compound treatment 0.25 -7.81E-4 -0.03 0.248 -9.69E-4 -0.04 -0.0519 -0.979 1667092 TimTec1_001730 COc1ccc(cc1)c2c[nH]c(=N)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O15 compound treatment 0.25 -7.81E-4 -0.03 0.251 0.00203 0.09 0.0452 0.4641 1602686 TimTec1_001731 Nc1nonc1NC(=O)CSC2=NCCS2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O16 compound treatment 0.251 2.19E-4 0.01 0.254 0.00503 0.23 0.1686 0.7316 1216965 TimTec1_001732 COc1ccc(cc1OC)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O17 compound treatment 0.248 -0.00278 -0.1 0.255 0.00603 0.28 0.1221 0.4141 3209094 TimTec1_001733 CC(=O)Nc1nonc1Nc2csc(CC#N)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O18 compound treatment 0.257 0.00622 0.23 0.252 0.00303 0.14 0.2617 0.9701 3082865 TimTec1_001734 Cc1cccc(C)c1NS(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O19 compound treatment 0.291 0.0402 1.5 0.286 0.037 1.7 2.2567 0.998 3209095 TimTec1_001735 OC(=O)Nc1cc(Cl)cc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O20 compound treatment 0.263 0.0122 0.45 0.266 0.017 0.78 0.8728 0.967 3082867 TimTec1_001736 OC(=O)c1ccc(/N=C/c2ccc(o2)c3ccc(Cl)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O21 compound treatment 0.277 0.0262 0.98 0.275 0.026 1.19 1.5324 0.995 1913174 TimTec1_001737 CN1C/C(=C\c2ccc3OCOc3c2)/C(=O)\C(=C\c4ccc5OCOc5c4)\C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O22 compound treatment 0.247 -0.00378 -0.14 0.245 -0.00397 -0.18 -0.2279 -0.992 1594528 TimTec1_001738 NC(=O)c1ccc(OC2CSC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O23 mock treatment 0.249 -0.00178 -0.07 0.24 -0.00897 -0.41 -0.3372 -0.8107 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 O24 mock treatment 0.24 -0.0108 -0.4 0.246 -0.00297 -0.14 -0.3797 -0.8967 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P01 compound treatment 0.228 -0.0228 -0.85 0.24 -0.00897 -0.41 -0.8895 -0.9447 1562676 TimTec1_001739 S=c1oc(Cc2ccccc2)nn1CN3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P02 compound treatment 0.249 -0.00178 -0.07 0.248 -9.69E-4 -0.04 -0.0782 -0.981 1066227 TimTec1_001740 CC(=O)Nc1nc(C)cs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P03 compound treatment 0.241 -0.00978 -0.36 0.238 -0.011 -0.5 -0.6124 -0.9875 3209096 TimTec1_001741 Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1c4ccc(C)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P04 compound treatment 0.251 2.19E-4 0.01 0.249 3.13E-5 0.0 0.0068 0.8189 1472764 TimTec1_001742 OCCNC(=O)c1ccc2OCCOCCOCCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P05 compound treatment 0.252 0.00122 0.05 0.254 0.00503 0.23 0.1949 0.8303 1707455 TimTec1_001743 C(N1CCCc2ccccc12)c3cn4ccccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P06 compound treatment 0.248 -0.00278 -0.1 0.247 -0.00197 -0.09 -0.1369 -0.9976 1631427 TimTec1_001744 COc1ccc2c(CCC3=C(C)C(=O)CCC32C)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P07 compound treatment 0.264 0.0132 0.49 0.263 0.014 0.64 0.8019 0.9913 1684686 TimTec1_001745 N1C(Nc2cccc3cccc1c23)c4ccncc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P08 compound treatment 0.253 0.00222 0.08 0.254 0.00503 0.23 0.2212 0.9042 1244779 TimTec1_001746 C(OCc1ccccc1)C(CSc2ccccc2)OCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P09 compound treatment 0.271 0.0202 0.75 0.271 0.022 1.01 1.2451 0.9895 3082946 TimTec1_001747 Clc1ccccc1/C=C/C(=O)Nc2nnc[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P10 compound treatment 0.38 0.129 4.81 0.389 0.14 6.41 7.9323 0.9899 3209097 TimTec1_001748 O=C/1OC(=N\C1=C/c2c[nH]c3ccccc23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P11 compound treatment 0.253 0.00222 0.08 0.251 0.00203 0.09 0.1241 0.9982 1718471 TimTec1_001749 CCCc1cc(=O)n2c3C(=O)N(Cc4ccccc4)C(=O)c3sc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P12 compound treatment 0.246 -0.00478 -0.18 0.249 3.13E-5 0.0 -0.1247 -0.7014 1434439 TimTec1_001750 Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P13 compound treatment 0.253 0.00222 0.08 0.258 0.00903 0.41 0.3508 0.8318 3209098 TimTec1_001751 Cc1nnc(C)n1/N=C/C=C\c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P14 compound treatment 0.249 -0.00178 -0.07 0.249 3.13E-5 0.0 -0.0458 -0.6917 1284591 TimTec1_001752 CS(=O)(=O)Cc1ccc(Oc2ccc(NS(=O)(=O)C)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P15 compound treatment 0.275 0.0242 0.9 0.277 0.028 1.28 1.5445 0.985 1689423 TimTec1_001753 COc1cc-2c(CC3N(C)CCc4c(OC)c(OC)c(OC)c2c34)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P16 compound treatment 0.25 -7.81E-4 -0.03 0.246 -0.00297 -0.14 -0.1167 -0.8393 3082952 TimTec1_001754 CCNC(=S)N1CCOCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P17 compound treatment 0.249 -0.00178 -0.07 0.252 0.00303 0.14 0.0513 0.3335 1735540 TimTec1_001755 CCCCn1c(=O)oc2cc(Br)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P18 compound treatment 0.245 -0.00578 -0.22 0.242 -0.00697 -0.32 -0.3777 -0.9816 3209099 TimTec1_001756 FC(F)(F)c1cccc(NC(=O)CSc2cccc3cccnc23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P19 compound treatment 0.252 0.00122 0.05 0.254 0.00503 0.23 0.1949 0.8303 3082954 TimTec1_001757 CCN1CC(=O)N(C1=S)c2ccccc2OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P20 compound treatment 0.25 -7.81E-4 -0.03 0.25 0.00103 0.05 0.0128 0.2316 1412266 TimTec1_001758 CC(=O)n1c2ccc(C)cc2c3nc4ccccc4nc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P21 compound treatment 0.252 0.00122 0.05 0.251 0.00203 0.09 0.0978 0.9454 3209100 TimTec1_001759 Cc1cn(C2CC(NC(=O)C(C)(C)C)C(CO)O2)c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P22 compound treatment 0.408 0.157 5.85 0.34 0.091 4.17 7.0823 0.9862 1065752 TimTec1_001760 O=C1C(=Cc2c[nH]c3ccccc23)C(=O)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P23 mock treatment 0.252 0.00122 0.05 0.25 0.00103 0.05 0.0654 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2067 P24 mock treatment 0.237 -0.0138 -0.51 0.241 -0.00797 -0.36 -0.6205 -0.9861 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A01 compound treatment 0.276 0.0279 1.04 0.266 0.017 0.78 1.2844 0.9899 3082958 TimTec1_001761 O=C1C(=Cc2cccnc2)C(=O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A02 compound treatment 0.236 -0.0121 -0.45 0.249 0.0 0.0 -0.3181 -0.7071 3209101 TimTec1_001762 COc1ccc2S/C(=C/3\OC(=S)N(C)C3=O)/N(C)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A03 compound treatment 0.241 -0.00709 -0.26 0.247 -0.002 -0.09 -0.2513 -0.8999 1919999 TimTec1_001763 Cc1cc(Br)c(c(Br)c1)S(=O)(=O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A04 compound treatment 0.229 -0.0191 -0.71 0.251 0.002 0.09 -0.4374 -0.6109 1199633 TimTec1_001764 NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A05 compound treatment 0.236 -0.0121 -0.45 0.23 -0.019 -0.87 -0.9332 -0.9529 1313236 TimTec1_001765 Cc1ccc(OCC(=O)O)c(c1)c2ccno2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A06 compound treatment 0.238 -0.0101 -0.38 0.235 -0.014 -0.64 -0.7187 -0.9675 1074315 TimTec1_001766 Cc1ccc(cc1)c2nc3ccccc3c(=O)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A07 compound treatment 0.282 0.0339 1.26 0.278 0.029 1.33 1.8307 0.9997 1096423 TimTec1_001767 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A08 compound treatment 0.245 -0.00309 -0.12 0.244 -0.005 -0.23 -0.2433 -0.9493 3209102 TimTec1_001768 Cc1ccc(s1)C(=O)CSCC(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A09 compound treatment 0.251 0.00291 0.11 0.257 0.008 0.37 0.3354 0.8783 1239893 TimTec1_001769 CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccccc2)(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A10 compound treatment 0.238 -0.0101 -0.38 0.242 -0.007 -0.32 -0.4921 -0.9969 1315182 TimTec1_001770 Cc1cccc(n1)C2Nc3ccccc3C(=O)N2CCc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A11 compound treatment 0.326 0.0779 2.9 0.317 0.068 3.11 4.2506 0.9994 1522752 TimTec1_001771 COc1ccccc1c2oc3ccccc3c(=O)c2OC(=O)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A12 compound treatment 0.255 0.00691 0.26 0.253 0.004 0.18 0.3111 0.9863 1519057 TimTec1_001772 CC(NC(=O)COc1ccccc1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A13 compound treatment 0.276 0.0279 1.04 0.266 0.017 0.78 1.2844 0.9899 3082964 TimTec1_001773 COC(=O)c1sc2nc(C)cc(c2c1N)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A14 compound treatment 0.247 -0.00109 -0.04 0.245 -0.004 -0.18 -0.1583 -0.8436 1723203 TimTec1_001774 NNC(=O)C(O)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A15 compound treatment 0.274 0.0259 0.96 0.263 0.014 0.64 1.1346 0.9804 3209103 TimTec1_001775 COc1ccc(/C=C\2/SC(=S)NC2=O)cc1COc3ccc(F)cc3F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A16 compound treatment 0.253 0.00491 0.18 0.249 0.0 0.0 0.129 0.7071 1432060 TimTec1_001776 NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A17 compound treatment 0.253 0.00491 0.18 0.241 -0.008 -0.37 -0.13 -0.3176 1236095 TimTec1_001777 COc1ccc(cc1)c2cc([nH]c(=S)c2C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A18 compound treatment 0.232 -0.0161 -0.6 0.228 -0.021 -0.96 -1.1032 -0.974 1129328 TimTec1_001778 COc1ccccc1CCNC(=O)c2ccc(COc3ccccc3Cl)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A19 compound treatment 0.241 -0.00709 -0.26 0.24 -0.009 -0.41 -0.478 -0.9768 3083042 TimTec1_001779 Oc1ccc(Br)cc1/C=N/n2cnc3sc4CCCCc4c3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A20 compound treatment 0.278 0.0299 1.11 0.229 -0.02 -0.92 0.139 0.0965 1178649 TimTec1_001780 COc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A21 compound treatment 0.24 -0.00809 -0.3 0.236 -0.013 -0.6 -0.6338 -0.9501 1547489 TimTec1_001781 CCOC(=O)COc1ccc(Br)cc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A22 compound treatment 0.235 -0.0131 -0.49 0.239 -0.01 -0.46 -0.6681 -0.9995 3209104 TimTec1_001782 CC(C)(C)S(=O)(=O)c1ccccc1/C=N/O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A23 mock treatment 0.23 -0.0181 -0.67 0.245 -0.004 -0.18 -0.6054 -0.868 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 A24 mock treatment 0.201 -0.0471 -1.75 0.224 -0.025 -1.14 -2.048 -0.9787 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B01 compound treatment 0.245 -0.00309 -0.12 0.246 -0.003 -0.14 -0.1785 -0.9961 3083046 TimTec1_001783 N/C(=N\O)/C(=O)Nc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B02 compound treatment 0.259 0.0109 0.41 0.255 0.006 0.27 0.4811 0.982 1679359 TimTec1_001784 OC(=O)CCCN1C(=O)CSC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B03 compound treatment 0.278 0.0299 1.11 0.275 0.026 1.19 1.6283 0.9994 3209105 TimTec1_001785 CC(c1cc(Cl)ccc1[N+]#[C-])S(=O)(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B04 compound treatment 0.259 0.0109 0.41 0.257 0.008 0.37 0.5459 0.9987 1620877 TimTec1_001786 CC(C)(C)c1nc(C#N)c(o1)N2CCC(CC2)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B05 compound treatment 0.285 0.0369 1.37 0.272 0.023 1.05 1.7153 0.9914 1533552 TimTec1_001787 CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCC2=CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B06 compound treatment 0.278 0.0299 1.11 0.274 0.025 1.14 1.596 0.9999 3083049 TimTec1_001788 Brc1ccc2C(C#N)C(C=Cc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B07 compound treatment 0.248 -9.38E-5 0.0 0.242 -0.007 -0.32 -0.2291 -0.7148 1606872 TimTec1_001789 CCOC(=O)C1=C(C)N(C(=C(C#N)C1c2ccc(Br)cc2)N)c3nonc3NC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B08 compound treatment 0.319 0.0709 2.64 0.303 0.054 2.47 3.6132 0.9995 3083051 TimTec1_001790 O=C(NC1=SC2=C(CCCC2)C1C#N)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B09 compound treatment 0.249 9.06E-4 0.03 0.251 0.002 0.09 0.0886 0.9078 3209106 TimTec1_001791 CCOC(=O)c1c(N)c[nH]c1NCc2ccc(Cl)nc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B10 compound treatment 0.414 0.166 6.17 0.396 0.147 6.73 9.1228 0.9991 3209225 TimTec1_001792 Cc1c(/C=C/2\S/C(=N/c3ccccc3)/N(C4CCCC4)C2=O)c5ccccc5n1CC(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B11 compound treatment 0.253 0.00491 0.18 0.253 0.004 0.18 0.2585 1.0 1450803 TimTec1_001793 CCN(CC)c1nc2ccccc2c(=O)n1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B12 compound treatment 0.257 0.00891 0.33 0.256 0.007 0.32 0.4609 0.9999 3083054 TimTec1_001794 COc1ccc(cc1)c2nn(CN3CCOCC3)c(=S)[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B13 compound treatment 0.284 0.0359 1.34 0.278 0.029 1.33 1.8833 1.0 1437460 TimTec1_001795 Cc1nn(c2SC(=C3C(c12)c4ccccc4OC3=O)N)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B14 compound treatment 0.262 0.0139 0.52 0.263 0.014 0.64 0.819 0.9943 1123272 TimTec1_001796 CSc1nc2ccc(cc2s1)S(=O)(=O)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B15 compound treatment 0.321 0.0729 2.71 0.322 0.073 3.34 4.281 0.9946 3209226 TimTec1_001797 CC1CS/C(=C(/C(=O)O)\C(=O)/C=C/c2cccc(O)c2)/S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B16 compound treatment 0.271 0.0229 0.85 0.265 0.016 0.73 1.1205 0.9972 1179029 TimTec1_001798 C(Cn1c(CSc2nc3ccccc3o2)nc4ccccc14)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B17 compound treatment 0.276 0.0279 1.04 0.271 0.022 1.01 1.4462 0.9999 3209227 TimTec1_001799 OC(=O)C(Cc1c[nH]cn1)NC2CNN=C2c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B18 compound treatment 0.282 0.0339 1.26 0.278 0.029 1.33 1.8307 0.9997 3209228 TimTec1_001800 Cc1ccc(cc1)C2=NNC(S2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B19 compound treatment 0.255 0.00691 0.26 0.255 0.006 0.27 0.3759 0.9994 1431685 TimTec1_001801 Fc1cccc(Cl)c1c2nc(=S)[nH]c3[nH]c(=S)[nH]c(=S)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B20 compound treatment 0.255 0.00691 0.26 0.255 0.006 0.27 0.3759 0.9994 1251757 TimTec1_001802 Fc1ccc(CSc2ccccc2C(=O)NC3CC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B21 compound treatment 0.323 0.0749 2.79 0.301 0.052 2.38 3.6537 0.9969 3209229 TimTec1_001803 NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Cl)sc3CCCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B22 compound treatment 0.282 0.0339 1.26 0.27 0.021 0.96 1.5717 0.991 1601676 TimTec1_001804 O=C(COc1ccccc1)Nc2ccc(cc2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B23 mock treatment 0.258 0.00991 0.37 0.254 0.005 0.23 0.4224 0.9738 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 B24 mock treatment 0.251 0.00291 0.11 0.25 0.001 0.05 0.1088 0.9269 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C01 compound treatment 0.219 -0.0291 -1.08 0.221 -0.028 -1.28 -1.6717 -0.9964 1124602 TimTec1_001805 CCCC(=O)CC(C1C(=O)c2ccccc2C1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C02 compound treatment 0.244 -0.00409 -0.15 0.244 -0.005 -0.23 -0.2696 -0.9804 1456543 TimTec1_001806 NC(=S)Nc1ccc(cc1)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C03 compound treatment 0.257 0.00891 0.33 0.258 0.009 0.41 0.5256 0.9941 3083139 TimTec1_001807 CN(C(=S)SCc1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C04 compound treatment 0.255 0.00691 0.26 0.251 0.002 0.09 0.2464 0.9035 3209230 TimTec1_001808 COc1ccc(cc1)C2NNC(=S)S2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C05 compound treatment 0.344 0.0959 3.57 0.369 0.12 5.49 6.4076 0.9781 1627479 TimTec1_001809 Clc1ccc2occ(c3nc4ccccc4[nH]3)c(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C06 compound treatment 0.249 9.06E-4 0.03 0.249 0.0 0.0 0.0238 0.7071 1585678 TimTec1_001810 CCCC(Nc1cc(Cl)cc(Cl)c1)n2nnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C07 compound treatment 0.257 0.00891 0.33 0.255 0.006 0.27 0.4285 0.9957 1693611 TimTec1_001811 COc1cc2ccc(=O)oc2c(O)c1OCC=C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C08 compound treatment 0.253 0.00491 0.18 0.251 0.002 0.09 0.1938 0.9491 1333990 TimTec1_001812 COc1c2COC(=O)c2c(CSc3nnnn3c4ccccc4)c(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C09 compound treatment 0.255 0.00691 0.26 0.252 0.003 0.14 0.2788 0.957 1282090 TimTec1_001813 COc1cc2ccc(=O)oc2c(OC(=O)C)c1OC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C10 compound treatment 0.249 9.06E-4 0.03 0.251 0.002 0.09 0.0886 0.9078 1488752 TimTec1_001814 O=C(CSc1nnnn1Cc2ccccc2)Nc3ccccc3Oc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C11 compound treatment 0.27 0.0219 0.81 0.271 0.022 1.01 1.2884 0.9945 3083144 TimTec1_001815 Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C3SCCS3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C12 compound treatment 0.272 0.0239 0.89 0.272 0.023 1.05 1.3734 0.9965 1118830 TimTec1_001816 CCc1ccc(OCC(=O)Nc2nnc[nH]2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C13 compound treatment 0.25 0.00191 0.07 0.248 -0.001 -0.05 0.0178 0.2104 1376257 TimTec1_001817 OC(=O)C1CCCCC1C(=O)Nc2ccc3OCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C14 compound treatment 0.246 -0.00209 -0.08 0.248 -0.001 -0.05 -0.0874 -0.9679 1783811 TimTec1_001818 CCCc1cc(=O)nc(SCC(=O)N)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C15 compound treatment 0.242 -0.00609 -0.23 0.245 -0.004 -0.18 -0.2898 -0.9944 1028427 TimTec1_001819 NC(Cc1ccccc1F)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C16 compound treatment 0.25 0.00191 0.07 0.253 0.004 0.18 0.1796 0.9147 1545473 TimTec1_001820 COc1ccccc1OCc2ccc(o2)C(=O)NCC(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C17 compound treatment 0.252 0.00391 0.15 0.254 0.005 0.23 0.2646 0.9759 3209231 TimTec1_001821 O=C1C2NN=CC2C(=O)N1Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C18 compound treatment 0.276 0.0279 1.04 0.275 0.026 1.19 1.5757 0.9977 1165247 TimTec1_001822 CC1Cc2ccccc2N1C(=O)Nc3ccc(Cl)c(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C19 compound treatment 0.238 -0.0101 -0.38 0.238 -0.011 -0.5 -0.6216 -0.9895 1627796 TimTec1_001823 COC(=O)c1ccc(CN2CCN(CC2)c3ccccc3OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C20 compound treatment 0.244 -0.00409 -0.15 0.248 -0.001 -0.05 -0.14 -0.8808 1491738 TimTec1_001824 O=C(N1CCOCC1)c2ccc(CSc3ncccn3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C21 compound treatment 0.246 -0.00209 -0.08 0.248 -0.001 -0.05 -0.0874 -0.9679 3209232 TimTec1_001825 CN(C)c1ccc(/C=C/C(=O)C(=C2SCCS2)C(=O)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C22 compound treatment 0.245 -0.00309 -0.12 0.25 0.001 0.05 -0.049 -0.3956 3083151 TimTec1_001826 CCN(CC)S(=O)(=O)c1ccccc1/C=N/O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C23 mock treatment 0.241 -0.00709 -0.26 0.241 -0.008 -0.37 -0.4456 -0.987 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 C24 mock treatment 0.231 -0.0171 -0.64 0.234 -0.015 -0.69 -0.9352 -0.9993 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D01 compound treatment 0.256 0.00791 0.29 0.271 0.022 1.01 0.9202 0.8769 3209233 TimTec1_001827 CC(Oc1ccc(C)cc1)n2ccc3CCCCc32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D02 compound treatment 0.265 0.0169 0.63 0.267 0.018 0.82 1.0274 0.9911 1189402 TimTec1_001828 CN(C)CCCN1C(C(=C(O)C1=O)C(=O)c2cccs2)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D03 compound treatment 0.247 -0.00109 -0.04 0.25 0.001 0.05 0.0036 0.0589 1710381 TimTec1_001829 Cc1ccc(cc1)S(=O)(=O)C(CC=C)c2cc(Cl)ccc2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D04 compound treatment 0.246 -0.00209 -0.08 0.253 0.004 0.18 0.0744 0.374 3209234 TimTec1_001830 Cc1ccc2nc(NCc3cccnc3)c(/C=N/Cc4cccnc4)c(=O)n2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D05 compound treatment 0.261 0.0129 0.48 0.258 0.009 0.41 0.6308 0.9971 1327331 TimTec1_001831 O=C1N(C(=O)c2ccccc12)c3ccc(C#N)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D06 compound treatment 0.299 0.0509 1.89 0.287 0.038 1.74 2.5692 0.9991 1663256 TimTec1_001832 CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D07 compound treatment 0.324 0.0759 2.82 0.311 0.062 2.84 4.0037 1.0 3209235 TimTec1_001833 CC(=O)/N=C/1\NC(=O)\C(=C\c2ccc(o2)c3ccc4C(=O)OCc4c3)\S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D08 compound treatment 0.312 0.0639 2.38 0.313 0.064 2.93 3.7529 0.9946 1576966 TimTec1_001834 CCOc1ccc2nc3c(=O)[nH]c(=O)nc3[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D09 compound treatment 0.262 0.0139 0.52 0.26 0.011 0.5 0.7219 0.9999 3209236 TimTec1_001835 CC1(C)COC(=N1)/C=C(\O)/c2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D10 compound treatment 0.251 0.00291 0.11 0.253 0.004 0.18 0.2059 0.9684 3082165 TimTec1_001836 Cc1ccc(cc1)/C(=N/O)/N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D11 compound treatment 0.258 0.00991 0.37 0.255 0.006 0.27 0.4548 0.9895 1734335 TimTec1_001837 Cc1cccc(c1)N2CCN(CC(O)CN3C(=O)c4ccccc4C3=O)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D12 compound treatment 0.265 0.0169 0.63 0.263 0.014 0.64 0.8979 1.0 1573706 TimTec1_001838 Clc1cccc2cccc(c12)S(=O)(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D13 compound treatment 0.264 0.0159 0.59 0.253 0.004 0.18 0.5479 0.8846 1609998 TimTec1_001839 CN(C)CCCn1c(N)c(c2nc3ccccc3[nH]2)c4nc(C#N)c(C#N)nc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D14 compound treatment 0.253 0.00491 0.18 0.259 0.01 0.46 0.4528 0.9187 3082168 TimTec1_001840 Clc1cc(C#N)ccc1CSc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D15 compound treatment 0.255 0.00691 0.26 0.256 0.007 0.32 0.4083 0.994 1310660 TimTec1_001841 OC(=O)c1ccc(cc1)C2SCC(=O)N2NS(=O)(=O)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D16 compound treatment 0.317 0.0689 2.56 0.312 0.063 2.88 3.852 0.9983 1357681 TimTec1_001842 Nn1c(SCc2ccc(F)c3ccccc23)nc4ccccc4c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D17 compound treatment 0.267 0.0189 0.7 0.266 0.017 0.78 1.0476 0.9987 3082170 TimTec1_001843 CN(C)c1ccc(cc1)C2=NN(CC2NC(Cc3c[nH]cn3)C(=O)O)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D18 compound treatment 0.261 0.0129 0.48 0.263 0.014 0.64 0.7927 0.9898 1273745 TimTec1_001844 O=C(N1CCCc2ccccc12)c3ccccc3SCc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D19 compound treatment 0.253 0.00491 0.18 0.254 0.005 0.23 0.2909 0.9937 3209237 TimTec1_001845 COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D20 compound treatment 0.255 0.00691 0.26 0.252 0.003 0.14 0.2788 0.957 3082173 TimTec1_001846 CC(O)C(O)C(O)C(O)C1NN=C(S1)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D21 compound treatment 0.257 0.00891 0.33 0.258 0.009 0.41 0.5256 0.9941 3209358 TimTec1_001847 C(Oc1ccccc1)C2CO/C(=N\c3ccccc3)/S2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D22 compound treatment 0.253 0.00491 0.18 0.25 0.001 0.05 0.1614 0.8579 1506008 TimTec1_001848 O=C(COc1ccccc1)N2CCN(CC2)C(=O)COc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D23 mock treatment 0.253 0.00491 0.18 0.256 0.007 0.32 0.3557 0.9644 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 D24 mock treatment 0.247 -0.00109 -0.04 0.243 -0.006 -0.27 -0.223 -0.8031 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E01 compound treatment 0.245 -0.00309 -0.12 0.249 0.0 0.0 -0.0814 -0.7071 1600927 TimTec1_001849 OC(=O)C1CCCN1C(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E02 compound treatment 0.251 0.00291 0.11 0.253 0.004 0.18 0.2059 0.9684 3209359 TimTec1_001850 CS/C(=N/CC=C)/N1CCN(CC1)\C(=N/CC=C)\SC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E03 compound treatment 0.255 0.00691 0.26 0.255 0.006 0.27 0.3759 0.9994 1599515 TimTec1_001851 C(N1CCN(Cc2cccs2)C1c3cccs3)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E04 compound treatment 0.258 0.00991 0.37 0.258 0.009 0.41 0.5519 0.9984 3209360 TimTec1_001852 C=CCc1nc2ccccc2c(=O)n1CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E05 compound treatment 0.329 0.0809 3.01 0.318 0.069 3.16 4.3619 0.9997 1613532 TimTec1_001853 Oc1ccc(Cl)cc1C(=O)c2cnc-3c(COc4ccccc43)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E06 compound treatment 0.283 0.0349 1.3 0.278 0.029 1.33 1.857 0.9999 3082178 TimTec1_001854 N#C/C(=C/c1cccc2ccccc12)/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E07 compound treatment 0.274 0.0259 0.96 0.267 0.018 0.82 1.2641 0.997 1314321 TimTec1_001855 COC1C2C=COC2=Nc3c(OC)cccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E08 compound treatment 0.271 0.0229 0.85 0.265 0.016 0.73 1.1205 0.9972 3082180 TimTec1_001856 CCCCc1cc(CCCC)n2nc(cc2n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E09 compound treatment 0.26 0.0119 0.44 0.256 0.007 0.32 0.5398 0.9874 1232294 TimTec1_001857 COc1cc2OCc3oc4c5CC(Oc5ccc4c(=O)c3-c2cc1OC)C(=C)CO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E10 compound treatment 0.269 0.0209 0.78 0.267 0.018 0.82 1.1326 0.9996 1242147 TimTec1_001858 SC1=NN(C2=C(CCC2)S1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E11 compound treatment 0.251 0.00291 0.11 0.257 0.008 0.37 0.3354 0.8783 1647435 TimTec1_001859 CCSc1nnc(NC(=O)C2CC=CCC2C(=O)O)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E12 compound treatment 0.266 0.0179 0.67 0.265 0.016 0.73 0.989 0.9989 1075403 TimTec1_001860 OC(=O)CCCSc1nc2ccccc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E13 compound treatment 0.263 0.0149 0.55 0.259 0.01 0.46 0.7158 0.9955 3082203 TimTec1_001861 CCOC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc3CC(C)CCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E14 compound treatment 0.258 0.00991 0.37 0.26 0.011 0.5 0.6167 0.9882 3082205 TimTec1_001862 Cc1ccn(n1)C(=S)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E15 compound treatment 0.259 0.0109 0.41 0.257 0.008 0.37 0.5459 0.9987 1913414 TimTec1_001863 NC(=O)CSc1nnnn1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E16 compound treatment 0.256 0.00791 0.29 0.259 0.01 0.46 0.5317 0.9771 1534949 TimTec1_001864 CC(C)CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E17 compound treatment 0.265 0.0169 0.63 0.265 0.016 0.73 0.9627 0.9971 1920302 TimTec1_001865 Cc1sc2ncnc(SCC(=O)O)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E18 compound treatment 0.257 0.00891 0.33 0.259 0.01 0.46 0.558 0.9874 1565212 TimTec1_001866 CCN(CC)C(=O)c1ccc(COc2ccccc2Cl)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E19 compound treatment 0.261 0.0129 0.48 0.262 0.013 0.6 0.7603 0.9943 3082210 TimTec1_001867 CCOc1cccc(/C=C/2\SC(=S)N(CC)C2=O)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E20 compound treatment 0.264 0.0159 0.59 0.264 0.015 0.69 0.904 0.9972 1608939 TimTec1_001868 O=C(N1CCOCC1)c2ccc(CSc3cccc4cccnc34)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E21 compound treatment 0.255 0.00691 0.26 0.259 0.01 0.46 0.5054 0.9627 3082212 TimTec1_001869 Cc1cc(no1)N2C(=O)CCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E22 compound treatment 0.26 0.0119 0.44 0.257 0.008 0.37 0.5722 0.9956 3082214 TimTec1_001870 CN(Cc1ccccc1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E23 mock treatment 0.252 0.00391 0.15 0.253 0.004 0.18 0.2322 0.9934 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 E24 mock treatment 0.236 -0.0121 -0.45 0.247 -0.002 -0.09 -0.3828 -0.834 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F01 compound treatment 0.779 0.531 19.75 0.75 0.501 22.94 30.1839 0.9972 1506581 TimTec1_001871 CCCc1cc(=S)sc(N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F02 compound treatment 0.259 0.0109 0.41 0.259 0.01 0.46 0.6106 0.9982 1696777 TimTec1_001872 Cc1c(oc2ccccc12)C(=O)NC3CCS(=O)(=O)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F03 compound treatment 0.263 0.0149 0.55 0.265 0.016 0.73 0.9101 0.9906 1274289 TimTec1_001873 COc1ccc(NC=O)c(CS(=O)(=O)c2ccc(C)cc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F04 compound treatment 0.245 -0.00309 -0.12 0.249 0.0 0.0 -0.0814 -0.7071 3209361 TimTec1_001874 CC(C)(C)c1ccc(/C=C/C(=O)NC2CCS(=O)(=O)C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F05 compound treatment 0.268 0.0199 0.74 0.262 0.013 0.6 0.9444 0.9941 3082218 TimTec1_001875 OC(=O)/C=C/C(=O)NN1C(=O)c2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F06 compound treatment 0.274 0.0259 0.96 0.275 0.026 1.19 1.5231 0.9945 1130638 TimTec1_001876 CC1(C)Cc2ccccc2-c3nc(SCC(=O)c4ccccc4)n(CC=C)c(=O)c31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F07 compound treatment 0.272 0.0239 0.89 0.264 0.015 0.69 1.1144 0.9919 1779186 TimTec1_001877 CC(C)COC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F08 compound treatment 0.394 0.146 5.43 0.365 0.116 5.31 7.5931 0.9999 3209362 TimTec1_001878 O=C/1NC(=S)S\C1=C/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F09 compound treatment 0.314 0.0659 2.45 0.324 0.075 3.43 4.1616 0.9863 3209363 TimTec1_001879 CC(C)(C)c1ccc(/C=C/2\CCCC(=C3SCCCS3)C2=O)c4OCOc41 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F10 compound treatment 0.364 0.116 4.31 0.358 0.109 4.99 6.5775 0.9973 3082222 TimTec1_001880 CN1CC=C2[C@@H](C1)[C@H](c3ccncc3)C(C#N)(C#N)C(=C2C(=O)O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F11 compound treatment 0.282 0.0339 1.26 0.282 0.033 1.51 1.9602 0.996 1653015 TimTec1_001881 OC12OCCN(C2=CC(=O)c3ccccc31)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F12 compound treatment 0.263 0.0149 0.55 0.263 0.014 0.64 0.8453 0.9974 3082224 TimTec1_001882 Cn1cnnc1SCc2ccc(cc2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F13 compound treatment 0.276 0.0279 1.04 0.269 0.02 0.92 1.3815 0.998 3209364 TimTec1_001883 Cc1ccc(cc1)C(=O)OC2CSC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F14 compound treatment 0.288 0.0399 1.48 0.293 0.044 2.01 2.4741 0.9887 1312775 TimTec1_001884 COc1cc(NC(=O)c2ccc(CSC3CCCCC3)cc2)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F15 compound treatment 0.294 0.0459 1.71 0.289 0.04 1.83 2.5024 0.9994 3082227 TimTec1_001885 Fc1ccc(cc1Cl)C2=NNC3(C2)C(=O)Nc4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F16 compound treatment 0.263 0.0149 0.55 0.269 0.02 0.92 1.0396 0.9711 1110868 TimTec1_001886 CC(C)(Oc1ccc(Br)cc1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F17 compound treatment 0.333 0.0849 3.16 0.329 0.08 3.66 4.8232 0.9973 3209365 TimTec1_001887 CCCC(=O)c1ccc2=Sc3ccccc3N(=c2c1)CCCN(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F18 compound treatment 0.281 0.0329 1.22 0.287 0.038 1.74 2.0958 0.9852 3082260 TimTec1_001888 O=C(NCCOc1ccccc1c2ccccc2)c3cccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F19 compound treatment 0.26 0.0119 0.44 0.258 0.009 0.41 0.6045 0.9994 3082232 TimTec1_001889 CCSc1nnc([nH]1)c2c(Cl)c(CC)nn2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F20 compound treatment 0.288 0.0399 1.48 0.281 0.032 1.47 2.0856 1.0 3082235 TimTec1_001890 Fc1ccc(cc1)C(=O)CCCSc2nc3ccc(Cl)cc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F21 compound treatment 0.349 0.101 3.75 0.331 0.082 3.75 5.3088 1.0 1676324 TimTec1_001891 CC1=Nc2ccccc2N(CC(O)Cn3c4ccccc4c5ccccc35)C(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F22 compound treatment 0.259 0.0109 0.41 0.26 0.011 0.5 0.643 0.9942 3082237 TimTec1_001892 CSc1nc2CCCCCc2cc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F23 mock treatment 0.259 0.0109 0.41 0.256 0.007 0.32 0.5135 0.9932 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 F24 mock treatment 0.258 0.00991 0.37 0.255 0.006 0.27 0.4548 0.9895 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G01 compound treatment 0.267 0.0189 0.7 0.269 0.02 0.92 1.1448 0.9915 3082238 TimTec1_001893 NC(=O)CSc1nc(ccc1C#N)c2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G02 compound treatment 0.345 0.0969 3.6 0.352 0.103 4.72 5.8835 0.9912 3209366 TimTec1_001894 Ic1ccc(/C=C/2\SC(=N)NC2=O)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G03 compound treatment 0.26 0.0119 0.44 0.262 0.013 0.6 0.734 0.9894 3082240 TimTec1_001895 CN(Cc1cccs1)C(=S)SCc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G04 compound treatment 0.261 0.0129 0.48 0.258 0.009 0.41 0.6308 0.9971 3209367 TimTec1_001896 NC(=O)Cn1nnc(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G05 compound treatment 0.254 0.00591 0.22 0.256 0.007 0.32 0.382 0.983 3209368 TimTec1_001897 OC(=O)c1ccccc1c2ccc(/C=N/N3C(=O)C4C5CC(C=C5)C4C3=O)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G06 compound treatment 0.248 -9.38E-5 0.0 0.251 0.002 0.09 0.0623 0.6797 1473623 TimTec1_001898 CCCCC1(CC(=O)N2CCOCC2)C(=O)N(N(C1=O)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G07 compound treatment 0.261 0.0129 0.48 0.265 0.016 0.73 0.8575 0.979 3209369 TimTec1_001899 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G08 compound treatment 0.268 0.0199 0.74 0.262 0.013 0.6 0.9444 0.9941 1265525 TimTec1_001900 Cc1cc(=O)n2nc(nc2[nH]1)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G09 compound treatment 0.253 0.00491 0.18 0.253 0.004 0.18 0.2585 1.0 3209370 TimTec1_001901 CC(C)C(O)(C(C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G10 compound treatment 0.257 0.00891 0.33 0.257 0.008 0.37 0.4933 0.9987 3082244 TimTec1_001902 Sc1nnc(Cc2cccc3ccccc23)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G11 compound treatment 0.281 0.0329 1.22 0.273 0.024 1.1 1.6425 0.9986 3209371 TimTec1_001903 OC(=O)C1C(C2CC1C=C2)C(=O)Nc3nc4ccc(Br)cc4s3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G12 compound treatment 0.265 0.0169 0.63 0.268 0.019 0.87 1.0598 0.9873 1779185 TimTec1_001904 CC(C)OC(=O)C(C)Nc1n[nH]c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G13 compound treatment 0.26 0.0119 0.44 0.255 0.006 0.27 0.5074 0.9736 3082246 TimTec1_001905 Cc1cc(C)n(n1)C(=O)CSc2nc(C)c(C)cc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G14 compound treatment 0.259 0.0109 0.41 0.256 0.007 0.32 0.5135 0.9932 1137282 TimTec1_001906 O=C(Nc1ccccc1)c2ccn(n2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G15 compound treatment 0.249 9.06E-4 0.03 0.247 -0.002 -0.09 -0.0409 -0.4193 3209372 TimTec1_001907 Cc1cc(NC(=O)C(F)(F)F)n(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G16 compound treatment 0.255 0.00691 0.26 0.253 0.004 0.18 0.3111 0.9863 1200660 TimTec1_001908 CN(C1CCCCC1)C(=O)c2ccc(COc3ccc(C)c(C)c3)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G17 compound treatment 0.284 0.0359 1.34 0.281 0.032 1.47 1.9804 0.9989 1113186 TimTec1_001909 Brc1ccc2noc(c3ccccc3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G18 compound treatment 0.256 0.00791 0.29 0.258 0.009 0.41 0.4993 0.9863 1294501 TimTec1_001910 CN(C(=O)c1ccc(COc2ccccc2Cl)o1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G19 compound treatment 0.253 0.00491 0.18 0.252 0.003 0.14 0.2262 0.9902 3209491 TimTec1_001911 COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCC4(C3C[C@@H]21)C(=O)Nc5ccccc54 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G20 compound treatment 0.255 0.00691 0.26 0.253 0.004 0.18 0.3111 0.9863 1332425 TimTec1_001912 Cc1nnc(SCc2ccc(cc2)C(=O)N3CCOCC3)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G21 compound treatment 0.253 0.00491 0.18 0.258 0.009 0.41 0.4204 0.9329 1920052 TimTec1_001913 OC(=O)/C=C/C(=O)NCc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G22 compound treatment 0.254 0.00591 0.22 0.259 0.01 0.46 0.4791 0.9434 1403707 TimTec1_001914 CC(C)(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G23 mock treatment 0.252 0.00391 0.15 0.255 0.006 0.27 0.297 0.9557 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 G24 mock treatment 0.249 9.06E-4 0.03 0.245 -0.004 -0.18 -0.1057 -0.5674 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H01 compound treatment 0.246 -0.00209 -0.08 0.251 0.002 0.09 0.0097 0.0806 3209492 TimTec1_001915 CCOC(C)n1cccc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H02 compound treatment 0.248 -9.38E-5 0.0 0.255 0.006 0.27 0.1918 0.6981 1257360 TimTec1_001916 CC(C)Cc1nc(C#N)c(NCC=C)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H03 compound treatment 0.271 0.0229 0.85 0.258 0.009 0.41 0.8938 0.9444 1616013 TimTec1_001917 Cc1ccc(cc1)S(=O)(=O)c2n[nH]c3ccc(Cl)cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H04 compound treatment 0.308 0.0599 2.23 0.292 0.043 1.97 2.9678 0.9981 1492803 TimTec1_001918 CC(C)OC(=O)C1=C(C)NC(=O)NC1C2CCC=CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H05 compound treatment 0.261 0.0129 0.48 0.261 0.012 0.55 0.728 0.9977 3082254 TimTec1_001919 NC(=N)NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H06 compound treatment 0.253 0.00491 0.18 0.253 0.004 0.18 0.2585 1.0 3209493 TimTec1_001920 FC(F)(F)c1cccc(NC(=O)Cn2ccc3ccccc23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H07 compound treatment 0.263 0.0149 0.55 0.265 0.016 0.73 0.9101 0.9906 3082255 TimTec1_001921 CSc1nnc(C)c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H08 compound treatment 0.279 0.0309 1.15 0.276 0.027 1.24 1.687 0.9993 1174278 TimTec1_001922 COc1ccc(cc1)C(=O)Nc2cccc(c2)c3nc4ccccc4s3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H09 compound treatment 0.26 0.0119 0.44 0.255 0.006 0.27 0.5074 0.9736 1288259 TimTec1_001923 Cn1nc(CC(=O)NN)c2ccccc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H10 compound treatment 0.245 -0.00309 -0.12 0.253 0.004 0.18 0.0481 0.2225 1396336 TimTec1_001924 COc1ccc(Cl)cc1C(=O)N2CCCC2C(=O)OCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H11 compound treatment 0.288 0.0399 1.48 0.275 0.026 1.19 1.8914 0.994 1259025 TimTec1_001925 COc1ccc(cc1)c2cc(nc(NC(=S)N)n2)c3ccccc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H12 compound treatment 0.254 0.00591 0.22 0.254 0.005 0.23 0.3172 0.9998 3209494 TimTec1_001926 CSc1ccccc1C(=O)NCCOc2ccccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H13 compound treatment 0.261 0.0129 0.48 0.26 0.011 0.5 0.6956 0.9997 3082265 TimTec1_001927 O=C(OC1CSC1)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H14 compound treatment 0.253 0.00491 0.18 0.26 0.011 0.5 0.4852 0.9057 1610378 TimTec1_001928 CCS(=O)(=O)Nc1ccc(Br)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H15 compound treatment 0.321 0.0729 2.71 0.314 0.065 2.98 4.022 0.9989 1433512 TimTec1_001929 COc1ccc2cc(C3SC(C)C(=O)N3C4CCCO4)c(Cl)nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H16 compound treatment 0.243 -0.00509 -0.19 0.249 0.0 0.0 -0.134 -0.7071 1347404 TimTec1_001930 CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(C1=O)C3(CCCCC3)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H17 compound treatment 0.353 0.105 3.9 0.349 0.1 4.58 5.9968 0.9968 1631720 TimTec1_001931 Cc1ccc(cc1)C2C=C(NC(=O)C2C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H18 compound treatment 0.257 0.00891 0.33 0.261 0.012 0.55 0.6228 0.9707 3082269 TimTec1_001932 CS(=O)(=O)c1nc(n[nH]1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H19 compound treatment 0.263 0.0149 0.55 0.257 0.008 0.37 0.6511 0.9798 1458072 TimTec1_001933 C1OC(OCc2nonc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H20 compound treatment 0.25 0.00191 0.07 0.249 0.0 0.0 0.0501 0.7071 1288232 TimTec1_001934 CC(=C)CC(N)(CC(=C)C)c1ccncc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H21 compound treatment 0.257 0.00891 0.33 0.257 0.008 0.37 0.4933 0.9987 1301124 TimTec1_001935 CSc1nsc(SC)c1NC(=O)OCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H22 compound treatment 0.281 0.0329 1.22 0.273 0.024 1.1 1.6425 0.9986 3209495 TimTec1_001936 CC1CCN(CC1)S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H23 mock treatment 0.258 0.00991 0.37 0.26 0.011 0.5 0.6167 0.9882 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 H24 mock treatment 0.25 0.00191 0.07 0.246 -0.003 -0.14 -0.047 -0.304 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I01 compound treatment 0.271 0.0229 0.85 0.275 0.026 1.19 1.4442 0.9865 1268779 TimTec1_001937 Cc1ccc2c(N)c(sc2n1)C(=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I02 compound treatment 0.282 0.0339 1.26 0.288 0.039 1.79 2.1544 0.9855 3209496 TimTec1_001938 Nc1sc(=S)n(c1c2nc3ccccc3s2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I03 compound treatment 0.35 0.102 3.79 0.342 0.093 4.26 5.6912 0.9983 1735247 TimTec1_001939 Cc1ccc(cc1)N(c2ccc(C)cc2)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I04 compound treatment 0.258 0.00991 0.37 0.259 0.01 0.46 0.5843 0.9942 1463202 TimTec1_001940 S=c1oc2ccccc2n1Cn3c(=S)oc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I05 compound treatment 0.258 0.00991 0.37 0.264 0.015 0.69 0.7462 0.9574 1128826 TimTec1_001941 Cc1ccc(cc1C)N(Cc2ccc(cc2)C(=O)O)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I06 compound treatment 0.257 0.00891 0.33 0.264 0.015 0.69 0.7199 0.9441 1310569 TimTec1_001942 O=C(CSc1nc2ccccc2nc1SCC(=O)N3CCCCC3)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I07 compound treatment 0.268 0.0199 0.74 0.285 0.036 1.65 1.6891 0.9348 1383182 TimTec1_001943 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I08 compound treatment 0.268 0.0199 0.74 0.266 0.017 0.78 1.0739 0.9997 1574289 TimTec1_001944 CC(C)(C)NC(=O)CSc1nc2ccccc2nc1SCC(=O)NC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I09 compound treatment 0.26 0.0119 0.44 0.257 0.008 0.37 0.5722 0.9956 3209497 TimTec1_001945 COC(C)C(O)(C(C)C)C(=O)OC1=CCN2CC[C@H](O)[C@H]21 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I10 compound treatment 0.263 0.0149 0.55 0.263 0.014 0.64 0.8453 0.9974 1160311 TimTec1_001946 Cc1ccc(o1)C(=O)CSC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I11 compound treatment 0.259 0.0109 0.41 0.259 0.01 0.46 0.6106 0.9982 1681019 TimTec1_001947 S=C(NC1CCCCC1)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I12 compound treatment 0.264 0.0159 0.59 0.266 0.017 0.78 0.9687 0.9908 1315095 TimTec1_001948 Cc1nnc(NCCc2ccccc2)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I13 compound treatment 0.264 0.0159 0.59 0.27 0.021 0.96 1.0983 0.9728 3209498 TimTec1_001949 CC1CCc2c(C#N)c(NC(=O)c3cc4nc(cc(n4n3)C(F)(F)F)c5ccccc5)sc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I14 compound treatment 0.255 0.00691 0.26 0.254 0.005 0.23 0.3435 0.9983 1544670 TimTec1_001950 CCOc1ccc(cc1)c2nc3ccc(Br)cc3c(C(=O)O)c2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I15 compound treatment 0.261 0.0129 0.48 0.265 0.016 0.73 0.8575 0.979 3209499 TimTec1_001951 Oc1ccc(cc1)c2nc3sc(nc3s2)c4ccc(O)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I16 compound treatment 0.254 0.00591 0.22 0.26 0.011 0.5 0.5115 0.9308 1375855 TimTec1_001952 Clc1ccc(Cl)c(OCc2ccc(o2)C(=O)NC3CCCC3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I17 compound treatment 0.265 0.0169 0.63 0.256 0.007 0.32 0.6713 0.9511 1710780 TimTec1_001953 Cc1ccc(cc1)C(=O)OCC2OC3C(Oc4c(C)c(=O)ncn34)C2OC(=O)c5ccc(C)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I18 compound treatment 0.261 0.0129 0.48 0.26 0.011 0.5 0.6956 0.9997 1488850 TimTec1_001954 CC(C)c1ccc(OCc2ccc(o2)C(=O)N(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I19 compound treatment 0.258 0.00991 0.37 0.264 0.015 0.69 0.7462 0.9574 3082282 TimTec1_001955 c1ccc(cc1)c2ccnc(c2)c3cc(ccn3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I20 compound treatment 0.26 0.0119 0.44 0.26 0.011 0.5 0.6693 0.9979 3209500 TimTec1_001956 O=S(=O)(c1ccsc1)c2ccsc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I21 compound treatment 0.257 0.00891 0.33 0.253 0.004 0.18 0.3637 0.961 1577514 TimTec1_001957 CC1Oc2ccccc2C(=O)N1c3ccc(OC=C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I22 compound treatment 0.263 0.0149 0.55 0.264 0.015 0.69 0.8777 0.9944 1686206 TimTec1_001958 CC(C)(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I23 mock treatment 0.261 0.0129 0.48 0.259 0.01 0.46 0.6632 0.9997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 I24 mock treatment 0.259 0.0109 0.41 0.241 -0.008 -0.37 0.0278 0.0509 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J01 compound treatment 0.247 -0.00109 -0.04 0.255 0.006 0.27 0.1655 0.5959 3082285 TimTec1_001959 CC(C)OC(C)n1cccc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J02 compound treatment 0.29 0.0419 1.56 0.287 0.038 1.74 2.3325 0.9985 1308224 TimTec1_001960 Cc1c(oc2ccccc12)C(=O)Nc3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J03 compound treatment 0.269 0.0209 0.78 0.265 0.016 0.73 1.0679 0.9996 1495070 TimTec1_001961 COc1ccccc1NCC(=O)n2nc(cc2c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J04 compound treatment 0.264 0.0159 0.59 0.262 0.013 0.6 0.8392 1.0 3209501 TimTec1_001962 Cc1ccc(cc1)S(=O)(=O)/C(=C/C2=Cc3ccccc3OC2)/C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J05 compound treatment 0.265 0.0169 0.63 0.265 0.016 0.73 0.9627 0.9971 3082288 TimTec1_001963 Oc1cccc(/C=N/c2ccccc2C#N)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J06 compound treatment 0.276 0.0279 1.04 0.272 0.023 1.05 1.4786 1.0 1558299 TimTec1_001964 CCOc1ccc(NC(=O)CN2CCCc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J07 compound treatment 0.253 0.00491 0.18 0.249 0.0 0.0 0.129 0.7071 1170983 TimTec1_001965 COC(=O)C(NC(=O)Nc1ccccc1)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J08 compound treatment 0.265 0.0169 0.63 0.262 0.013 0.6 0.8655 0.9996 1183270 TimTec1_001966 CC(C)CC(=O)Nc1cccc(c1)c2nc3cc(C)ccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J09 compound treatment 0.259 0.0109 0.41 0.258 0.009 0.41 0.5782 1.0 1047437 TimTec1_001967 CC(C(=O)O)(c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J10 compound treatment 0.282 0.0339 1.26 0.28 0.031 1.42 1.8954 0.9983 3209502 TimTec1_001968 CN1C(=O)/C(=C(/C#N)\C(=O)N)/c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J11 compound treatment 0.256 0.00791 0.29 0.255 0.006 0.27 0.4022 0.9994 3082292 TimTec1_001969 CC1(O)CCOCC1NC(Cc2cc3ccccc3[nH]2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J12 compound treatment 0.254 0.00591 0.22 0.255 0.006 0.27 0.3496 0.9939 3209503 TimTec1_001970 CN1C(=O)C2C=CC=CC2N=C1SCC(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J13 compound treatment 0.251 0.00291 0.11 0.256 0.007 0.32 0.3031 0.896 1534000 TimTec1_001971 O=C(c1nnn2CC(=O)OC3(CCCCC3)c12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J14 compound treatment 0.266 0.0179 0.67 0.269 0.02 0.92 1.1185 0.9878 3082295 TimTec1_001972 O=C(CSCc1ccccc1)Nc2ccccc2C(=O)NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J15 compound treatment 0.248 -9.38E-5 0.0 0.246 -0.003 -0.14 -0.0996 -0.7248 3209618 TimTec1_001973 OC(=O)CC(S/C(=N/C1CCCC=C1)/N2CCCCC2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J16 compound treatment 0.428 0.18 6.69 0.435 0.186 8.52 10.7537 0.9929 3209619 TimTec1_001974 CC(C)CCCN1C(=O)NC(=O)/C(=C\c2ccc[nH]2)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J17 compound treatment 0.263 0.0149 0.55 0.258 0.009 0.41 0.6834 0.9893 3082297 TimTec1_001975 O=C(N/C(=C\c1cccnc1)/C(=O)N2CCCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J18 compound treatment 0.252 0.00391 0.15 0.255 0.006 0.27 0.297 0.9557 1185980 TimTec1_001976 COc1cc(CNC(=O)c2ccccc2SC)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J19 compound treatment 0.268 0.0199 0.74 0.266 0.017 0.78 1.0739 0.9997 3082299 TimTec1_001977 c1coc(c1)c2cc(on2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J20 compound treatment 0.262 0.0139 0.52 0.259 0.01 0.46 0.6895 0.9982 3209620 TimTec1_001978 FC(F)(F)C(=O)Nc1sc2CCCCc2c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J21 compound treatment 0.259 0.0109 0.41 0.26 0.011 0.5 0.643 0.9942 1168141 TimTec1_001979 Cc1cc(C)c(C#N)c(SCCN2CCCCC2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J22 compound treatment 0.258 0.00991 0.37 0.257 0.008 0.37 0.5196 1.0 1235345 TimTec1_001980 O=C(NCCC1=CCCCC1)C(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J23 mock treatment 0.253 0.00491 0.18 0.247 -0.002 -0.09 0.0643 0.3149 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 J24 mock treatment 0.246 -0.00209 -0.08 0.25 0.001 0.05 -0.0227 -0.2512 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K01 compound treatment 0.255 0.00691 0.26 0.255 0.006 0.27 0.3759 0.9994 3209621 TimTec1_001981 Cc1nc2ccc(cc2n1CCc3ccccc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K02 compound treatment 0.296 0.0479 1.78 0.282 0.033 1.51 2.3284 0.9966 3082327 TimTec1_001982 Cc1ccc2nc(NC(=O)OC(C)(C)C)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K03 compound treatment 0.251 0.00291 0.11 0.25 0.001 0.05 0.1088 0.9269 1449100 TimTec1_001983 C[N+]1(Cc2ccccc2)CCCC1c3ccc(N)nc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K04 compound treatment 0.252 0.00391 0.15 0.255 0.006 0.27 0.297 0.9557 3082329 TimTec1_001984 CC(=O)On1cc(F)c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K05 compound treatment 0.262 0.0139 0.52 0.266 0.017 0.78 0.9161 0.9803 1405621 TimTec1_001985 Cc1cc2ccc(=O)oc2cc1OC[C@@H](O)C(C)(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K06 compound treatment 0.246 -0.00209 -0.08 0.251 0.002 0.09 0.0097 0.0806 3082331 TimTec1_001986 Cn1c(S)ncc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K07 compound treatment 0.253 0.00491 0.18 0.26 0.011 0.5 0.4852 0.9057 1398791 TimTec1_001987 CNCC(O)c1cccc(O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K08 compound treatment 0.257 0.00891 0.33 0.256 0.007 0.32 0.4609 0.9999 3209623 TimTec1_001988 COc1ccc(cc1)C2NN(CN3CCOCC3)C(=S)N2Cc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K09 compound treatment 0.257 0.00891 0.33 0.256 0.007 0.32 0.4609 0.9999 1115322 TimTec1_001989 COc1ccn(C)c(=O)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K10 compound treatment 0.254 0.00591 0.22 0.254 0.005 0.23 0.3172 0.9998 3082334 TimTec1_001990 CC1=C(C)N(N=C(S)S1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K11 compound treatment 0.252 0.00391 0.15 0.25 0.001 0.05 0.1351 0.8869 3209624 TimTec1_001991 O=C(C1CCCO1)N2CCN(C/C=C/c3ccccc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K12 compound treatment 0.255 0.00691 0.26 0.251 0.002 0.09 0.2464 0.9035 3082336 TimTec1_001992 CN(C)CCNc1nc(=O)[nH]nc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K13 compound treatment 0.307 0.0589 2.19 0.308 0.059 2.7 3.4595 0.9946 1514990 TimTec1_001993 Clc1ccc(cc1)C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K14 compound treatment 0.361 0.113 4.2 0.351 0.102 4.67 6.2719 0.9986 3082338 TimTec1_001994 O/C=C\1/C(=O)NC(=O)N(C1=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K15 compound treatment 0.255 0.00691 0.26 0.256 0.007 0.32 0.4083 0.994 1598606 TimTec1_001995 CC(=O)Nc1nonc1NC2=CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K16 compound treatment 0.259 0.0109 0.41 0.266 0.017 0.78 0.8372 0.9539 1221200 TimTec1_001996 CC(C)CNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K17 compound treatment 0.26 0.0119 0.44 0.259 0.01 0.46 0.6369 0.9999 3209625 TimTec1_001997 CC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K18 compound treatment 0.263 0.0149 0.55 0.259 0.01 0.46 0.7158 0.9955 1148960 TimTec1_001998 CCc1ccc(cc1)c2cc(C(=O)OC)c3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K19 compound treatment 0.259 0.0109 0.41 0.256 0.007 0.32 0.5135 0.9932 3209626 TimTec1_001999 O=C(ON1C(=O)CCC1=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K20 compound treatment 0.253 0.00491 0.18 0.254 0.005 0.23 0.2909 0.9937 3082343 TimTec1_002000 CCOC(=O)CSc1nc(C)cs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K21 compound treatment 0.259 0.0109 0.41 0.257 0.008 0.37 0.5459 0.9987 3209627 TimTec1_002001 CC(NC(C(=O)O)c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K22 compound treatment 0.256 0.00791 0.29 0.255 0.006 0.27 0.4022 0.9994 1544248 TimTec1_002002 COc1cccc(NC(=O)COC(=O)C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K23 mock treatment 0.258 0.00991 0.37 0.256 0.007 0.32 0.4872 0.9976 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 K24 mock treatment 0.254 0.00591 0.22 0.257 0.008 0.37 0.4144 0.9701 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L01 compound treatment 0.246 -0.00209 -0.08 0.254 0.005 0.23 0.1068 0.4417 3209628 TimTec1_002003 CC(C)(O)/C(=C/C#N)/n1cccn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L02 compound treatment 0.26 0.0119 0.44 0.256 0.007 0.32 0.5398 0.9874 3209629 TimTec1_002004 COc1ccc(OCC(=O)Sc2ccc(Cl)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L03 compound treatment 0.253 0.00491 0.18 0.256 0.007 0.32 0.3557 0.9644 3082347 TimTec1_002005 O=C(/C=C/c1ccccc1)N2CCN(Cc3ccccc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L04 compound treatment 0.27 0.0219 0.81 0.261 0.012 0.55 0.9647 0.9816 1118669 TimTec1_002006 COc1cccc(c1)C(CC(=O)c2ccc(Cl)cc2)C(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L05 compound treatment 0.249 9.06E-4 0.03 0.254 0.005 0.23 0.1857 0.8026 3082349 TimTec1_002007 CC(C)OC(=O)C(C)/N=C/c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L06 compound treatment 0.271 0.0229 0.85 0.268 0.019 0.87 1.2176 0.9999 3209630 TimTec1_002008 Clc1ccc(SC(CC(=O)C2CC2)c3ccc(Cl)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L07 compound treatment 0.252 0.00391 0.15 0.249 0.0 0.0 0.1027 0.7071 1021708 TimTec1_002009 c1ccc(cc1)c2nc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L08 compound treatment 0.26 0.0119 0.44 0.256 0.007 0.32 0.5398 0.9874 3209631 TimTec1_002010 COC(=O)c1c(N/C=C/2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)sc4CCCCc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L09 compound treatment 0.256 0.00791 0.29 0.257 0.008 0.37 0.467 0.9941 1168270 TimTec1_002011 CCN(CC)c1ncn(Cc2c(Cl)cccc2Cl)c3ncnc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L10 compound treatment 0.253 0.00491 0.18 0.252 0.003 0.14 0.2262 0.9902 3209632 TimTec1_002012 COc1ccccc1OCCNC(=O)c2ccc(cc2)S(=O)(=O)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L11 compound treatment 0.255 0.00691 0.26 0.254 0.005 0.23 0.3435 0.9983 3082356 TimTec1_002013 OCC/N=C(/N1CCN(CC1)\C(=N\CCO)\c2ccc(Cl)cc2)\c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L12 compound treatment 0.26 0.0119 0.44 0.262 0.013 0.6 0.734 0.9894 1733839 TimTec1_002014 Cn1c(SCc2ccoc2C(=O)O)nnc1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L13 compound treatment 0.259 0.0109 0.41 0.259 0.01 0.46 0.6106 0.9982 1368186 TimTec1_002015 NC(=O)CC(=O)c1c(O)c2ccccc2n(c3ccccc3)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L14 compound treatment 0.3 0.0519 1.93 0.305 0.056 2.56 3.1783 0.9902 3082357 TimTec1_002016 Fc1ccccc1OCCNC(=O)c2ccccc2Nc3cccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L15 compound treatment 0.251 0.00291 0.11 0.251 0.002 0.09 0.1412 0.9966 3209633 TimTec1_002017 NC(=O)/C(=C/c1ccc(Cl)cc1)/NC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L16 compound treatment 0.339 0.0909 3.38 0.331 0.082 3.75 5.0458 0.9986 1533648 TimTec1_002018 CC(NC(=O)CSc1nn(c2ccccc2)c(=S)s1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L17 compound treatment 0.33 0.0819 3.05 0.32 0.071 3.25 4.4529 0.9995 3082358 TimTec1_002019 Oc1ccc(/C=C\2/NC(=S)Nc3[nH]\c(=N\c4ccccc4)\sc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L18 compound treatment 0.274 0.0259 0.96 0.276 0.027 1.24 1.5555 0.9924 3209634 TimTec1_002020 CN1C(=O)C2C=CC=CC2N=C1SCc3ccccc3F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L19 compound treatment 0.258 0.00991 0.37 0.258 0.009 0.41 0.5519 0.9984 3082359 TimTec1_002021 CN(C)c1ccc(cc1)n2c(C)cc(/C=N/c3ccc(O)c(c3)C(=O)O)c2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L20 compound treatment 0.261 0.0129 0.48 0.262 0.013 0.6 0.7603 0.9943 3209635 TimTec1_002022 OC(=O)/C=C/C(=O)N1CCc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L21 compound treatment 0.254 0.00591 0.22 0.257 0.008 0.37 0.4144 0.9701 3082361 TimTec1_002023 Fc1ccc(/C=c\2/sc3=NCCn3c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L22 compound treatment 0.273 0.0249 0.93 0.269 0.02 0.92 1.3026 1.0 1356390 TimTec1_002024 Cc1ccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L23 mock treatment 0.254 0.00591 0.22 0.254 0.005 0.23 0.3172 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 L24 mock treatment 0.251 0.00291 0.11 0.256 0.007 0.32 0.3031 0.896 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M01 compound treatment 0.25 0.00191 0.07 0.25 0.001 0.05 0.0825 0.9776 1265733 TimTec1_002025 CCOC(=O)c1c(C)c(sc1N)C(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M02 compound treatment 0.307 0.0589 2.19 0.306 0.057 2.61 3.3947 0.9962 3209636 TimTec1_002026 Oc1ccc(/C=C/2\SC(=N)NC2=O)cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M03 compound treatment 0.25 0.00191 0.07 0.253 0.004 0.18 0.1796 0.9147 3082390 TimTec1_002027 Cc1ccc(NC(=O)OC(C)(C)C)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M04 compound treatment 0.248 -9.38E-5 0.0 0.247 -0.002 -0.09 -0.0672 -0.7335 3209637 TimTec1_002028 COc1ccc(CC(=O)N2N=C(C)CC2(O)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M05 compound treatment 0.376 0.128 4.76 0.387 0.138 6.32 7.832 0.9902 3082392 TimTec1_002029 CC(=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c3ccccc3)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M06 compound treatment 0.256 0.00791 0.29 0.26 0.011 0.5 0.5641 0.9672 3209638 TimTec1_002030 CN(C)C(=O)CSc1nnc(o1)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M07 compound treatment 0.246 -0.00209 -0.08 0.242 -0.007 -0.32 -0.2817 -0.8541 1286462 TimTec1_002031 CN1C2N=CN(CCCO)C2C(=O)N(C)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M08 compound treatment 0.268 0.0199 0.74 0.262 0.013 0.6 0.9444 0.9941 1699709 TimTec1_002032 COc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3C)c(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M09 compound treatment 0.239 -0.00909 -0.34 0.251 0.002 0.09 -0.1744 -0.4977 1409515 TimTec1_002033 CC(=O)Oc1ccn(C)c(=O)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M10 compound treatment 0.258 0.00991 0.37 0.239 -0.01 -0.46 -0.0632 -0.1076 1211785 TimTec1_002034 CC1(C)Oc2ccc(NC(=O)C3(CCCC3)c4ccccc4)cc2O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M11 compound treatment 0.25 0.00191 0.07 0.239 -0.01 -0.46 -0.2736 -0.5906 1344646 TimTec1_002035 Cc1occc1C(=O)Nc2ccc(F)c(F)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M12 compound treatment 0.326 0.0779 2.9 0.305 0.056 2.56 3.8621 0.9981 1915457 TimTec1_002036 O=c1[nH]nc(SCc2ccccc2)c(=S)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M13 compound treatment 0.242 -0.00609 -0.23 0.254 0.005 0.23 0.0016 0.005 1068232 TimTec1_002037 COC(=O)Nc1c(C)cc(C)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M14 compound treatment 0.251 0.00291 0.11 0.253 0.004 0.18 0.2059 0.9684 1147050 TimTec1_002038 Clc1ccc(OCc2ccc(o2)C(=O)NC3CCOC3=O)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M15 compound treatment 0.289 0.0409 1.52 0.296 0.047 2.15 2.5976 0.9856 1216899 TimTec1_002039 Clc1ccccc1C(=O)c2cc(Br)ccc2NC(=O)CSC3=NCCS3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M16 compound treatment 0.256 0.00791 0.29 0.261 0.012 0.55 0.5965 0.9571 1413128 TimTec1_002040 CCCc1ccc(OCc2ccc(o2)C(=O)NCc3cccnc3)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M17 compound treatment 0.256 0.00791 0.29 0.256 0.007 0.32 0.4346 0.9991 3082399 TimTec1_002041 CC(=O)OCC(=O)Nc1ccccc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M18 compound treatment 0.243 -0.00509 -0.19 0.245 -0.004 -0.18 -0.2635 -0.9999 1538207 TimTec1_002042 O=C(COC(=O)c1c2CCCCc2nc3ccccc13)Nc4nc5ccccc5s4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M19 compound treatment 0.258 0.00991 0.37 0.254 0.005 0.23 0.4224 0.9738 1322184 TimTec1_002043 CCOc1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M20 compound treatment 0.259 0.0109 0.41 0.254 0.005 0.23 0.4487 0.9633 3209758 TimTec1_002044 CN(Cc1cccs1)C(=S)SCCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M21 compound treatment 0.249 9.06E-4 0.03 0.249 0.0 0.0 0.0238 0.7071 1690142 TimTec1_002045 CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M22 compound treatment 0.252 0.00391 0.15 0.255 0.006 0.27 0.297 0.9557 3082402 TimTec1_002046 CC(=O)OCC(=O)Nc1cccc(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M23 mock treatment 0.241 -0.00709 -0.26 0.246 -0.003 -0.14 -0.2837 -0.9537 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 M24 mock treatment 0.249 9.06E-4 0.03 0.252 0.003 0.14 0.121 0.8553 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N01 compound treatment 0.328 0.0799 2.97 0.333 0.084 3.85 4.8212 0.9919 3209759 TimTec1_002047 Nc1nc(cc(=S)s1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N02 compound treatment 0.246 -0.00209 -0.08 0.234 -0.015 -0.69 -0.5407 -0.7823 1028245 TimTec1_002048 Clc1ccc(SC(=O)c2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N03 compound treatment 0.249 9.06E-4 0.03 0.254 0.005 0.23 0.1857 0.8026 1713032 TimTec1_002049 COC(=O)c1ccccc1NC(=O)Cc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N04 compound treatment 0.235 -0.0131 -0.49 0.236 -0.013 -0.6 -0.7653 -0.995 3083578 TimTec1_002050 Brc1ccc(cc1)C(C#N)C(CC#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N05 compound treatment 0.25 0.00191 0.07 0.238 -0.011 -0.5 -0.306 -0.6016 3209760 TimTec1_002051 OC(=O)/C=C/C(=O)N1CCN(CC1)C(=O)\C=C\C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N06 compound treatment 0.275 0.0269 1.0 0.276 0.027 1.24 1.5818 0.9945 3209761 TimTec1_002052 CCc1ccc(/C=C/2\CN(C)C/C(=C\c3ccc(CC)cc3)/C2O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N07 compound treatment 0.303 0.0549 2.04 0.298 0.049 2.24 3.0305 0.9989 1389451 TimTec1_002053 Nc1ccc2c(c1)nc(c3ccccc3)c4cc(N)ccc42 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N08 compound treatment 0.346 0.0979 3.64 0.351 0.102 4.67 5.8774 0.9924 3209762 TimTec1_002054 Fc1ccc(cc1)N2C(=O)NC(=O)/C(=C\Nc3ccccc3)/C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N09 compound treatment 0.239 -0.00909 -0.34 0.239 -0.01 -0.46 -0.5629 -0.9889 1139527 TimTec1_002055 OC(=O)c1ccc(cc1)N2Cc3ccc(Br)cc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N10 compound treatment 0.246 -0.00209 -0.08 0.247 -0.002 -0.09 -0.1198 -0.9967 1168036 TimTec1_002056 Cn1c(=S)n(CN2CCC3(CC2)OCCO3)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N11 compound treatment 0.248 -9.38E-5 0.0 0.249 0.0 0.0 -0.0025 -0.7071 1535531 TimTec1_002057 COC1CC2C(C(OC2=O)C(=O)O)C(OC)C1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N12 compound treatment 0.246 -0.00209 -0.08 0.251 0.002 0.09 0.0097 0.0806 1408618 TimTec1_002058 CCS(=O)(=O)N(CC(=O)O)c1ccc(OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N13 compound treatment 0.258 0.00991 0.37 0.25 0.001 0.05 0.2929 0.7889 1306524 TimTec1_002059 CCOC(=O)CSC1C(=O)Nc2ccccc2N=C1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N14 compound treatment 0.28 0.0319 1.19 0.271 0.022 1.01 1.5514 0.9967 1728948 TimTec1_002060 CCOC(=O)NC1c2ccccc2Sc3ccc(Cl)cc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N15 compound treatment 0.242 -0.00609 -0.23 0.251 0.002 0.09 -0.0955 -0.3907 1597862 TimTec1_002061 Oc1ccc(=O)n(CNc2nccs2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N16 compound treatment 0.239 -0.00909 -0.34 0.255 0.006 0.27 -0.0449 -0.1031 3209763 TimTec1_002062 COc1ccc(cc1)c2n[nH]c(SCC(=O)N(C3CCCCC3)C4CCCCC4)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N17 compound treatment 0.295 0.0469 1.74 0.3 0.051 2.34 2.8849 0.9897 3209764 TimTec1_002063 Cc1ccc(cc1)C2=CC(SC(=N)N2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N18 compound treatment 0.246 -0.00209 -0.08 0.244 -0.005 -0.23 -0.2169 -0.8972 3083579 TimTec1_002064 Fc1ccc(CSc2ccccc2C(=O)NCc3ccco3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N19 compound treatment 0.3 0.0519 1.93 0.259 0.01 0.46 1.6889 0.8512 3209765 TimTec1_002065 NC1=Nn2c(nnc2SC3(C1C#N)C(=O)Nc4ccccc43)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N20 compound treatment 0.246 -0.00209 -0.08 0.244 -0.005 -0.23 -0.2169 -0.8972 1495217 TimTec1_002066 CC(=C)CC1NC2CC(C)(C)C1c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N21 compound treatment 0.253 0.00491 0.18 0.252 0.003 0.14 0.2262 0.9902 1163918 TimTec1_002067 COc1ccc(c(O)c1)c2nc(N)ncc2c3cscn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N22 compound treatment 0.242 -0.00609 -0.23 0.244 -0.005 -0.23 -0.3222 -1.0 1657100 TimTec1_002068 CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N23 mock treatment 0.249 9.06E-4 0.03 0.248 -0.001 -0.05 -0.0085 -0.1502 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 N24 mock treatment 0.249 9.06E-4 0.03 0.249 0.0 0.0 0.0238 0.7071 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O01 compound treatment 0.248 -9.38E-5 0.0 0.251 0.002 0.09 0.0623 0.6797 3083580 TimTec1_002069 OC(=O)[C@@H]1CSC(N1)c2coc3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O02 compound treatment 0.248 -9.38E-5 0.0 0.247 -0.002 -0.09 -0.0672 -0.7335 3209766 TimTec1_002070 Cc1ccc(cc1)/C(=N\C#N)/NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O03 compound treatment 0.229 -0.0191 -0.71 0.223 -0.026 -1.19 -1.344 -0.9695 3083581 TimTec1_002071 CCOC(=O)Nc1ccc(C)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O04 compound treatment 0.249 9.06E-4 0.03 0.248 -0.001 -0.05 -0.0085 -0.1502 3209767 TimTec1_002072 O=C(NCc1ccccc1)/C=C/c2ccc(C#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O05 compound treatment 0.261 0.0129 0.48 0.256 0.007 0.32 0.5661 0.9807 1190059 TimTec1_002073 CNC1C2CN3CCC(O2)C13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O06 compound treatment 0.251 0.00291 0.11 0.255 0.006 0.27 0.2707 0.9169 1479488 TimTec1_002074 Cn1c(Sc2cnn(c3ccccc3)c(=O)c2Br)nnc1c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O07 compound treatment 0.247 -0.00109 -0.04 0.247 -0.002 -0.09 -0.0935 -0.9333 3487465 TimTec1_002075 OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O08 compound treatment 0.253 0.00491 0.18 0.251 0.002 0.09 0.1938 0.9491 3083582 TimTec1_002076 CN(C)C(=O)CSc1nnc(c2cccc(F)c2)n1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O09 compound treatment 0.251 0.00291 0.11 0.251 0.002 0.09 0.1412 0.9966 1278782 TimTec1_002077 COc1ccc2c3CCN4CC5C(C)OC=C(OC(=O)C)[C@H]5C[C@H]4c3[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O10 compound treatment 0.252 0.00391 0.15 0.25 0.001 0.05 0.1351 0.8869 3083583 TimTec1_002078 O=C(ON1C(=O)CCC1=O)/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O11 compound treatment 0.294 0.0459 1.71 0.28 0.031 1.42 2.211 0.9958 1523507 TimTec1_002079 NC(=O)c1sc2nc(ccc2c1N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O12 compound treatment 0.241 -0.00709 -0.26 0.241 -0.008 -0.37 -0.4456 -0.987 3083584 TimTec1_002080 CCOC(=O)c1cnc2cccc[n+]2c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O13 compound treatment 0.248 -9.38E-5 0.0 0.257 0.008 0.37 0.2565 0.7003 1224089 TimTec1_002081 O=C(Nc1cccc(NC(=O)C2CC2)c1)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O14 compound treatment 0.247 -0.00109 -0.04 0.239 -0.01 -0.46 -0.3525 -0.7669 3083585 TimTec1_002082 Fc1c(F)c(F)c(OCc2ccc(o2)C(=O)N3CCOCC3)c(F)c1F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O15 compound treatment 0.244 -0.00409 -0.15 0.242 -0.007 -0.32 -0.3343 -0.9421 1612278 TimTec1_002083 CC(=O)Nc1nonc1NC(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O16 compound treatment 0.251 0.00291 0.11 0.258 0.009 0.41 0.3678 0.8634 1443254 TimTec1_002084 Clc1ccc(OCc2ccc(o2)C(=O)NCc3cccc(Cl)c3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O17 compound treatment 0.247 -0.00109 -0.04 0.255 0.006 0.27 0.1655 0.5959 1195533 TimTec1_002085 CC(=O)OCC(=O)Nc1ccccc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O18 compound treatment 0.252 0.00391 0.15 0.254 0.005 0.23 0.2646 0.9759 1402999 TimTec1_002086 Cc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O19 compound treatment 0.245 -0.00309 -0.12 0.24 -0.009 -0.41 -0.3728 -0.8712 1194370 TimTec1_002087 C=CCON1C(N(CC1=O)C(=O)Nc2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O20 compound treatment 0.255 0.00691 0.26 0.255 0.006 0.27 0.3759 0.9994 3209769 TimTec1_002088 COc1ccc(Sc2cccs2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O21 compound treatment 0.251 0.00291 0.11 0.251 0.002 0.09 0.1412 0.9966 3209770 TimTec1_002089 COc1ccc(CC(C)(N)C(=O)O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O22 compound treatment 0.252 0.00391 0.15 0.248 -0.001 -0.05 0.0704 0.4619 3083586 TimTec1_002090 C=CCNC(=S)C(=O)Nc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O23 mock treatment 0.25 0.00191 0.07 0.248 -0.001 -0.05 0.0178 0.2104 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 O24 mock treatment 0.247 -0.00109 -0.04 0.25 0.001 0.05 0.0036 0.0589 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P01 compound treatment 0.233 -0.0151 -0.56 0.252 0.003 0.14 -0.2998 -0.5188 3083588 TimTec1_002091 Fc1ccc(SCSc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P02 compound treatment 0.255 0.00691 0.26 0.265 0.016 0.73 0.6997 0.9012 3209771 TimTec1_002092 COc1cc(cc(OC)c1OC)C(=O)Sc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P03 compound treatment 0.253 0.00491 0.18 0.257 0.008 0.37 0.388 0.9482 1455929 TimTec1_002093 Clc1ccc(OCC(=O)N2CCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P04 compound treatment 0.25 0.00191 0.07 0.248 -0.001 -0.05 0.0178 0.2104 3209887 TimTec1_002094 Cc1ccccc1C(C#N)C(CC#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P05 compound treatment 0.254 0.00591 0.22 0.254 0.005 0.23 0.3172 0.9998 3209888 TimTec1_002095 NS(=O)(=O)c1ccc(/N=C/c2ccc(C#N)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P06 compound treatment 0.25 0.00191 0.07 0.252 0.003 0.14 0.1473 0.9527 1275062 TimTec1_002096 OC(=O)C1(CC2CC3C1)CC(C2)(C3)n4cnc(Cl)n4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P07 compound treatment 0.246 -0.00209 -0.08 0.252 0.003 0.14 0.0421 0.2664 3209889 TimTec1_002097 C/C(=N\n1c(n[nH]c1=O)c2ccccc2)/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P08 compound treatment 0.258 0.00991 0.37 0.255 0.006 0.27 0.4548 0.9895 3209890 TimTec1_002098 CC(=O)N1c2ccccc2CCc3ccc(NC(=S)NC(=O)/C=C/c4ccccc4)cc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P09 compound treatment 0.255 0.00691 0.26 0.253 0.004 0.18 0.3111 0.9863 1360532 TimTec1_002099 O=C(C1CCCNC1=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P10 compound treatment 0.244 -0.00409 -0.15 0.244 -0.005 -0.23 -0.2696 -0.9804 3083595 TimTec1_002100 Cc1nnc(SCc2c(C)cc(C)cc2C)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P11 compound treatment 0.254 0.00591 0.22 0.253 0.004 0.18 0.2848 0.9959 1439208 TimTec1_002101 CC(C)C1C(O)C(=O)C2C3CCCC(C)(C)C3CC(OC(=O)C)C2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P12 compound treatment 0.254 0.00591 0.22 0.253 0.004 0.18 0.2848 0.9959 1739919 TimTec1_002102 COc1ccc(NC(=O)Nc2ccc(cc2)N3CCCC3=O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P13 compound treatment 0.253 0.00491 0.18 0.252 0.003 0.14 0.2262 0.9902 3209891 TimTec1_002103 C/C(=N/c1ccc(cc1)S(=O)(=O)N2CCOCC2)/Nc3ccc(C(=O)O)c(O)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P14 compound treatment 0.262 0.0139 0.52 0.254 0.005 0.23 0.5276 0.9328 3083596 TimTec1_002104 FC(F)(F)c1cc(NCCC(=O)c2ccccc2)ccc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P15 compound treatment 0.244 -0.00409 -0.15 0.255 0.006 0.27 0.0866 0.2757 1614491 TimTec1_002105 Oc1nn(CNc2ccc(F)cc2)c(=O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P16 compound treatment 0.256 0.00791 0.29 0.257 0.008 0.37 0.467 0.9941 3209892 TimTec1_002106 CC(C)CC1C(=NN(C(=S)c2ccc(C)cc2)C1(C)O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P17 compound treatment 0.246 -0.00209 -0.08 0.242 -0.007 -0.32 -0.2817 -0.8541 3209893 TimTec1_002107 OC(=O)c1ccccc1C2SCC(=O)N2NC(=S)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P18 compound treatment 0.231 -0.0171 -0.64 0.244 -0.005 -0.23 -0.6115 -0.9048 1488668 TimTec1_002108 CC(C)(C)NC(=O)c1ccccc1SCc2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P19 compound treatment 0.242 -0.00609 -0.23 0.243 -0.006 -0.27 -0.3545 -0.9954 3209894 TimTec1_002109 CCOC(=O)C1=C(Sc2nnc(n2N=C1N)C(F)(F)F)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P20 compound treatment 0.262 0.0139 0.52 0.261 0.012 0.55 0.7543 0.9995 1730773 TimTec1_002110 CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P21 compound treatment 0.249 9.06E-4 0.03 0.247 -0.002 -0.09 -0.0409 -0.4193 1494523 TimTec1_002111 COc1cc(cc(OC)c1OC)C(=O)n2c(SCc3ccc(F)cc3)nc4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P22 compound treatment 0.258 0.00991 0.37 0.254 0.005 0.23 0.4224 0.9738 3209895 TimTec1_002112 COC(=O)c1c(NC(=O)Nc2ccccc2)sc3CCCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P23 mock treatment 0.245 -0.00309 -0.12 0.245 -0.004 -0.18 -0.2109 -0.9749 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2068 P24 mock treatment 0.247 -0.00109 -0.04 0.246 -0.003 -0.14 -0.1259 -0.8788 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A01 compound treatment 0.189 -0.0577 -2.14 0.181 -0.0663 -3.04 -3.6629 -0.9855 1161050 TimTec1_002113 COc1cccc(c1)C2C(=C(N)Oc3[nH]c(=O)[nH]c(=O)c23)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A02 compound treatment 0.264 0.0173 0.64 0.272 0.0247 1.13 1.2559 0.9644 3083648 TimTec1_002114 COc1ccccc1NC(=O)c2cccc(c2)N3C(=O)C4CC=CCC4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A03 compound treatment 0.25 0.00333 0.12 0.254 0.00671 0.31 0.3049 0.9204 3209896 TimTec1_002115 COC(=O)c1ccc(NC(=S)N(C(C)C)C(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A04 compound treatment 0.243 -0.00367 -0.14 0.238 -0.00929 -0.43 -0.3972 -0.8892 3083650 TimTec1_002116 Fc1ccccc1OC(=O)CCCC(=O)n2nnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A05 compound treatment 0.228 -0.0187 -0.69 0.227 -0.0203 -0.93 -1.1479 -0.9897 3209897 TimTec1_002117 C(Nc1ccc(NCc2cccs2)cc1)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A06 compound treatment 0.238 -0.00867 -0.32 0.225 -0.0223 -1.02 -0.9496 -0.8872 3083652 TimTec1_002118 CCN(CC)C(=S)NC1CCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A07 compound treatment 0.274 0.0273 1.02 0.28 0.0327 1.5 1.7779 0.9822 3209898 TimTec1_002119 Cn1c(=O)c(C/2=NNC(=O)\C2=C/C=C/c3ccccc3)c(O)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A08 compound treatment 0.239 -0.00767 -0.29 0.238 -0.00929 -0.43 -0.5024 -0.9811 1389733 TimTec1_002120 OC1(CCCCC1)c2cc(=N)sc3nc4ccccc4n23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A09 compound treatment 0.251 0.00433 0.16 0.249 0.00171 0.08 0.1693 0.945 3209899 TimTec1_002121 Cn1c(SCc2ccccc2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A10 compound treatment 0.242 -0.00467 -0.17 0.24 -0.00729 -0.33 -0.3588 -0.9536 3209900 TimTec1_002122 CN1C(=O)C(=Cc2ccc(o2)c3cccc(Cl)c3)C(=O)N(C)C1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A11 compound treatment 0.244 -0.00267 -0.1 0.239 -0.00829 -0.38 -0.3385 -0.8629 3083655 TimTec1_002123 CC(Sc1nnnn1c2ccccc2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A12 compound treatment 0.296 0.0493 1.83 0.293 0.0457 2.09 2.7774 0.9979 1256717 TimTec1_002124 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCc3ccccc23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A13 compound treatment 0.239 -0.00767 -0.29 0.237 -0.0103 -0.47 -0.5348 -0.9711 3083658 TimTec1_002125 CCn1c(ccc1c2ccccc2)C(O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A14 compound treatment 0.363 0.116 4.33 0.331 0.0837 3.83 5.7699 0.9982 3209901 TimTec1_002126 CN1/C(=C/C(=S)C(C)(C)C)/Sc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A15 compound treatment 0.234 -0.0127 -0.47 0.23 -0.0173 -0.79 -0.8929 -0.9693 1429079 TimTec1_002127 O=C(CC1CCC1)Nc2ccc(Oc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A16 compound treatment 0.231 -0.0157 -0.58 0.236 -0.0113 -0.52 -0.7776 -0.9982 1196328 TimTec1_002128 CC(C)CN(CC(C)C)CN1C(=O)c2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A17 compound treatment 0.264 0.0173 0.64 0.256 0.00871 0.4 0.7379 0.9733 3083661 TimTec1_002129 Clc1ccc(CSc2n[nH]c(=O)[nH]c2=O)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A18 compound treatment 0.23 -0.0167 -0.62 0.235 -0.0123 -0.56 -0.8363 -0.9988 1702303 TimTec1_002130 COC(=O)C1CCc2sc(N)c(C(=O)OC)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A19 compound treatment 0.269 0.0223 0.83 0.262 0.0147 0.67 1.0636 0.9946 1553773 TimTec1_002131 Oc1ccccc1CNc2ccc(cc2)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A20 compound treatment 0.235 -0.0117 -0.43 0.208 -0.0393 -1.8 -1.5789 -0.8532 3083664 TimTec1_002132 CC1CCCCC1NC(=O)c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A21 compound treatment 0.285 0.0383 1.43 0.268 0.0207 0.95 1.6787 0.9804 1072652 TimTec1_002133 O=C(Nc1sc2CCCCc2c1C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A22 compound treatment 0.232 -0.0147 -0.55 0.241 -0.00629 -0.29 -0.5894 -0.9554 1225174 TimTec1_002134 Clc1ccccc1NC(=O)N(C(CC(=O)C2CC2)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A23 mock treatment 0.209 -0.0377 -1.4 0.248 7.1E-4 0.03 -0.9677 -0.6905 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 A24 mock treatment 0.217 -0.0297 -1.1 0.184 -0.0633 -2.9 -2.8294 -0.9124 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B01 compound treatment 0.261 0.0143 0.53 0.267 0.0197 0.9 1.0151 0.9685 3209902 TimTec1_002135 CCC(C)NC(=O)Nc1ccc(Br)cc1F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B02 mock treatment 0.25 0.00333 0.12 0.25 0.00271 0.12 0.1754 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B03 compound treatment 0.257 0.0103 0.38 0.258 0.0107 0.49 0.6185 0.9927 3209903 TimTec1_002137 Cc1ccc(CCNC(=O)NC(C)(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B04 compound treatment 0.255 0.00833 0.31 0.258 0.0107 0.49 0.5659 0.9755 1539581 TimTec1_002138 O=P(Cc1ccccc1)(N(CC2CCCO2)Cc3cccs3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B05 compound treatment 0.286 0.0393 1.46 0.292 0.0447 2.05 2.482 0.9864 3083710 TimTec1_002139 Clc1ccc(NC(=O)c2ccc(CSc3ncccn3)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B06 compound treatment 0.256 0.00933 0.35 0.258 0.0107 0.49 0.5922 0.9857 3209904 TimTec1_002140 O=C1OC2(CCCCC2)C(=C1)NCCOC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B07 compound treatment 0.27 0.0233 0.87 0.269 0.0217 0.99 1.3166 0.9977 3083712 TimTec1_002141 CCOC(=O)c1cc(Br)ccc1OCc2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B08 compound treatment 0.266 0.0193 0.72 0.263 0.0157 0.72 1.0171 1.0 1534717 TimTec1_002142 Nc1nnnn1CC(=O)OCC(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B09 compound treatment 0.258 0.0113 0.42 0.257 0.00971 0.44 0.6124 0.9996 1230328 TimTec1_002143 NNC(=O)c1nnn(c1CN2CCCCC2)c3nonc3N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B10 compound treatment 0.287 0.0403 1.5 0.298 0.0507 2.32 2.7026 0.9777 3209905 TimTec1_002144 CCN(CC)C(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B11 compound treatment 0.258 0.0113 0.42 0.257 0.00971 0.44 0.6124 0.9996 1502579 TimTec1_002145 CCC(=O)Nc1cccc(c1)c2nc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B12 compound treatment 0.258 0.0113 0.42 0.26 0.0127 0.58 0.7096 0.9875 3209906 TimTec1_002146 Cc1ccc2[nH]c(=O)c(/C=N/C(CO)(CO)CO)c(O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B13 compound treatment 0.264 0.0173 0.64 0.266 0.0187 0.86 1.0616 0.9902 1455910 TimTec1_002147 O=C(CCc1ccccc1)Nc2ccc(cc2)c3nc4ccccc4o3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B14 compound treatment 0.324 0.0773 2.88 0.319 0.0717 3.28 4.3556 0.9978 3083716 TimTec1_002148 CC(NC(=S)NC(=O)c1cccs1)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B15 compound treatment 0.292 0.0453 1.69 0.289 0.0417 1.91 2.5427 0.9981 1725795 TimTec1_002149 CC(C)(C)c1ccccc1OCC(=O)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B16 compound treatment 0.26 0.0133 0.5 0.257 0.00971 0.44 0.665 0.9985 3210019 TimTec1_002150 CCC1CC(CNC=C2C(=O)CC(C)(C)CC2=O)C1(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B17 compound treatment 0.264 0.0173 0.64 0.265 0.0177 0.81 1.0293 0.9935 1148431 TimTec1_002151 CC1CN(CC(C)O1)C(=O)c2cccc(c2)C(=O)N3CC(C)OC(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B18 compound treatment 0.253 0.00633 0.24 0.253 0.00571 0.26 0.3514 0.9986 3210020 TimTec1_002152 COc1ccc(CCC(=O)Nc2cccc(C)n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B19 compound treatment 0.257 0.0103 0.38 0.256 0.00871 0.4 0.5538 0.9998 1183356 TimTec1_002153 COC(=O)C(c1ccccc1)C2(O)CC(C)N(C)CC2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B20 compound treatment 0.248 0.00133 0.05 0.263 0.0157 0.72 0.5437 0.7541 3083720 TimTec1_002154 Cc1cc(O)ccc1Sc2ccc(O)cc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B21 compound treatment 0.259 0.0123 0.46 0.256 0.00871 0.4 0.6064 0.9976 3210021 TimTec1_002155 CC(C)C1N2C(=S)NC(C)(C)CC2(C)OC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B22 compound treatment 0.251 0.00433 0.16 0.25 0.00271 0.12 0.2017 0.9916 1240094 TimTec1_002156 COc1ccccc1C(=O)Nc2ccc(CC#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B23 mock treatment 0.252 0.00533 0.2 0.254 0.00671 0.31 0.3575 0.9776 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 B24 mock treatment 0.234 -0.0127 -0.47 0.239 -0.00829 -0.38 -0.6016 -0.9943 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C01 compound treatment 0.234 -0.0127 -0.47 0.228 -0.0193 -0.88 -0.9577 -0.9567 3210022 TimTec1_002157 OCCNC(=O)c1cccc(c1)C(=O)NCCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C02 compound treatment 0.242 -0.00467 -0.17 0.243 -0.00429 -0.2 -0.2616 -0.9981 3210023 TimTec1_002158 Cn1nccc1Nc2ccc(OC(=O)c3ccnn3C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C03 compound treatment 0.23 -0.0167 -0.62 0.233 -0.0143 -0.65 -0.901 -0.9996 3083722 TimTec1_002159 COC(=O)c1ccc(NC(=S)N(CC(C)C)CC(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C04 compound treatment 0.252 0.00533 0.2 0.259 0.0117 0.54 0.5194 0.9085 3210024 TimTec1_002160 Cc1ccc(OC(=O)c2ccccc2)c(c1)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C05 compound treatment 0.246 -6.67E-4 -0.02 0.247 -2.9E-4 -0.01 -0.0269 -0.9573 3083724 TimTec1_002161 OC(=O)CC(Sc1cccs1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C06 compound treatment 0.253 0.00633 0.24 0.253 0.00571 0.26 0.3514 0.9986 1038092 TimTec1_002162 Cc1ccc(O)c(c1)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C07 compound treatment 0.25 0.00333 0.12 0.25 0.00271 0.12 0.1754 1.0 1602769 TimTec1_002163 Cc1ccc(cc1)c2nn(C3OC(CO)C(O)C3O)c(=S)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C08 compound treatment 0.275 0.0283 1.05 0.278 0.0307 1.41 1.7395 0.9899 1372480 TimTec1_002164 OC1CC(N(C1)C(=O)Oc2ccccc2)C(=O)OCC(=O)c3ccc(cc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C09 compound treatment 0.246 -6.67E-4 -0.02 0.246 -0.00129 -0.06 -0.0593 -0.9257 3083763 TimTec1_002165 Clc1ccc(cc1Cl)N2NC(=O)/C(=C/C=C/c3ccccc3)/C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C10 compound treatment 0.248 0.00133 0.05 0.245 -0.00229 -0.1 -0.0391 -0.3369 3083765 TimTec1_002166 CC1(C)CC(=O)C/C(=N\c2ccc3[nH]c(=O)[nH]c3c2)/C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C11 compound treatment 0.245 -0.00167 -0.06 0.245 -0.00229 -0.1 -0.118 -0.9685 3210025 TimTec1_002167 CNC(=O)c1cccc(NC(=S)NC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C12 compound treatment 0.259 0.0123 0.46 0.254 0.00671 0.31 0.5416 0.981 3210026 TimTec1_002168 Clc1ccccc1C(=O)Oc2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C13 compound treatment 0.245 -0.00167 -0.06 0.244 -0.00329 -0.15 -0.1504 -0.923 1014674 TimTec1_002169 OC(=O)c1ccc([nH]1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C14 compound treatment 0.334 0.0873 3.25 0.247 -2.9E-4 -0.01 2.2875 0.7042 1322060 TimTec1_002170 COc1ccccc1C(=O)Nc2ccc(C)cc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C15 compound treatment 0.352 0.105 3.92 0.327 0.0797 3.65 5.3511 0.9994 3083771 TimTec1_002171 COC(=O)c1ccccc1/N=C/C=C(/O)\c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C16 compound treatment 0.252 0.00533 0.2 0.253 0.00571 0.26 0.3251 0.9907 1430542 TimTec1_002172 CC(C)c1ccccc1NC(=O)c2cc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C17 compound treatment 0.255 0.00833 0.31 0.254 0.00671 0.31 0.4364 1.0 1190438 TimTec1_002173 OC(=O)c1ccc(CNC(=O)c2cocc2C(=O)O)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C18 compound treatment 0.287 0.0403 1.5 0.285 0.0377 1.73 2.2817 0.9975 1645535 TimTec1_002174 Cc1ccccc1NC(=O)Nc2ccc(OCc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C19 compound treatment 0.264 0.0173 0.64 0.264 0.0167 0.77 0.9969 0.9964 3210027 TimTec1_002175 Clc1ccc(cc1)C2CC(=NN2c3ccccc3)C4CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C20 compound treatment 0.276 0.0293 1.09 0.274 0.0267 1.22 1.6363 0.9984 1618185 TimTec1_002176 Cc1ccc(cc1)c2ccc(OCC(=O)NC3CCCC3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C21 compound treatment 0.244 -0.00267 -0.1 0.246 -0.00129 -0.06 -0.1119 -0.9694 1272849 TimTec1_002177 OC(=O)CCc1nc2ccccc2nc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C22 compound treatment 0.247 3.33E-4 0.01 0.248 7.1E-4 0.03 0.0317 0.9127 3210028 TimTec1_002178 C(Oc1ccc(/C=N/n2nnnc2Nc3ccccc3)cc1)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C23 mock treatment 0.241 -0.00567 -0.21 0.241 -0.00629 -0.29 -0.3527 -0.9882 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 C24 mock treatment 0.232 -0.0147 -0.55 0.223 -0.0243 -1.11 -1.1722 -0.9462 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D01 compound treatment 0.257 0.0103 0.38 0.256 0.00871 0.4 0.5538 0.9998 1308579 TimTec1_002179 COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D02 compound treatment 0.253 0.00633 0.24 0.254 0.00671 0.31 0.3838 0.9914 3083776 TimTec1_002180 CCSc1nnc(C)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D03 compound treatment 0.258 0.0113 0.42 0.26 0.0127 0.58 0.7096 0.9875 3210029 TimTec1_002181 Fc1ccccc1NC(=O)CCCCc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D04 compound treatment 0.262 0.0153 0.57 0.263 0.0157 0.72 0.9119 0.9934 1325980 TimTec1_002182 CN1CCN(CC1)C(=S)NC(CC(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D05 compound treatment 0.306 0.0593 2.21 0.301 0.0537 2.46 3.2994 0.9985 3083779 TimTec1_002183 O=C(CSC1=NCCS1)NC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D06 compound treatment 0.248 0.00133 0.05 0.249 0.00171 0.08 0.0904 0.9757 1681619 TimTec1_002184 CC1(C)CC(CC(C)(C)N1)NC(=O)c2ccc(cc2)n3cnnn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D07 compound treatment 0.256 0.00933 0.35 0.257 0.00971 0.44 0.5598 0.9925 3083781 TimTec1_002185 COC(=O)c1ccc(CSc2nccn2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D08 compound treatment 0.261 0.0143 0.53 0.261 0.0137 0.63 0.8208 0.9967 1532072 TimTec1_002186 CCN(CC)CCN1C(=O)Cn2c(C)c(C)c3cccc1c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D09 compound treatment 0.256 0.00933 0.35 0.251 0.00371 0.17 0.3656 0.9459 3083783 TimTec1_002187 Clc1ccc(/C=C/C(=O)NCC2CCCO2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D10 compound treatment 0.254 0.00733 0.27 0.25 0.00271 0.12 0.2806 0.9364 1189768 TimTec1_002188 CCCc1cc(O)nc(SCC(=O)NCC2(CC3CC4CC(C3)C2)C4)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D11 compound treatment 0.259 0.0123 0.46 0.259 0.0117 0.54 0.7035 0.997 1607604 TimTec1_002189 CCC(=O)Nc1cc2ccccc2cc1NC(=O)CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D12 compound treatment 0.256 0.00933 0.35 0.255 0.00771 0.35 0.4951 1.0 1415304 TimTec1_002190 O=C(CC(C1C(=O)NC(=S)NC1=O)c2ccccc2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D13 compound treatment 0.257 0.0103 0.38 0.256 0.00871 0.4 0.5538 0.9998 3083786 TimTec1_002191 Cn1c(SCC(=O)NN)nnc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D14 compound treatment 0.254 0.00733 0.27 0.249 0.00171 0.08 0.2482 0.8747 1536582 TimTec1_002192 CC(=O)OC(OC(=O)C)C1(OC2C=C1)C3C2C(=O)N(C3=O)c4ccc(OC(=O)C)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D15 compound treatment 0.265 0.0183 0.68 0.263 0.0157 0.72 0.9908 0.9996 3083820 TimTec1_002193 FC(F)(F)Oc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D16 compound treatment 0.261 0.0143 0.53 0.263 0.0157 0.72 0.8856 0.9891 3210030 TimTec1_002194 COc1ccc(cc1)C(CC(=O)O)NC(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D17 compound treatment 0.265 0.0183 0.68 0.265 0.0177 0.81 1.0556 0.9963 1372790 TimTec1_002195 Cc1cccc(N2CCN(CC2)C(=O)CN3C(=O)c4ccccc4C3=O)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D18 compound treatment 0.289 0.0423 1.57 0.274 0.0267 1.22 1.9782 0.9922 3210031 TimTec1_002196 COc1ccc(Cl)c(c1)C(=O)OCC(=O)Nc2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D19 compound treatment 0.244 -0.00267 -0.1 0.244 -0.00329 -0.15 -0.1767 -0.9794 1594222 TimTec1_002197 CCC(=O)OC1(Cc2ccc(CC)cc2)CC(C)N(C)CC1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D20 compound treatment 0.246 -6.67E-4 -0.02 0.251 0.00371 0.17 0.1026 0.5975 3083824 TimTec1_002198 S=C(NC1CCCCC1)NN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D21 compound treatment 0.257 0.0103 0.38 0.257 0.00971 0.44 0.5861 0.9974 1669241 TimTec1_002199 CC1(O)N(CC(=O)O)C(=O)OC21CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D22 compound treatment 0.25 0.00333 0.12 0.252 0.00471 0.22 0.2402 0.9655 1421950 TimTec1_002200 Nc1ccc(CC(CCC(=O)O)C(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D23 mock treatment 0.255 0.00833 0.31 0.253 0.00571 0.26 0.404 0.9964 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 D24 mock treatment 0.248 0.00133 0.05 0.245 -0.00229 -0.1 -0.0391 -0.3369 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E01 compound treatment 0.238 -0.00867 -0.32 0.241 -0.00629 -0.29 -0.4316 -0.9984 1882539 TimTec1_002201 CCCNC(=O)c1ccccc1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E02 compound treatment 0.256 0.00933 0.35 0.256 0.00871 0.4 0.5275 0.9976 1476398 TimTec1_002202 Fc1ccccc1OC(=O)CCCC(=O)Nc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E03 compound treatment 0.256 0.00933 0.35 0.255 0.00771 0.35 0.4951 1.0 3083828 TimTec1_002203 COC(=O)c1ccc(NC(=O)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E04 compound treatment 0.267 0.0203 0.76 0.274 0.0267 1.22 1.3995 0.9733 3210032 TimTec1_002204 CC(C)(C)c1cc(Cl)cc(c1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E05 compound treatment 0.26 0.0133 0.5 0.259 0.0117 0.54 0.7298 0.9992 1345007 TimTec1_002205 COc1ccc(OC)c(c1)S(=O)(=O)c2c(OC)ccc(OC)c2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E06 compound treatment 0.258 0.0113 0.42 0.258 0.0107 0.49 0.6448 0.9972 1083599 TimTec1_002206 C1CCN(CC1)SN2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E07 compound treatment 0.261 0.0143 0.53 0.259 0.0117 0.54 0.7561 1.0 3083830 TimTec1_002207 Nc1nnc(CSc2cccc3cccnc23)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E08 compound treatment 0.265 0.0183 0.68 0.265 0.0177 0.81 1.0556 0.9963 1510605 TimTec1_002208 COC(=O)Nc1c(C)n(C)n(c2ccccc2)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E09 compound treatment 0.267 0.0203 0.76 0.268 0.0207 0.95 1.2053 0.9937 3210148 TimTec1_002209 Brc1cccc(c1)N2NC(=O)/C(=C/3\C(=O)Nc4ccccc34)/C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E10 compound treatment 0.253 0.00633 0.24 0.254 0.00671 0.31 0.3838 0.9914 1411763 TimTec1_002210 CCCc1cc(=O)nc(SCc2nc3ccccc3[nH]2)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E11 compound treatment 0.245 -0.00167 -0.06 0.245 -0.00229 -0.1 -0.118 -0.9685 3210149 TimTec1_002211 OCCN(CCO)CC(O)C1(CC2CC3CC(C2)C1)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E12 compound treatment 0.282 0.0353 1.31 0.255 0.00771 0.35 1.1789 0.8663 1920607 TimTec1_002212 CC(C)CN(CC(C)C)C(=O)Nc1ccccc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E13 compound treatment 0.251 0.00433 0.16 0.253 0.00571 0.26 0.2988 0.973 1527966 TimTec1_002213 Cc1cc(C)cc(OCc2ccc(o2)C(=O)NN)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E14 compound treatment 0.255 0.00833 0.31 0.254 0.00671 0.31 0.4364 1.0 1183896 TimTec1_002214 CN(Cc1c(C)nc2c(C)cc(C)cc2c1O)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E15 compound treatment 0.254 0.00733 0.27 0.257 0.00971 0.44 0.5072 0.9725 3083835 TimTec1_002215 CC1(C)CC(CC(C)(C)N1)/N=C/c2ccccc2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E16 compound treatment 0.259 0.0123 0.46 0.262 0.0147 0.67 0.8006 0.9825 1259208 TimTec1_002216 CC(C)CN(CC(C)C)C(=O)COc1ccc(cc1)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E17 compound treatment 0.262 0.0153 0.57 0.259 0.0117 0.54 0.7824 0.9995 1657881 TimTec1_002217 COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E18 compound treatment 0.33 0.0833 3.1 0.341 0.0937 4.29 5.2257 0.9873 1561850 TimTec1_002218 O=C(Nc1ccc(cc1)C(=O)OC2CCCCC2)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E19 compound treatment 0.435 0.188 7.01 0.437 0.19 8.69 11.0954 0.9943 3210150 TimTec1_002219 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)O)C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E20 compound treatment 0.271 0.0243 0.91 0.264 0.0167 0.77 1.181 0.9965 1395502 TimTec1_002220 O=C(CCc1ccccc1)Nc2ccc(cc2)C(=O)OC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E21 compound treatment 0.248 0.00133 0.05 0.25 0.00271 0.12 0.1228 0.9191 3210151 TimTec1_002221 OC(=O)CCCNc1ncnc2ccc(Br)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E22 compound treatment 0.25 0.00333 0.12 0.251 0.00371 0.17 0.2078 0.988 1511409 TimTec1_002222 O=C1NC(=O)C(CCc2ccncc2)(CCc3ccncc3)C(=O)N1Cc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E23 mock treatment 0.253 0.00633 0.24 0.253 0.00571 0.26 0.3514 0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 E24 mock treatment 0.25 0.00333 0.12 0.236 -0.0113 -0.52 -0.2779 -0.5227 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F01 compound treatment 0.275 0.0283 1.05 0.276 0.0287 1.31 1.6747 0.994 3083870 TimTec1_002223 Cc1ccc(NC(=O)Nc2ccc(cc2)C(C)(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F02 compound treatment 0.283 0.0363 1.35 0.29 0.0427 1.96 2.3384 0.9837 3210152 TimTec1_002224 NC(=O)c1sc2NC3=C(C(c2c1N)c4ccc(Cl)cc4)C(=O)c5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F03 compound treatment 0.372 0.125 4.66 0.379 0.132 6.03 7.5607 0.9919 3083874 TimTec1_002225 NC1=C(C#N)C(C(=C(N)O1)C#N)c2cc(Br)cs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F04 compound treatment 0.267 0.0203 0.76 0.275 0.0277 1.27 1.4319 0.9694 1118827 TimTec1_002226 CC(NC(=O)c1ccccc1OCC(=O)NC2(CC3CC4CC(C3)C2)C4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F05 compound treatment 0.263 0.0163 0.61 0.262 0.0147 0.67 0.9058 0.9987 3083876 TimTec1_002227 O=C(COc1ccccc1)N2CCNC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F06 compound treatment 0.26 0.0133 0.5 0.26 0.0127 0.58 0.7622 0.9968 1468407 TimTec1_002228 NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(c3ccco3)n2CC=C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F07 compound treatment 0.271 0.0243 0.91 0.271 0.0237 1.09 1.4076 0.9959 3083878 TimTec1_002229 COC(=O)c1ccc(COc2ccccc2Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F08 compound treatment 0.26 0.0133 0.5 0.26 0.0127 0.58 0.7622 0.9968 3210153 TimTec1_002230 Nc1cc(=O)[nH]c(=O)n1CC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F09 compound treatment 0.266 0.0193 0.72 0.265 0.0177 0.81 1.0819 0.9982 3083880 TimTec1_002231 O=C(NC1CCCCCC1)C2CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F10 compound treatment 0.265 0.0183 0.68 0.266 0.0187 0.86 1.0879 0.9936 1289043 TimTec1_002232 O=C(CSc1nc2ccccc2s1)NCCC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F11 compound treatment 0.283 0.0363 1.35 0.287 0.0397 1.82 2.2413 0.9893 1333172 TimTec1_002233 Brc1ccc(cc1)C(=O)Nc2cccc(c2)c3nc4ccccc4o3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F12 compound treatment 0.262 0.0153 0.57 0.26 0.0127 0.58 0.8148 0.9999 1335464 TimTec1_002234 CCn1ccnc1P(=O)(N2CCOCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F13 compound treatment 0.342 0.0953 3.55 0.354 0.107 4.89 5.9622 0.9876 3083883 TimTec1_002235 CCN(CC)/C=C/1\SC(=S)N(C1=O)c2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F14 compound treatment 0.339 0.0923 3.43 0.33 0.0827 3.79 5.1063 0.9988 3210154 TimTec1_002236 COc1cc(/C=c/2\sc3=NN=C(C(c4ccccc4)n3\c2=N\CCO)c5ccccc5)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F15 compound treatment 0.277 0.0303 1.13 0.277 0.0297 1.36 1.7597 0.9957 3083885 TimTec1_002237 COc1ccc(NC(=O)CCCOc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F16 compound treatment 0.286 0.0393 1.46 0.281 0.0337 1.54 2.1259 0.9996 3210155 TimTec1_002238 O=C(C(c1ccccc1)c2ccccc2)N3CCNC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F17 compound treatment 0.286 0.0393 1.46 0.287 0.0397 1.82 2.3202 0.9942 3210156 TimTec1_002239 Oc1ccc2ccccc2c1/C=N/c3ccc(cc3)S(=O)(=O)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F18 compound treatment 0.272 0.0253 0.94 0.27 0.0227 1.04 1.4015 0.9988 3083888 TimTec1_002240 CC(C)(C)c1ccc(cc1)C(=O)n2cc(Cl)cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F19 compound treatment 0.289 0.0423 1.57 0.288 0.0407 1.86 2.4314 0.9965 3210157 TimTec1_002241 Cc1sc(C)c(CNc2ccccc2)c1CNc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F20 compound treatment 0.262 0.0153 0.57 0.264 0.0167 0.77 0.9443 0.9895 3083890 TimTec1_002242 C/C=C/C(=O)c1cc(Cl)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F21 compound treatment 0.259 0.0123 0.46 0.259 0.0117 0.54 0.7035 0.997 3083891 TimTec1_002243 CC(C)c1c(C#N)c(N)nc(SCC(=O)N)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F22 compound treatment 0.29 0.0433 1.61 0.286 0.0387 1.77 2.393 0.9989 3210158 TimTec1_002244 CC(C)c1nc2c(Br)cc(Br)cc2c(=S)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F23 mock treatment 0.256 0.00933 0.35 0.256 0.00871 0.4 0.5275 0.9976 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 F24 mock treatment 0.255 0.00833 0.31 0.256 0.00871 0.4 0.5012 0.9922 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G01 compound treatment 0.242 -0.00467 -0.17 0.241 -0.00629 -0.29 -0.3264 -0.9706 3210159 TimTec1_002245 O=C(Nc1ccccc1)Nc2ccccc2C(=O)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G02 compound treatment 0.25 0.00333 0.12 0.25 0.00271 0.12 0.1754 1.0 3083894 TimTec1_002246 CC1CCC(CC1)OC(=O)CCC(=O)Nc2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G03 compound treatment 0.254 0.00733 0.27 0.255 0.00771 0.35 0.4425 0.9919 1604712 TimTec1_002247 CNC(=O)Nc1ccc(cc1)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G04 compound treatment 0.31 0.0633 2.36 0.304 0.0567 2.6 3.5018 0.9988 3083896 TimTec1_002248 CC(C)Nc1ccc(cc1)n2nc3ccccc3[n+]2[O-] 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G05 compound treatment 0.255 0.00833 0.31 0.259 0.0117 0.54 0.5983 0.9661 3210160 TimTec1_002249 COc1ccc2nc(sc2c1)/C(=N/O)/N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G06 compound treatment 0.267 0.0203 0.76 0.267 0.0197 0.9 1.1729 0.9961 3083961 TimTec1_002250 CC(C)(C)c1ccc(O)c(c1)C(=O)Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G07 compound treatment 0.261 0.0143 0.53 0.259 0.0117 0.54 0.7561 1.0 1508878 TimTec1_002251 Cc1ccc(cc1C)C(=O)COC(=O)C2C(C3CC2C=C3)C(=O)OCC(=O)c4ccc(C)c(C)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G08 compound treatment 0.26 0.0133 0.5 0.258 0.0107 0.49 0.6974 1.0 1208353 TimTec1_002252 N#Cc1nc(oc1NCCN2CCCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G09 compound treatment 0.288 0.0413 1.54 0.288 0.0407 1.86 2.4051 0.9954 3210161 TimTec1_002253 CCOc1ccc(/C=C/2\NC(=S)NC2=O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G10 compound treatment 0.262 0.0153 0.57 0.259 0.0117 0.54 0.7824 0.9995 3083965 TimTec1_002254 O=c/1[nH]\c(=C\c2ccco2)\c(=O)[nH]\c1=C/c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G11 compound treatment 0.253 0.00633 0.24 0.253 0.00571 0.26 0.3514 0.9986 3210162 TimTec1_002255 CCOC(=O)C1=C(C)OC2=C(C1c3ccc(CC)s3)C(=O)CC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G12 compound treatment 0.273 0.0263 0.98 0.275 0.0277 1.27 1.5897 0.9918 1549435 TimTec1_002256 OC(=O)CNc1nc(nc2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G13 compound treatment 0.256 0.00933 0.35 0.254 0.00671 0.31 0.4627 0.9981 3210163 TimTec1_002257 Cc1cc(nc2cc(nn12)C(=O)Nc3ccccc3C(F)(F)F)c4ccc(F)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G14 compound treatment 0.256 0.00933 0.35 0.256 0.00871 0.4 0.5275 0.9976 3083968 TimTec1_002258 Brc1ccc2ncn(CC=C)c(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G15 compound treatment 0.244 -0.00267 -0.1 0.244 -0.00329 -0.15 -0.1767 -0.9794 3210164 TimTec1_002259 O/C(=C/C=N/Cc1ccccc1)/c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G16 compound treatment 0.257 0.0103 0.38 0.257 0.00971 0.44 0.5861 0.9974 3083970 TimTec1_002260 CCc1ccc(OCCCC(=O)Nc2nnc[nH]2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G17 compound treatment 0.28 0.0333 1.24 0.285 0.0377 1.73 2.0976 0.9868 1157670 TimTec1_002261 Fc1ccc(cc1)C(=O)CNc2ccc3c(c2)oc4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G18 compound treatment 0.303 0.0563 2.1 0.301 0.0537 2.46 3.2205 0.9968 1710239 TimTec1_002262 CC(C)c1cccc(C)c1NC(=O)c2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G19 compound treatment 0.269 0.0223 0.83 0.269 0.0217 0.99 1.2903 0.996 3210165 TimTec1_002263 S=C(N/C(=N/c1ccccc1)/c2ccccc2)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G20 compound treatment 0.213 -0.0337 -1.25 0.215 -0.0323 -1.48 -1.9309 -0.9966 1693000 TimTec1_002264 CCS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G21 compound treatment 0.268 0.0213 0.79 0.271 0.0237 1.09 1.3287 0.9881 1686276 TimTec1_002265 CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G22 compound treatment 0.267 0.0203 0.76 0.267 0.0197 0.9 1.1729 0.9961 1208703 TimTec1_002266 CCc1ccc(cc1)C2=CC(C(C#N)C(=O)N2)c3cccc(Br)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G23 mock treatment 0.253 0.00633 0.24 0.252 0.00471 0.22 0.3191 0.999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 G24 mock treatment 0.244 -0.00267 -0.1 0.249 0.00171 0.08 -0.0148 -0.117 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H01 compound treatment 0.257 0.0103 0.38 0.251 0.00371 0.17 0.3919 0.9326 3083974 TimTec1_002267 COc1cccc(NC(=O)Nc2nncs2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H02 compound treatment 0.257 0.0103 0.38 0.258 0.0107 0.49 0.6185 0.9927 3210281 TimTec1_002268 Cc1ccc(NC(=O)COC(=O)CSc2nnc([nH]2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H03 compound treatment 0.293 0.0463 1.72 0.299 0.0517 2.37 2.8928 0.9878 3083976 TimTec1_002269 O=c1oc(ns1)c2cc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H04 compound treatment 0.259 0.0123 0.46 0.258 0.0107 0.49 0.6711 0.9994 3210282 TimTec1_002270 Cc1ccc2c(nc3s/c(=C\c4ccc(o4)c5ccccc5F)/c(=O)n32)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H05 compound treatment 0.263 0.0163 0.61 0.262 0.0147 0.67 0.9058 0.9987 3083979 TimTec1_002271 O=C(CSc1ccccn1)NC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H06 compound treatment 0.303 0.0563 2.1 0.304 0.0567 2.6 3.3177 0.9943 1698408 TimTec1_002272 NC(=O)C1C(=NC(=C(C#N)C21CCCCC2)N)SCC(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H07 compound treatment 0.265 0.0183 0.68 0.264 0.0167 0.77 1.0232 0.9984 3083981 TimTec1_002273 COc1ccccc1/C=C/C(=O)Nc2sc3CCCc3c2C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H08 compound treatment 0.254 0.00733 0.27 0.256 0.00871 0.4 0.4749 0.9828 1633716 TimTec1_002274 CC1CCN(CC1)C(=O)c2scc3CCCCc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H09 compound treatment 0.255 0.00833 0.31 0.256 0.00871 0.4 0.5012 0.9922 1434772 TimTec1_002275 Cc1cccc(NC(=O)c2cccc(Br)c2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H10 compound treatment 0.293 0.0463 1.72 0.295 0.0477 2.18 2.7633 0.9931 1459322 TimTec1_002276 COC(=O)c1ccc2CN(Cc2c1)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H11 compound treatment 0.254 0.00733 0.27 0.254 0.00671 0.31 0.4101 0.9982 1227803 TimTec1_002277 CC(=O)Oc1ccc(cc1)C(C)(C)c2ccc(OC(=O)C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H12 compound treatment 0.272 0.0253 0.94 0.273 0.0257 1.18 1.4987 0.9939 1246806 TimTec1_002278 O=C(COc1ccccc1)Nc2ccc(cc2)S(=O)(=O)Nc3ncccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H13 compound treatment 0.26 0.0133 0.5 0.254 0.00671 0.31 0.5679 0.9735 3210283 TimTec1_002279 C[C@@H](N1C[C@@H](CO)OC1=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H14 compound treatment 0.264 0.0173 0.64 0.265 0.0177 0.81 1.0293 0.9935 1334040 TimTec1_002280 OC(=O)CCN1CCn2c3C1CCCc3c4cc(ccc24)C5CCCCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H15 compound treatment 0.26 0.0133 0.5 0.259 0.0117 0.54 0.7298 0.9992 3084053 TimTec1_002281 CCCNC(=O)N(C)Cc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H16 compound treatment 0.28 0.0333 1.24 0.27 0.0227 1.04 1.612 0.9962 1566880 TimTec1_002282 CCOc1ccc(NC(=O)Cc2ccccc2OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H17 compound treatment 0.285 0.0383 1.43 0.285 0.0377 1.73 2.2291 0.9955 1399838 TimTec1_002283 CC(C)N1C(n2oc(=O)n(c3cccc(Cl)c3)c2=O)C(C)(C)SC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H18 compound treatment 0.262 0.0153 0.57 0.256 0.00871 0.4 0.6853 0.9847 3084055 TimTec1_002284 Cc1ccccc1C(=O)n2cc(Cl)cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H19 compound treatment 0.261 0.0143 0.53 0.264 0.0167 0.77 0.918 0.9844 3210284 TimTec1_002285 CCSc1nnc2n(/N=C/c3cccs3)cnn12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H20 compound treatment 0.252 0.00533 0.2 0.254 0.00671 0.31 0.3575 0.9776 3210285 TimTec1_002286 O=C(CSc1nnc(c2ccccc2)n1c3ccccc3)NC4CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H21 compound treatment 0.256 0.00933 0.35 0.258 0.0107 0.49 0.5922 0.9857 1379455 TimTec1_002287 NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(c2)N3C(=O)CCC3=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H22 compound treatment 0.244 -0.00267 -0.1 0.248 7.1E-4 0.03 -0.0472 -0.4518 3210286 TimTec1_002288 CC(Sc1ccc(Cl)cc1)C(=O)NCc2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H23 mock treatment 0.26 0.0133 0.5 0.257 0.00971 0.44 0.665 0.9985 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 H24 mock treatment 0.242 -0.00467 -0.17 0.242 -0.00529 -0.24 -0.294 -0.9866 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I01 compound treatment 0.251 0.00433 0.16 0.245 -0.00229 -0.1 0.0398 0.2071 3084057 TimTec1_002289 COC(=O)c1ccc(NC(=S)N2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I02 compound treatment 0.259 0.0123 0.46 0.26 0.0127 0.58 0.7359 0.9931 3210287 TimTec1_002290 CCOc1ccc(NC(=O)C2CC=CCC2C(=O)OC(C)CC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I03 compound treatment 0.265 0.0183 0.68 0.263 0.0157 0.72 0.9908 0.9996 1638709 TimTec1_002291 CNC(=O)Nc1ccc(cc1)C(=O)NC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I04 compound treatment 0.257 0.0103 0.38 0.255 0.00771 0.35 0.5214 0.9991 1005018 TimTec1_002292 Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I05 compound treatment 0.275 0.0283 1.05 0.275 0.0277 1.27 1.6423 0.9957 3210288 TimTec1_002293 Cc1cccc2c(O)c(/C=C/3\C(NN(C3=O)c4ccccc4)c5ccccc5)c(=O)[nH]c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I06 compound treatment 0.267 0.0203 0.76 0.267 0.0197 0.9 1.1729 0.9961 1025812 TimTec1_002294 CNC(=O)c1ccc(N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I07 compound treatment 0.3 0.0533 1.98 0.295 0.0477 2.18 2.9474 0.9988 3210289 TimTec1_002295 O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)/C=C/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I08 compound treatment 0.312 0.0653 2.43 0.31 0.0627 2.87 3.7486 0.9966 1738195 TimTec1_002296 Cc1ccc(cc1)N(C(=O)COc2c(C)cccc2C)S(=O)(=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I09 compound treatment 0.278 0.0313 1.17 0.278 0.0307 1.41 1.8184 0.9956 3210290 TimTec1_002297 O=C/1NC(=S)S\C1=C\c2ccc(o2)c3ccc4C(=O)NC(=O)c4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I10 compound treatment 0.261 0.0143 0.53 0.261 0.0137 0.63 0.8208 0.9967 3084063 TimTec1_002298 Nc1cc(O)n(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I11 compound treatment 0.262 0.0153 0.57 0.262 0.0147 0.67 0.8795 0.9966 3210291 TimTec1_002299 CC(=C)C(=O)OCCc1ccc(O)c(c1)n2nc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I12 compound treatment 0.272 0.0253 0.94 0.271 0.0237 1.09 1.4339 0.9975 1195244 TimTec1_002300 Cc1cc(Nc2ccc(Cl)cc2)c3ccccc3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I13 compound treatment 0.256 0.00933 0.35 0.254 0.00671 0.31 0.4627 0.9981 3210292 TimTec1_002301 FC(F)(F)c1ccccc1CN2CCN(CC3CC4CC3C=C4)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I14 compound treatment 0.262 0.0153 0.57 0.261 0.0137 0.63 0.8471 0.9989 1020410 TimTec1_002302 Nc1ccc(cc1)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I15 compound treatment 0.255 0.00833 0.31 0.258 0.0107 0.49 0.5659 0.9755 1667680 TimTec1_002303 CC(Sc1nc(C)c(Oc2ccccc2)c(O)n1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I16 compound treatment 0.269 0.0223 0.83 0.263 0.0157 0.72 1.096 0.9974 3084067 TimTec1_002304 Cc1ccc(OCc2ccc(Cl)cc2)c(c1)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I17 compound treatment 0.257 0.0103 0.38 0.26 0.0127 0.58 0.6833 0.9797 1430919 TimTec1_002305 Cc1nonc1N(Cc2ccc(F)cc2)S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I18 compound treatment 0.269 0.0223 0.83 0.264 0.0167 0.77 1.1284 0.9992 3210293 TimTec1_002306 O=C(CCCOc1ccccc1)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I19 compound treatment 0.267 0.0203 0.76 0.268 0.0207 0.95 1.2053 0.9937 1603996 TimTec1_002307 N#Cc1nc(oc1N2CCCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I20 compound treatment 0.262 0.0153 0.57 0.276 0.0287 1.31 1.3328 0.9301 1030356 TimTec1_002308 O=C(Nc1ccccc1)Nc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I21 compound treatment 0.247 3.33E-4 0.01 0.245 -0.00229 -0.1 -0.0654 -0.6192 3210294 TimTec1_002309 CCOC(=O)c1cnc2ccc(OCC)cc2c1NCCCN3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I22 compound treatment 0.271 0.0243 0.91 0.272 0.0247 1.13 1.44 0.9939 3084138 TimTec1_002310 Cc1cccc(CC2(Cc3cccc(C)c3)C(=O)OC(C)(C)OC2=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I23 mock treatment 0.258 0.0113 0.42 0.259 0.0117 0.54 0.6772 0.9929 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 I24 mock treatment 0.243 -0.00367 -0.14 0.244 -0.00329 -0.15 -0.203 -0.9988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J01 compound treatment 0.266 0.0193 0.72 0.263 0.0157 0.72 1.0171 1.0 3210295 TimTec1_002311 Clc1cccc(NC(=O)Nc2nncs2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J02 compound treatment 0.254 0.00733 0.27 0.254 0.00671 0.31 0.4101 0.9982 3210296 TimTec1_002312 CCN1/C(=c\2/sc3nc4ccccc4n3c2=O)/Sc5ccc(OC)cc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J03 compound treatment 0.255 0.00833 0.31 0.254 0.00671 0.31 0.4364 1.0 3084141 TimTec1_002313 O=c1oc(ns1)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J04 compound treatment 0.252 0.00533 0.2 0.253 0.00571 0.26 0.3251 0.9907 1542017 TimTec1_002314 CCOC(=O)C1C(C(C(=O)OCC)C(=O)CC1=O)c2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J05 compound treatment 0.261 0.0143 0.53 0.258 0.0107 0.49 0.7237 0.9991 3084143 TimTec1_002315 N=C1SCC(=O)N1C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J06 compound treatment 0.255 0.00833 0.31 0.257 0.00971 0.44 0.5335 0.9845 1449538 TimTec1_002316 O=C(NCc1cccnc1)NC2(CC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J07 compound treatment 0.25 0.00333 0.12 0.251 0.00371 0.17 0.2078 0.988 3084144 TimTec1_002317 N/C(=N\O)/c1ccc(NC(=O)c2ccccn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J08 compound treatment 0.271 0.0243 0.91 0.267 0.0197 0.9 1.2781 1.0 1594153 TimTec1_002318 CN(C)c1nc(F)c(F)c(c1F)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J09 compound treatment 0.249 0.00233 0.09 0.251 0.00371 0.17 0.1815 0.9514 1187969 TimTec1_002319 Cn1cc(Cl)c(n1)C(=O)N2CCc3ccccc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J10 compound treatment 0.255 0.00833 0.31 0.255 0.00771 0.35 0.4688 0.9979 1126252 TimTec1_002320 CC(C)OC1(O)C(=O)c2ccccc2C(=O)C1(O)OC(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J11 compound treatment 0.257 0.0103 0.38 0.261 0.0137 0.63 0.7156 0.9723 1344052 TimTec1_002321 Cc1ccc(cc1)S(=O)(=O)Nc2c[nH]c(=O)[nH]c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J12 compound treatment 0.257 0.0103 0.38 0.255 0.00771 0.35 0.5214 0.9991 1290298 TimTec1_002322 O=C(Nc1nccs1)c2ccccc2C(=O)Nc3nccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J13 compound treatment 0.257 0.0103 0.38 0.255 0.00771 0.35 0.5214 0.9991 1039552 TimTec1_002323 CCC(N)Cc1c[nH]c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J14 compound treatment 0.256 0.00933 0.35 0.253 0.00571 0.26 0.4303 0.9902 1270186 TimTec1_002324 O=C(Oc1nsnc1N2CCOCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J15 compound treatment 0.255 0.00833 0.31 0.25 0.00271 0.12 0.3069 0.9192 1075811 TimTec1_002325 CCN(C(=O)c1ccc(cc1)C(=O)N(CC)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J16 compound treatment 0.285 0.0383 1.43 0.281 0.0337 1.54 2.0996 0.9992 3084150 TimTec1_002326 CCOc1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J17 compound treatment 0.3 0.0533 1.98 0.303 0.0557 2.55 3.2064 0.9923 3210404 TimTec1_002327 CC(C)(C)C(=O)CSc1nc(N)c(C#N)c(c2cccs2)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J18 compound treatment 0.253 0.00633 0.24 0.25 0.00271 0.12 0.2543 0.9551 1921516 TimTec1_002328 Cc1cc(C)n(n1)C(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J19 compound treatment 0.261 0.0143 0.53 0.258 0.0107 0.49 0.7237 0.9991 1585601 TimTec1_002329 COc1ccc(NC(=O)C2(C)c3ccccc3-c4ccccc42)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J20 compound treatment 0.274 0.0273 1.02 0.276 0.0287 1.31 1.6484 0.9919 1485338 TimTec1_002330 Cc1ccn2cc(nc2c1)c3ccc(O)c(O)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J21 compound treatment 0.263 0.0163 0.61 0.264 0.0167 0.77 0.9706 0.9935 3210405 TimTec1_002331 S=P(c1ccccc1)(c2ccccc2)C3(CCCC3)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J22 compound treatment 0.251 0.00433 0.16 0.255 0.00771 0.35 0.3636 0.9369 3084154 TimTec1_002332 CN(C)/C=N/c1nnc(s1)N2CCN(CC2)c3cccc(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J23 mock treatment 0.255 0.00833 0.31 0.253 0.00571 0.26 0.404 0.9964 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 J24 mock treatment 0.245 -0.00167 -0.06 0.231 -0.0163 -0.75 -0.5713 -0.7632 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K01 compound treatment 0.25 0.00333 0.12 0.252 0.00471 0.22 0.2402 0.9655 3210406 TimTec1_002333 COC(=O)c1ccccc1NC(=S)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K02 compound treatment 0.251 0.00433 0.16 0.252 0.00471 0.22 0.2665 0.9897 3210407 TimTec1_002334 CCC(C)OC(=O)C1CC=CCC1C(=O)Nc2cccc(Br)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K03 compound treatment 0.256 0.00933 0.35 0.258 0.0107 0.49 0.5922 0.9857 3084226 TimTec1_002335 CC(C)(C)Sc1cccc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K04 compound treatment 0.251 0.00433 0.16 0.252 0.00471 0.22 0.2665 0.9897 3084228 TimTec1_002336 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)C(C)(C)NO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K05 compound treatment 0.269 0.0223 0.83 0.271 0.0237 1.09 1.355 0.9913 3210408 TimTec1_002337 C/C(=C/C(=O)c1c(O)c2ccccc2n(C)c1=O)/Nc3ccc(N)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K06 compound treatment 0.266 0.0193 0.72 0.267 0.0197 0.9 1.1466 0.9937 1115526 TimTec1_002338 COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K07 compound treatment 0.279 0.0323 1.2 0.286 0.0387 1.77 2.1037 0.9822 1577631 TimTec1_002339 COc1cc(cc(OC)c1OC)C(=O)C(C#N)c2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K08 compound treatment 0.257 0.0103 0.38 0.258 0.0107 0.49 0.6185 0.9927 1662490 TimTec1_002340 COc1ccc(cc1)N(C(=O)c2ccc(OC)cc2)S(=O)(=O)c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K09 compound treatment 0.254 0.00733 0.27 0.256 0.00871 0.4 0.4749 0.9828 3210409 TimTec1_002341 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)c4ccc(C)c(C)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K10 compound treatment 0.258 0.0113 0.42 0.26 0.0127 0.58 0.7096 0.9875 3084233 TimTec1_002342 Cc1ccc2nc(sc2c1)c3ccc(/N=C/c4c[nH]c5ccccc45)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K11 compound treatment 0.254 0.00733 0.27 0.253 0.00571 0.26 0.3777 0.9998 1879124 TimTec1_002343 C(/C=C/c1ccccc1)N2CCNCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K12 compound treatment 0.261 0.0143 0.53 0.261 0.0137 0.63 0.8208 0.9967 1460330 TimTec1_002344 Cc1cc(NCc2ccco2)c3ccccc3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K13 compound treatment 0.277 0.0303 1.13 0.265 0.0177 0.81 1.3712 0.9869 3210411 TimTec1_002345 COc1ccc(NC(=O)C2CCCCN2/N=C/c3ccc(OC)c(OCC(C)C)c3)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K14 compound treatment 0.252 0.00533 0.2 0.253 0.00571 0.26 0.3251 0.9907 1358271 TimTec1_002346 O=C(N1CCCc2ccccc12)c3cc4ccccc4o3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K15 compound treatment 0.255 0.00833 0.31 0.258 0.0107 0.49 0.5659 0.9755 1526938 TimTec1_002347 CC1(C2C(C=CC1c3ccccc3)c4ccccc4)C(=O)N(CCC5=CCCCC5)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K16 compound treatment 0.263 0.0163 0.61 0.266 0.0187 0.86 1.0353 0.9858 1395232 TimTec1_002348 CC(C)(C)c1ccc(OCC(=O)NC(c2ccccc2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K17 compound treatment 0.261 0.0143 0.53 0.264 0.0167 0.77 0.918 0.9844 3210412 TimTec1_002349 O=C(Cc1ccccc1)Oc2ccc(/N=C/c3cccs3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K18 compound treatment 0.258 0.0113 0.42 0.259 0.0117 0.54 0.6772 0.9929 3084236 TimTec1_002350 CC(C)c1cccc(C(C)C)c1NC(=O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K19 compound treatment 0.321 0.0743 2.76 0.341 0.0937 4.29 4.989 0.9774 3210413 TimTec1_002351 OC(CN1C(=O)S/C(=C/c2ccccc2)/C1=O)Cn3c4ccccc4c5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K20 compound treatment 0.241 -0.00567 -0.21 0.243 -0.00429 -0.2 -0.2879 -0.9994 3084237 TimTec1_002352 Cc1ccccc1OCCCC(=O)Nc2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K21 compound treatment 0.254 0.00733 0.27 0.257 0.00971 0.44 0.5072 0.9725 3210414 TimTec1_002353 CC(Sc1ncnc2sc3CCCCc3c12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K22 compound treatment 0.257 0.0103 0.38 0.254 0.00671 0.31 0.489 0.9938 1464155 TimTec1_002354 CC1=CC(C)(C)N(C(=O)c2ccccc2)c3ccc(OC(=O)c4ccccc4)cc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K23 mock treatment 0.261 0.0143 0.53 0.258 0.0107 0.49 0.7237 0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 K24 mock treatment 0.253 0.00633 0.24 0.253 0.00571 0.26 0.3514 0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L01 compound treatment 0.252 0.00533 0.2 0.256 0.00871 0.4 0.4223 0.948 3210415 TimTec1_002355 Cc1cc(NC(=O)NC(C)(C)C)no1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L02 compound treatment 0.254 0.00733 0.27 0.255 0.00771 0.35 0.4425 0.9919 3084239 TimTec1_002356 CC1CCN(CC1)C(=O)/C=C\c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L03 compound treatment 0.264 0.0173 0.64 0.268 0.0207 0.95 1.1264 0.9823 3210416 TimTec1_002357 CC(=O)Nc1sc2CCCCc2c1c3nsc(=O)o3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L04 compound treatment 0.273 0.0263 0.98 0.277 0.0297 1.36 1.6545 0.987 1127427 TimTec1_002358 CC(C)(C)NC(=O)Cn1c(nc2ccccc12)c3nonc3N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L05 compound treatment 0.273 0.0263 0.98 0.279 0.0317 1.45 1.7192 0.9816 3084242 TimTec1_002359 O=c1[nH]cc(Sc2cccc3cccnc23)c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L06 compound treatment 0.258 0.0113 0.42 0.263 0.0157 0.72 0.8067 0.9676 1461401 TimTec1_002360 CC1(O)N(Cc2ccccn2)C(=O)OC31CC(C)(C)NC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L07 compound treatment 0.252 0.00533 0.2 0.252 0.00471 0.22 0.2928 0.9991 3084243 TimTec1_002361 OC(=O)C1CSC(N1)C2CCC=CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L08 compound treatment 0.249 0.00233 0.09 0.249 0.00171 0.08 0.1167 0.9987 1709669 TimTec1_002362 O=C(CSc1nc2ccccc2o1)NCC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L09 compound treatment 0.252 0.00533 0.2 0.254 0.00671 0.31 0.3575 0.9776 3084245 TimTec1_002363 Brc1cnn(c1)C(=O)COc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L10 compound treatment 0.258 0.0113 0.42 0.257 0.00971 0.44 0.6124 0.9996 3210417 TimTec1_002364 Cc1ccc(/C=N/N2C(=O)C3C4C=CC(C3C2=O)C54CC5)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L11 compound treatment 0.296 0.0493 1.83 0.298 0.0507 2.32 2.9393 0.9932 1712043 TimTec1_002365 O=C(Nc1cccc(c1)c2nc3ccccc3[nH]2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L12 compound treatment 0.263 0.0163 0.61 0.261 0.0137 0.63 0.8735 0.9999 1574585 TimTec1_002366 O=C(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)c3cc4ccccc4oc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L13 compound treatment 0.258 0.0113 0.42 0.255 0.00771 0.35 0.5477 0.9961 3423047 TimTec1_002367 NNC(=O)CCCCC1SCC2NC(=O)NC12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L14 compound treatment 0.275 0.0283 1.05 0.274 0.0267 1.22 1.61 0.9973 1216605 TimTec1_002368 Oc1ccc2ccccc2c1CN3CCN(Cc4ccc5OCOc5c4)CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L15 compound treatment 0.252 0.00533 0.2 0.254 0.00671 0.31 0.3575 0.9776 1280719 TimTec1_002369 CCN(Cc1ccccc1)C(=O)c2ccc(cc2)C(=O)N(CC)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L16 compound treatment 0.264 0.0173 0.64 0.264 0.0167 0.77 0.9969 0.9964 3084319 TimTec1_002370 COC(=O)c1ccccc1NC(=O)CCc2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L17 compound treatment 0.26 0.0133 0.5 0.263 0.0157 0.72 0.8593 0.9835 1598426 TimTec1_002371 CC(C)(C)Nc1nc(Cl)nc(n1)N(CN2C(=O)c3ccccc3S2(=O)=O)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L18 compound treatment 0.257 0.0103 0.38 0.26 0.0127 0.58 0.6833 0.9797 3084321 TimTec1_002372 Fc1ccc(cc1)C(=O)n2cc(Cl)cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L19 compound treatment 0.257 0.0103 0.38 0.259 0.0117 0.54 0.6509 0.9867 3210418 TimTec1_002373 COc1ccc(OC)c(/C=N/N2C(=O)C3C4C=CC(C3C2=O)C54CC5)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L20 compound treatment 0.305 0.0583 2.17 0.311 0.0637 2.92 3.5969 0.9894 1442776 TimTec1_002374 O=S(=O)(Nc1ccc2OC3(CCCCC3)Oc2c1)c4ccc5ccccc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L21 compound treatment 0.25 0.00333 0.12 0.253 0.00571 0.26 0.2725 0.9419 1471128 TimTec1_002375 CS(=O)(=O)C1=C(N)C(=O)N(C1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L22 compound treatment 0.257 0.0103 0.38 0.258 0.0107 0.49 0.6185 0.9927 3210419 TimTec1_002376 CC/N=C/1\S/C(=C\c2cn(nc2c3ccccc3)C(=O)C)/C(=O)N1CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L23 mock treatment 0.254 0.00733 0.27 0.256 0.00871 0.4 0.4749 0.9828 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 L24 mock treatment 0.255 0.00833 0.31 0.246 -0.00129 -0.06 0.1774 0.5622 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M01 compound treatment 0.26 0.0133 0.5 0.256 0.00871 0.4 0.6327 0.9942 3084325 TimTec1_002377 COC(=O)c1ccccc1NC(=S)Nc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M02 compound treatment 0.249 0.00233 0.09 0.252 0.00471 0.22 0.2139 0.92 3210420 TimTec1_002378 CC(=O)Nc1ccc(NC(=O)C2CC=CCC2C(=O)OCC=C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M03 compound treatment 0.26 0.0133 0.5 0.26 0.0127 0.58 0.7622 0.9968 1268388 TimTec1_002379 CC(C)(C)S(=O)(=O)c1ccc(cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M04 compound treatment 0.252 0.00533 0.2 0.253 0.00571 0.26 0.3251 0.9907 1008465 TimTec1_002380 CC(C)(c1ccccc1)c2ccc(O)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M05 compound treatment 0.269 0.0223 0.83 0.279 0.0317 1.45 1.614 0.9649 3210421 TimTec1_002381 Cn1c(=O)c(C(=O)/C=C/C=C/c2ccccc2)c(O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M06 compound treatment 0.258 0.0113 0.42 0.254 0.00671 0.31 0.5153 0.9879 1115325 TimTec1_002382 CC(=O)Nc1ccc(cc1)C(=O)NN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M07 compound treatment 0.277 0.0303 1.13 0.266 0.0187 0.86 1.4035 0.9908 3084329 TimTec1_002383 COc1cccc(OCCSc2nc3ccccc3s2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M08 compound treatment 0.251 0.00433 0.16 0.254 0.00671 0.31 0.3312 0.9547 1718621 TimTec1_002384 COc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M09 compound treatment 0.231 -0.0157 -0.58 0.238 -0.00929 -0.43 -0.7128 -0.988 3210534 TimTec1_002385 CCOC(=O)c1ccc(cc1)N2N=C(/C(=C/c3ccc(OCC)c(OCC)c3)/C2=O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M10 compound treatment 0.255 0.00833 0.31 0.258 0.0107 0.49 0.5659 0.9755 3084332 TimTec1_002386 NC(=O)c1ccccc1/N=C/c2ccc(Br)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M11 compound treatment 0.254 0.00733 0.27 0.254 0.00671 0.31 0.4101 0.9982 3084333 TimTec1_002387 CC(C)c1cc[nH]c1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M12 compound treatment 0.24 -0.00667 -0.25 0.243 -0.00429 -0.2 -0.3142 -0.9933 1512531 TimTec1_002388 Cc1cccc(Oc2cc(C)nc3ccc(C)cc23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M13 compound treatment 0.255 0.00833 0.31 0.253 0.00571 0.26 0.404 0.9964 3084336 TimTec1_002389 CCOC(=O)C(C)Sc1nc(N)nc(SC)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M14 compound treatment 0.256 0.00933 0.35 0.25 0.00271 0.12 0.3332 0.9038 3210535 TimTec1_002390 CS(=O)(=O)Nc1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M15 compound treatment 0.248 0.00133 0.05 0.251 0.00371 0.17 0.1552 0.8769 1144104 TimTec1_002391 CC1OS(=O)OC1(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M16 compound treatment 0.272 0.0253 0.94 0.275 0.0277 1.27 1.5634 0.9893 1527653 TimTec1_002392 CCCOC(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M17 compound treatment 0.261 0.0143 0.53 0.264 0.0167 0.77 0.918 0.9844 3083234 TimTec1_002393 Cc1ccc(cc1)C(=O)Oc2ccc(/C=N/c3cccs3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M18 compound treatment 0.257 0.0103 0.38 0.261 0.0137 0.63 0.7156 0.9723 1460929 TimTec1_002394 Cn1nccc1C(=O)NCCN2C(=O)OC3(CCCCC3)C2(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M19 compound treatment 0.243 -0.00367 -0.14 0.25 0.00271 0.12 -0.0087 -0.0472 3083237 TimTec1_002395 Nc1c(n[nH]c1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M20 compound treatment 0.241 -0.00567 -0.21 0.246 -0.00129 -0.06 -0.1908 -0.8717 3210536 TimTec1_002396 CCc1ccc(OCCCC(=O)NCc2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M21 compound treatment 0.254 0.00733 0.27 0.256 0.00871 0.4 0.4749 0.9828 3083239 TimTec1_002397 Oc1ccc(Br)cc1/C=N\S(=O)(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M22 compound treatment 0.253 0.00633 0.24 0.261 0.0137 0.63 0.6104 0.9105 1432671 TimTec1_002398 O=C(C(Sc1ccccc1)c2ccccc2)N3CCCc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M23 mock treatment 0.25 0.00333 0.12 0.253 0.00571 0.26 0.2725 0.9419 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 M24 mock treatment 0.246 -6.67E-4 -0.02 0.253 0.00571 0.26 0.1673 0.6372 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N01 compound treatment 0.244 -0.00267 -0.1 0.243 -0.00429 -0.2 -0.209 -0.9499 3083240 TimTec1_002399 Cc1csc(NC(=O)NC(C)(C)C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N02 compound treatment 0.248 0.00133 0.05 0.246 -0.00129 -0.06 -0.0067 -0.087 3210537 TimTec1_002400 FC(F)(F)c1ccc(cc1)C(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N03 compound treatment 0.291 0.0443 1.65 0.293 0.0457 2.09 2.6459 0.993 3210538 TimTec1_002401 CSc1nsc(SCc2ccc(cc2)C(=O)Nc3ccc(Cl)cc3)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N04 compound treatment 0.235 -0.0117 -0.43 0.247 -2.9E-4 -0.01 -0.3162 -0.7284 1438663 TimTec1_002402 COC(=O)c1sc(C(=O)OC)c2OCCOc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N05 compound treatment 0.26 0.0133 0.5 0.259 0.0117 0.54 0.7298 0.9992 1361986 TimTec1_002403 O=C(Nc1nc2ccccc2s1)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N06 compound treatment 0.268 0.0213 0.79 0.271 0.0237 1.09 1.3287 0.9881 1212434 TimTec1_002404 O=C(NC1(CC2CC3CC(C2)C1)C3)C4CCCN4S(=O)(=O)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N07 compound treatment 0.248 0.00133 0.05 0.25 0.00271 0.12 0.1228 0.9191 3083244 TimTec1_002405 CC(C1NC(CS1)C(=O)O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N08 compound treatment 0.245 -0.00167 -0.06 0.241 -0.00629 -0.29 -0.2475 -0.8401 1224464 TimTec1_002406 COc1ccccc1CN(C2CC(C)(C)N(C(=O)C)C(C)(C)C2)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N09 compound treatment 0.244 -0.00267 -0.1 0.256 0.00871 0.4 0.2119 0.5155 1304876 TimTec1_002407 Oc1ccccc1NC(=O)c2cc(NC(=O)c3ccccc3)cc(c2)C(=O)Nc4ccccc4O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N10 compound treatment 0.244 -0.00267 -0.1 0.248 7.1E-4 0.03 -0.0472 -0.4518 1473339 TimTec1_002408 Brc1cccc(Cn2ccc(NC3CCCC3)nc2=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N11 compound treatment 0.248 0.00133 0.05 0.248 7.1E-4 0.03 0.058 0.979 1341588 TimTec1_002409 O=C(COc1ccccc1)Nc2nccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N12 compound treatment 0.243 -0.00367 -0.14 0.245 -0.00229 -0.1 -0.1706 -0.9916 1327761 TimTec1_002410 Cc1ccc2nc(NC(=O)C3CC(O)CN3C(=O)Oc4ccccc4)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N13 compound treatment 0.248 0.00133 0.05 0.255 0.00771 0.35 0.2847 0.7986 3210539 TimTec1_002411 CCN(CC)c1ccc(/N=C/c2cc(C)n(c2C)c3ccc(OC(=O)C)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N14 compound treatment 0.249 0.00233 0.09 0.248 7.1E-4 0.03 0.0843 0.9102 1381502 TimTec1_002412 Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N15 compound treatment 0.251 0.00433 0.16 0.247 -2.9E-4 -0.01 0.1046 0.6466 1470780 TimTec1_002413 O=C(N1CCc2ccccc2C1)c3ccc(cc3)C(=O)N4CCc5ccccc5C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N16 compound treatment 0.256 0.00933 0.35 0.26 0.0127 0.58 0.657 0.9695 3083248 TimTec1_002414 COC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OC)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N17 compound treatment 0.252 0.00533 0.2 0.256 0.00871 0.4 0.4223 0.948 1663793 TimTec1_002415 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccc(C)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N18 compound treatment 0.249 0.00233 0.09 0.252 0.00471 0.22 0.2139 0.92 3083249 TimTec1_002416 COc1ccc(/C=N/c2nonc2N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N19 compound treatment 0.242 -0.00467 -0.17 0.241 -0.00629 -0.29 -0.3264 -0.9706 1431956 TimTec1_002417 O=C(Nn1nnnc1Nc2ccccc2)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N20 compound treatment 0.248 0.00133 0.05 0.25 0.00271 0.12 0.1228 0.9191 3210540 TimTec1_002418 O=C(NCCSc1ccccc1)C2CCCN2S(=O)(=O)c3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N21 compound treatment 0.248 0.00133 0.05 0.257 0.00971 0.44 0.3494 0.7811 1438435 TimTec1_002419 CC(C)(C)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc3nccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N22 compound treatment 0.249 0.00233 0.09 0.253 0.00571 0.26 0.2462 0.8939 3083251 TimTec1_002420 Cc1nn(Cc2ccc(o2)C(=O)n3cc(Cl)cn3)c(C)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N23 mock treatment 0.25 0.00333 0.12 0.251 0.00371 0.17 0.2078 0.988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 N24 mock treatment 0.239 -0.00767 -0.29 0.235 -0.0123 -0.56 -0.5996 -0.9504 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O01 compound treatment 0.243 -0.00367 -0.14 0.237 -0.0103 -0.47 -0.4296 -0.8758 3210541 TimTec1_002421 COC(=O)c1cccc(NC(=S)N)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O02 compound treatment 0.241 -0.00567 -0.21 0.239 -0.00829 -0.38 -0.4174 -0.9615 3210542 TimTec1_002422 CCC(C)OC(=O)C1CC=CCC1C(=O)Nc2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O03 compound treatment 0.243 -0.00367 -0.14 0.244 -0.00329 -0.15 -0.203 -0.9988 1368916 TimTec1_002423 CC(C)(C)S(=O)(=O)c1ccc(s1)S(=O)(=O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O04 compound treatment 0.249 0.00233 0.09 0.255 0.00771 0.35 0.311 0.8555 3083253 TimTec1_002424 Oc1ccccc1c2cc(nc(n2)c3ccccc3)c4ccccc4O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O05 compound treatment 0.255 0.00833 0.31 0.252 0.00471 0.22 0.3717 0.9843 3210543 TimTec1_002425 Oc1ccc(/C=C/2\N=C(N(C2=O)c3nc4cc(Cl)c(F)cc4s3)c5ccccc5)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O06 compound treatment 0.254 0.00733 0.27 0.256 0.00871 0.4 0.4749 0.9828 1018518 TimTec1_002426 NC(=O)Nc1ccc(cc1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O07 compound treatment 0.248 0.00133 0.05 0.244 -0.00329 -0.15 -0.0715 -0.4506 3210544 TimTec1_002427 Cc1ccc2nc([nH]c2c1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O08 compound treatment 0.287 0.0403 1.5 0.293 0.0457 2.09 2.5407 0.9867 3210545 TimTec1_002428 Cc1ccc(cc1/N=C/c2cc(Br)ccc2O)c3nc4ccccc4[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O09 compound treatment 0.247 3.33E-4 0.01 0.247 -2.9E-4 -0.01 -6.0E-4 -0.0348 1303670 TimTec1_002429 OCCSc1nc2ccccc2n1Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O10 compound treatment 0.257 0.0103 0.38 0.256 0.00871 0.4 0.5538 0.9998 1421938 TimTec1_002430 O=S(=O)(N1CCC(Cc2ccccc2)CC1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O11 compound treatment 0.236 -0.0107 -0.4 0.239 -0.00829 -0.38 -0.549 -0.9998 3083599 TimTec1_002431 CCn1ccc(C(C)C)c1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O12 compound treatment 0.259 0.0123 0.46 0.259 0.0117 0.54 0.7035 0.997 1392594 TimTec1_002432 CCOC(=O)c1cnc2ccc(OCC)cc2c1NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O13 compound treatment 0.258 0.0113 0.42 0.258 0.0107 0.49 0.6448 0.9972 1448583 TimTec1_002433 CC1=NN(C(=O)CSc2nc3ccccc3s2)C(C)(O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O14 compound treatment 0.239 -0.00767 -0.29 0.245 -0.00229 -0.1 -0.2758 -0.9077 3210546 TimTec1_002434 COc1ccc(cc1OC)C(=O)NCCOc2cc(C)cc(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O15 compound treatment 0.251 0.00433 0.16 0.247 -2.9E-4 -0.01 0.1046 0.6466 1920603 TimTec1_002435 CC1CCN(CC1)C(=O)Nc2ccccc2C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O16 compound treatment 0.252 0.00533 0.2 0.252 0.00471 0.22 0.2928 0.9991 1864261 TimTec1_002436 CCC(=O)Oc1ccc(/C=C/c2ccccc2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O17 compound treatment 0.251 0.00433 0.16 0.255 0.00771 0.35 0.3636 0.9369 3210547 TimTec1_002437 Brc1ccc(cc1)C(=O)CSC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O18 compound treatment 0.257 0.0103 0.38 0.251 0.00371 0.17 0.3919 0.9326 1208412 TimTec1_002438 CC(C)C(=O)NC1CCCCCCCCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O19 compound treatment 0.25 0.00333 0.12 0.261 0.0137 0.63 0.5315 0.8307 1373698 TimTec1_002439 N#Cc1nc(oc1NCc2ccco2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O20 compound treatment 0.249 0.00233 0.09 0.254 0.00671 0.31 0.2786 0.8727 3210548 TimTec1_002440 Clc1ccc(OCCCC(=O)NCC2CCCO2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O21 compound treatment 0.267 0.0203 0.76 0.268 0.0207 0.95 1.2053 0.9937 1545717 TimTec1_002441 O=C(Nc1ccccc1)C2CC=CCC2C(=O)OCC3CCCO3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O22 compound treatment 0.251 0.00433 0.16 0.256 0.00871 0.4 0.396 0.9206 3083601 TimTec1_002442 CCC(C)NC(=O)Nc1ccc(C)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O23 mock treatment 0.247 3.33E-4 0.01 0.25 0.00271 0.12 0.0965 0.7739 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 O24 mock treatment 0.246 -6.67E-4 -0.02 0.234 -0.0133 -0.61 -0.4478 -0.7353 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P01 compound treatment 0.236 -0.0107 -0.4 0.218 -0.0293 -1.34 -1.2289 -0.8787 3210549 TimTec1_002443 COc1ccc(CCNC(=O)NC(C)(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P02 compound treatment 0.259 0.0123 0.46 0.256 0.00871 0.4 0.6064 0.9976 3083602 TimTec1_002444 Cc1ccc(cc1)S(=O)(=O)c2no[n+]([O-])c2S(=O)(=O)c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P03 compound treatment 0.274 0.0273 1.02 0.277 0.0297 1.36 1.6808 0.9897 3210664 TimTec1_002445 Clc1ccc(NC(=O)c2ccc(CSC3=NCCS3)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P04 compound treatment 0.249 0.00233 0.09 0.248 7.1E-4 0.03 0.0843 0.9102 1549117 TimTec1_002446 CN(C1CC(C)(C)N(O)C(C)(C)C1)C(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P05 compound treatment 0.264 0.0173 0.64 0.259 0.0117 0.54 0.835 0.9958 3210665 TimTec1_002447 Cc1ccc(/C(=N\O)/N)n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P06 compound treatment 0.252 0.00533 0.2 0.253 0.00571 0.26 0.3251 0.9907 1268004 TimTec1_002448 CN(C1CC(C)(C)NC(C)(C)C1)C(=O)c2ccc(cc2)n3cnnn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P07 compound treatment 0.261 0.0143 0.53 0.251 0.00371 0.17 0.4971 0.8884 3083603 TimTec1_002449 NNC(=O)c1nnn(c1CNc2ccccc2)c3nonc3N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P08 compound treatment 0.244 -0.00267 -0.1 0.249 0.00171 0.08 -0.0148 -0.117 1521216 TimTec1_002450 CC1(C)CC(CC(C)(C)N1)NC(=O)NC(=O)c2c(F)cccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P09 compound treatment 0.255 0.00833 0.31 0.251 0.00371 0.17 0.3393 0.9599 1778355 TimTec1_002451 CC(C)(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P10 compound treatment 0.227 -0.0197 -0.73 0.237 -0.0103 -0.47 -0.8504 -0.9774 3210666 TimTec1_002452 Cc1cc(C)c(C#N)c(SCC(=O)C(C)(C)C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P11 compound treatment 0.248 0.00133 0.05 0.253 0.00571 0.26 0.2199 0.8265 1283021 TimTec1_002453 OC(=O)c1ccccc1NC(=O)c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P12 compound treatment 0.259 0.0123 0.46 0.255 0.00771 0.35 0.574 0.9916 3210667 TimTec1_002454 C(=N/c1cccc(\N=C\c2ccco2)n1)\c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P13 compound treatment 0.283 0.0363 1.35 0.281 0.0337 1.54 2.047 0.9978 3210668 TimTec1_002455 COC(=O)c1cccc(NC(=O)/C=C/c2ccc3OCOc3c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P14 compound treatment 0.253 0.00633 0.24 0.252 0.00471 0.22 0.3191 0.999 3083604 TimTec1_002456 Cc1sc2ncnc(Sc3ncnc4sc(C)c(C)c34)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P15 compound treatment 0.259 0.0123 0.46 0.257 0.00971 0.44 0.6387 0.9999 1287584 TimTec1_002457 CCOC(=O)c1ccc(NC(=O)C(Sc2ccccc2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P16 compound treatment 0.25 0.00333 0.12 0.249 0.00171 0.08 0.143 0.9754 3083605 TimTec1_002458 COC(=O)c1ccc(Cl)cc1OC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P17 compound treatment 0.246 -6.67E-4 -0.02 0.247 -2.9E-4 -0.01 -0.0269 -0.9573 1716804 TimTec1_002459 CC1CC(O)(CC(O)(c2ccccc2)c3ccccc3)C(C)CN1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P18 compound treatment 0.331 0.0843 3.14 0.315 0.0677 3.1 4.4102 1.0 3083606 TimTec1_002460 Cc1cccc(N2C(=O)/C(=C\3/C(=O)N(CC(=O)O)c4ccccc34)/SC2=S)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P19 compound treatment 0.256 0.00933 0.35 0.251 0.00371 0.17 0.3656 0.9459 3210669 TimTec1_002461 CC1CCc2c(C#N)c(/N=C/C=C/c3ccccc3)sc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P20 compound treatment 0.238 -0.00867 -0.32 0.241 -0.00629 -0.29 -0.4316 -0.9984 1689508 TimTec1_002462 CC(C)(C)c1ccc(CNC(=O)C2CCCN2S(=O)(=O)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P21 compound treatment 0.245 -0.00167 -0.06 0.246 -0.00129 -0.06 -0.0856 -0.9997 3083607 TimTec1_002463 CC(C)(CNC(=O)c1ccccc1Cl)CNC2=NS(=O)(=O)c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P22 compound treatment 0.311 0.0643 2.39 0.315 0.0677 3.1 3.8842 0.9918 1611856 TimTec1_002464 Cc1ccc(CC(=O)[C@@H]2[C@@H](c3ccoc3)C(C#N)(C#N)[C@H]4C=Cc5ccccc5N24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P23 mock treatment 0.244 -0.00267 -0.1 0.236 -0.0113 -0.52 -0.4357 -0.8277 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2069 P24 mock treatment 0.243 -0.00367 -0.14 0.206 -0.0413 -1.89 -1.4333 -0.7562 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A01 compound treatment 0.199 -0.0495 -1.84 0.208 -0.0398 -1.82 -2.5916 -1.0 1440335 TimTec1_002465 COc1ccc2N(C(=O)CN3C(=O)CCC3=O)C(C)(C)C=C(C)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A02 compound treatment 0.219 -0.0295 -1.1 0.239 -0.00883 -0.4 -1.0619 -0.908 3210671 TimTec1_002466 Oc1ccccc1/C=N/c2ccc(cc2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A03 compound treatment 0.25 0.0015 0.06 0.244 -0.00383 -0.18 -0.0847 -0.4597 1235611 TimTec1_002467 CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A04 compound treatment 0.286 0.0375 1.39 0.267 0.0192 0.88 1.6068 0.9751 3210672 TimTec1_002468 CC(NC(=O)/C=C/c1cccc2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A05 compound treatment 0.239 -0.0095 -0.35 0.23 -0.0178 -0.82 -0.8272 -0.9298 3210673 TimTec1_002469 C[S+](C)c1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A06 compound treatment 0.207 -0.0415 -1.54 0.216 -0.0318 -1.46 -2.1221 -0.9996 3083610 TimTec1_002470 COC(=O)COc1c(C)cc(Br)cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A07 compound treatment 0.3 0.0515 1.92 0.285 0.0372 1.7 2.5578 0.9983 3210674 TimTec1_002471 Oc1cc(=O)n(n2c(=O)cc(O)n(c3ccccc3)c2=S)c(=S)n1c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A08 compound treatment 0.245 -0.0035 -0.13 0.238 -0.00983 -0.45 -0.4104 -0.8757 1664815 TimTec1_002472 Cn1c(Cl)c(CN)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A09 compound treatment 0.276 0.0275 1.02 0.269 0.0212 0.97 1.4086 0.9996 3083613 TimTec1_002473 CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n3c1ccc4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A10 compound treatment 0.247 -0.0015 -0.06 0.249 0.00117 0.05 -0.0017 -0.0217 3210675 TimTec1_002474 COc1ccc2ccccc2c1/C=N/c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A11 compound treatment 0.234 -0.0145 -0.54 0.233 -0.0148 -0.68 -0.8616 -0.9935 3210676 TimTec1_002475 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C/NCCC3=CCCCC3)/C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A12 compound treatment 0.266 0.0175 0.65 0.266 0.0182 0.83 1.0484 0.9926 3083616 TimTec1_002476 CCn1c2ccccc2c3cc(/C=N/c4cccc(C#N)c4)ccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A13 compound treatment 0.248 -5.0E-4 -0.02 0.24 -0.00783 -0.36 -0.2668 -0.7428 1250862 TimTec1_002477 CC(N1C(=O)c2ccccc2C1=O)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A14 compound treatment 0.242 -0.0065 -0.24 0.236 -0.0118 -0.54 -0.5541 -0.9339 1382898 TimTec1_002478 NC(=O)c1cccc(c1)N2C(=O)c3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A15 compound treatment 0.284 0.0355 1.32 0.269 0.0212 0.97 1.619 0.9884 3210677 TimTec1_002479 Cc1ccc(C(=O)c2ccn(n2)C(=O)c3ccc(F)cc3)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A16 compound treatment 0.262 0.0135 0.5 0.245 -0.00283 -0.13 0.2633 0.5077 3083617 TimTec1_002480 COc1cc(OC)c(/C=N/O)cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A17 compound treatment 0.231 -0.0175 -0.65 0.227 -0.0208 -0.95 -1.1348 -0.9826 3210678 TimTec1_002481 Clc1cc(NC(=O)C2CC2)ccc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A18 compound treatment 0.251 0.0025 0.09 0.246 -0.00183 -0.08 0.0064 0.0511 3210679 TimTec1_002482 Cc1c(Cc2ccccc2)sc(/N=C/c3ccc4ccccc4c3)c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A19 compound treatment 0.273 0.0245 0.91 0.248 1.67E-4 0.01 0.6498 0.713 3083619 TimTec1_002483 CCOc1ccc(/N=C\2/C(=O)Nc3ccc(C)c(Br)c23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A20 compound treatment 0.216 -0.0325 -1.21 0.214 -0.0338 -1.55 -1.9502 -0.9925 1596328 TimTec1_002484 Oc1ccc(cc1)C2N(CCN2c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A21 compound treatment 0.22 -0.0285 -1.06 0.224 -0.0238 -1.09 -1.5212 -0.9999 3210680 TimTec1_002485 CCN(CC)c1ccc(/C=N/c2ccc(Br)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A22 compound treatment 0.234 -0.0145 -0.54 0.239 -0.00883 -0.4 -0.6674 -0.9899 3210681 TimTec1_002486 CCc1c(O)nc(SCC(=O)NC(C)(C)C)n(c2ccc(F)cc2)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A23 mock treatment 0.237 -0.0115 -0.43 0.223 -0.0248 -1.14 -1.1065 -0.9108 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 A24 mock treatment 0.205 -0.0435 -1.62 0.173 -0.0748 -3.43 -3.5669 -0.9413 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B01 compound treatment 0.242 -0.0065 -0.24 0.232 -0.0158 -0.72 -0.6836 -0.8945 3210682 TimTec1_002487 CCc1n[nH]c(=O)n1Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B02 compound treatment 0.251 0.0025 0.09 0.249 0.00117 0.05 0.1035 0.9654 1134528 TimTec1_002488 Clc1cccc(NC(=O)NCCN2Cc3ccccc3C2=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B03 compound treatment 0.255 0.0065 0.24 0.251 0.00317 0.14 0.2735 0.9701 1695505 TimTec1_002489 COC(=O)c1ccccc1NC(=O)c2c(C)nc3ccccn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B04 compound treatment 0.259 0.0105 0.39 0.257 0.00917 0.42 0.5729 0.9994 1061354 TimTec1_002490 OC(=O)CCCN1C(=O)c2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B05 compound treatment 0.262 0.0135 0.5 0.26 0.0122 0.56 0.749 0.9987 3210683 TimTec1_002491 C/C(=N\n1cnnc1)/c2ccc(cc2)n3cnnn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B06 compound treatment 0.254 0.0055 0.2 0.253 0.00517 0.24 0.3119 0.9974 1660739 TimTec1_002492 Clc1cccc(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B07 compound treatment 0.263 0.0145 0.54 0.259 0.0112 0.51 0.7429 0.9996 1742832 TimTec1_002493 CCOC(=O)N(C)CCc1cc2OCOc2cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B08 compound treatment 0.264 0.0155 0.58 0.262 0.0142 0.65 0.8663 0.9983 3083672 TimTec1_002494 Cc1ccc2nc(=S)nc(c3ccccc3)n2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B09 compound treatment 0.333 0.0845 3.14 0.322 0.0742 3.4 4.6237 0.9993 3210684 TimTec1_002495 N=C1S/C(=C\2/C(=O)NN(C2=O)c3ccccc3)/SC=C1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B10 compound treatment 0.257 0.0085 0.32 0.256 0.00817 0.37 0.488 0.9965 1574189 TimTec1_002496 COc1ccc(cc1)C(C#N)N2N=C(C)CC2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B11 compound treatment 0.261 0.0125 0.46 0.256 0.00817 0.37 0.5932 0.9942 3083674 TimTec1_002497 O=C1NN=C(CC(N1)c2ccco2)c3cc4ccccc4oc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B12 compound treatment 0.257 0.0085 0.32 0.257 0.00917 0.42 0.5203 0.9902 1539134 TimTec1_002498 Sc1nc2cc(ccc2s1)C(=O)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B13 compound treatment 0.267 0.0185 0.69 0.259 0.0112 0.51 0.8481 0.9893 3083676 TimTec1_002499 OCc1cn(nn1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B14 compound treatment 0.261 0.0125 0.46 0.256 0.00817 0.37 0.5932 0.9942 1459359 TimTec1_002500 Clc1ccc(CCN2CC(CC2=O)C(=O)OCC(=O)c3ccc(Cl)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B15 compound treatment 0.259 0.0105 0.39 0.257 0.00917 0.42 0.5729 0.9994 1402941 TimTec1_002501 CN(C)Cc1nnnn1CCn2nnnc2CN(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B16 compound treatment 0.298 0.0495 1.84 0.29 0.0422 1.93 2.6671 0.9997 3210801 TimTec1_002502 Cc1ccc(C(=O)COC(=O)c2ccc(cc2)n3cnnn3)c(C)c1.Cc1ccc(C)c(c1)C(=O)COC(=O)c2ccc(cc2)n3cnnn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B17 compound treatment 0.272 0.0235 0.87 0.268 0.0202 0.92 1.271 0.9996 3083678 TimTec1_002503 COC(=O)c1c(C)c(C)[nH]c(=O)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B18 compound treatment 0.252 0.0035 0.13 0.257 0.00917 0.42 0.3888 0.8848 1544714 TimTec1_002504 CCOc1ccc(c2ccccc12)S(=O)(=O)NCC3CCCO3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B19 compound treatment 0.255 0.0065 0.24 0.253 0.00517 0.24 0.3382 0.9999 1721791 TimTec1_002505 CC(C)C(C)(NC(=O)c1cccnc1Oc2ccc(Cl)cc2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B20 compound treatment 0.256 0.0075 0.28 0.255 0.00717 0.33 0.4293 0.9967 1358324 TimTec1_002506 CCOC(=O)CN(C)c1nc(cs1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B21 compound treatment 0.259 0.0105 0.39 0.26 0.0122 0.56 0.6701 0.9849 1160634 TimTec1_002507 O=C(NCc1nc(cs1)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B22 compound treatment 0.272 0.0235 0.87 0.272 0.0242 1.11 1.4005 0.9932 1033354 TimTec1_002508 O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B23 mock treatment 0.257 0.0085 0.32 0.255 0.00717 0.33 0.4556 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 B24 mock treatment 0.241 -0.0075 -0.28 0.243 -0.00483 -0.22 -0.3537 -0.9934 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C01 compound treatment 0.301 0.0525 1.95 0.309 0.0612 2.8 3.3611 0.9845 1317591 TimTec1_002509 Brc1ccccc1OCc2ccc(o2)C(=O)Nc3ccc(I)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C02 compound treatment 0.244 -0.0045 -0.17 0.243 -0.00483 -0.22 -0.2748 -0.9905 3210802 TimTec1_002510 Oc1ccc(Br)cc1/C=N/CCC2=CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C03 compound treatment 0.232 -0.0165 -0.61 0.239 -0.00883 -0.4 -0.72 -0.9795 3083683 TimTec1_002511 COC(=O)c1ccc(cc1)n2nnnc2SCC(=O)NC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C04 compound treatment 0.327 0.0785 2.92 0.327 0.0792 3.62 4.6277 0.9942 3210803 TimTec1_002512 O=C(Nc1nccs1)/C=C/c2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C05 compound treatment 0.243 -0.0055 -0.2 0.243 -0.00483 -0.22 -0.3011 -0.9992 1542712 TimTec1_002513 CCOc1ccc(NC(=O)CSc2nnnn2CC(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C06 compound treatment 0.248 -5.0E-4 -0.02 0.248 1.67E-4 0.01 -0.0078 -0.3857 3083686 TimTec1_002514 COc1cc(/C=N/O)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C07 compound treatment 0.282 0.0335 1.25 0.274 0.0262 1.2 1.7283 0.9998 1452827 TimTec1_002515 O=C(CSc1nc2scc(c3cccs3)c2c(=O)n1c4ccccc4)NCc5ccco5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C08 compound treatment 0.255 0.0065 0.24 0.255 0.00717 0.33 0.403 0.9887 1593834 TimTec1_002516 OCc1ccccc1CN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C09 compound treatment 0.249 5.0E-4 0.02 0.246 -0.00183 -0.08 -0.0462 -0.5374 1361213 TimTec1_002517 COC(=O)c1cc(c(C)o1)c2cncnc2c3ccc(OC)c(C)c3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C10 compound treatment 0.252 0.0035 0.13 0.253 0.00517 0.24 0.2593 0.9604 3210804 TimTec1_002518 COc1ccc2ccccc2c1/C=N/c3cccc(CO)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C11 compound treatment 0.304 0.0555 2.06 0.301 0.0532 2.43 3.181 0.9966 1240365 TimTec1_002519 Clc1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C12 compound treatment 0.253 0.0045 0.17 0.252 0.00417 0.19 0.2533 0.9979 3083730 TimTec1_002520 Cc1cc(C)cc(/N=C/c2ccc(C#N)cc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C13 compound treatment 0.241 -0.0075 -0.28 0.237 -0.0108 -0.5 -0.548 -0.9629 3083732 TimTec1_002521 N/C(=C\C(=O)c1ccc(Br)cc1)/C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C14 compound treatment 0.245 -0.0035 -0.13 0.245 -0.00283 -0.13 -0.1838 -1.0 3210805 TimTec1_002522 COc1cc(/C=N/c2cc(C)ccc2C)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C15 compound treatment 0.237 -0.0115 -0.43 0.241 -0.00683 -0.31 -0.5237 -0.9882 3210806 TimTec1_002523 CN1CCN(CC1)C(=O)c2ccccc2NC(=O)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C16 compound treatment 0.309 0.0605 2.25 0.307 0.0592 2.71 3.5068 0.9957 1638681 TimTec1_002524 Ic1ccc(NC(=O)c2ccccc2C(=O)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C17 compound treatment 0.252 0.0035 0.13 0.251 0.00317 0.14 0.1946 0.9986 3083735 TimTec1_002525 Cc1ccsc1/C=N/c2c(C)cc(C)cc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C18 compound treatment 0.255 0.0065 0.24 0.254 0.00617 0.28 0.3706 0.997 3210807 TimTec1_002526 CC(=O)N/C(=C/c1ccccc1)/C(=O)N2CCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C19 compound treatment 0.272 0.0235 0.87 0.272 0.0242 1.11 1.4005 0.9932 3210808 TimTec1_002527 CCn1c2ccccc2c3cc(/C=N/c4ccc(OC)cc4)ccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C20 compound treatment 0.258 0.0095 0.35 0.259 0.0112 0.51 0.6114 0.9837 3083737 TimTec1_002528 COc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C21 compound treatment 0.248 -5.0E-4 -0.02 0.249 0.00117 0.05 0.0246 0.4353 3210809 TimTec1_002529 COc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C22 compound treatment 0.252 0.0035 0.13 0.249 0.00117 0.05 0.1298 0.9226 3083739 TimTec1_002530 CC1=C(CNC(=S)N1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C23 mock treatment 0.24 -0.0085 -0.32 0.238 -0.00983 -0.45 -0.5419 -0.985 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 C24 mock treatment 0.236 -0.0125 -0.46 0.238 -0.00983 -0.45 -0.6471 -0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D01 compound treatment 0.245 -0.0035 -0.13 0.248 1.67E-4 0.01 -0.0867 -0.6645 3210810 TimTec1_002531 CCCc1nncn1NC(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D02 compound treatment 0.253 0.0045 0.17 0.254 0.00617 0.28 0.318 0.9688 1545647 TimTec1_002532 CCC1=NCC(=O)Nc2ccc(Cl)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D03 compound treatment 0.361 0.113 4.18 0.369 0.121 5.55 6.8818 0.9903 3210811 TimTec1_002533 O=C/1Nc2ccccc2\C1=N\N3C(=O)CC(=O)CC3=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D04 compound treatment 0.25 0.0015 0.06 0.254 0.00617 0.28 0.2391 0.8308 1629795 TimTec1_002534 O=C(COc1ccccc1C#N)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D05 compound treatment 0.26 0.0115 0.43 0.262 0.0142 0.65 0.7611 0.9796 1595606 TimTec1_002535 Cc1cc(C)n(CNc2c(C)n(C)n(c3ccccc3)c2=O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D06 compound treatment 0.252 0.0035 0.13 0.251 0.00317 0.14 0.1946 0.9986 1277145 TimTec1_002536 CC1=NN(C(=O)Cc2ccccc2)C(C)(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D07 compound treatment 0.259 0.0105 0.39 0.256 0.00817 0.37 0.5406 0.9998 3210812 TimTec1_002537 CC(=O)OC1=NN(N(=C1)O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D08 compound treatment 0.252 0.0035 0.13 0.254 0.00617 0.28 0.2917 0.9382 3210813 TimTec1_002538 CCCc1ccc(OCCNC(=O)c2ccc3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D09 compound treatment 0.25 0.0015 0.06 0.246 -0.00183 -0.08 -0.0199 -0.1975 1241793 TimTec1_002539 CCOC(=O)Cn1c2CCC(Cc2sc1=N)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D10 compound treatment 0.252 0.0035 0.13 0.252 0.00417 0.19 0.227 0.9826 1587827 TimTec1_002540 OC(=O)CC1(CC(=O)NCc2ccc3OCOc3c2)CCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D11 compound treatment 0.256 0.0075 0.28 0.254 0.00617 0.28 0.3969 1.0 3083745 TimTec1_002541 Clc1ccc(CNC(=C(C#N)C#N)Nc2ccccc2)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D12 compound treatment 0.253 0.0045 0.17 0.255 0.00717 0.33 0.3504 0.9512 1378435 TimTec1_002542 CCCC(O)(CCC)C(=O)NN1CCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D13 compound treatment 0.289 0.0405 1.51 0.272 0.0242 1.11 1.8476 0.9885 1537190 TimTec1_002543 CCCC(=O)n1c(=O)oc2cc(Br)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D14 compound treatment 0.255 0.0065 0.24 0.257 0.00917 0.42 0.4677 0.9657 3083789 TimTec1_002544 COc1ccc(C#N)c(c1)S(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D15 compound treatment 0.248 -5.0E-4 -0.02 0.251 0.00317 0.14 0.0894 0.6114 3241 TimTec1_002545 CN1CCCN=C1/C=C/c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D16 compound treatment 0.283 0.0345 1.28 0.283 0.0352 1.61 2.0459 0.9937 3083792 TimTec1_002546 CNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(OCC(F)(F)F)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D17 compound treatment 0.258 0.0095 0.35 0.259 0.0112 0.51 0.6114 0.9837 1551509 TimTec1_002547 C(N1CCOCC1)c2ccc(cc2)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D18 compound treatment 0.256 0.0075 0.28 0.256 0.00817 0.37 0.4617 0.9896 3210815 TimTec1_002548 CCC1(C)OC(=O)N2CCc3ccccc3C21C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D19 compound treatment 0.283 0.0345 1.28 0.281 0.0332 1.52 1.9812 0.9965 1026666 TimTec1_002549 Clc1ccccc1NC(=O)Nc2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D20 compound treatment 0.241 -0.0075 -0.28 0.237 -0.0108 -0.5 -0.548 -0.9629 3083794 TimTec1_002550 Oc1cc(n[nH]1)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D21 compound treatment 0.319 0.0705 2.62 0.32 0.0722 3.3 4.1907 0.9934 1273445 TimTec1_002551 CC(=O)Nc1cc2OCCOc2cc1C(=O)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D22 compound treatment 0.25 0.0015 0.06 0.248 1.67E-4 0.01 0.0448 0.7964 1411171 TimTec1_002552 OCCN1CCN(CC1)S(=O)(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D23 mock treatment 0.269 0.0205 0.76 0.253 0.00517 0.24 0.7064 0.8849 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 D24 mock treatment 0.247 -0.0015 -0.06 0.239 -0.00883 -0.4 -0.3254 -0.7971 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E01 compound treatment 0.236 -0.0125 -0.46 0.244 -0.00383 -0.18 -0.4529 -0.9113 1153857 TimTec1_002553 COc1ccc(NC(=S)N2CCN(C)CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E02 compound treatment 0.31 0.0615 2.29 0.317 0.0692 3.17 3.8569 0.9872 1699449 TimTec1_002554 S=C(Nc1sc2CCCc2c1C#N)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E03 compound treatment 0.258 0.0095 0.35 0.255 0.00717 0.33 0.4819 0.9993 1502764 TimTec1_002555 Cc1cc(C)n(n1)C(Nc2cc(C)ccn2)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E04 compound treatment 0.267 0.0185 0.69 0.264 0.0162 0.74 1.01 0.9993 1627110 TimTec1_002556 OCc1ccccc1CNc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E05 compound treatment 0.256 0.0075 0.28 0.257 0.00917 0.42 0.494 0.9803 1382760 TimTec1_002557 CCC(=O)Nc1nc(NC(=O)CC)c2ncn(C(=O)CC)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E06 compound treatment 0.257 0.0085 0.32 0.257 0.00917 0.42 0.5203 0.9902 1126108 TimTec1_002558 COc1ccc(CCNc2ccc(C)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E07 compound treatment 0.625 0.377 14.0 0.57 0.322 14.75 20.3329 0.9997 3083800 TimTec1_002559 COc1ccc(cc1)C2=C3NN=C(N)N3NN2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E08 compound treatment 0.262 0.0135 0.5 0.253 0.00517 0.24 0.5223 0.941 1594522 TimTec1_002560 CNCc1cc2ccccc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E09 compound treatment 0.252 0.0035 0.13 0.251 0.00317 0.14 0.1946 0.9986 3210930 TimTec1_002561 COc1ccc(c(O)c1)c2ncnc(c2c3cscn3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E10 compound treatment 0.268 0.0195 0.73 0.266 0.0182 0.83 1.101 0.9977 3083802 TimTec1_002562 CCOC(=O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E11 compound treatment 0.294 0.0455 1.69 0.288 0.0402 1.84 2.4971 0.9991 1258628 TimTec1_002563 NS(=O)(=O)c1ccc(CCNC(=O)C(Sc2ccccc2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E12 compound treatment 0.262 0.0135 0.5 0.262 0.0142 0.65 0.8137 0.992 3083804 TimTec1_002564 CCN(CC)c1ccc(/C=N/c2cc(C)cc(C)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E13 compound treatment 0.285 0.0365 1.36 0.277 0.0292 1.34 1.9043 1.0 3210931 TimTec1_002565 Cc1ccc(O)c(c1)c2cc(no2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E14 compound treatment 0.25 0.0015 0.06 0.251 0.00317 0.14 0.142 0.9139 1565284 TimTec1_002566 CN(C)c1ccc(cc1)C2N(Cc3ccccc3)CCN2Cc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E15 compound treatment 0.262 0.0135 0.5 0.26 0.0122 0.56 0.749 0.9987 1532411 TimTec1_002567 O=C(Nc1ccccc1)Nc2ccc(cc2)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E16 compound treatment 0.352 0.103 3.85 0.345 0.0972 4.45 5.868 0.9974 1209164 TimTec1_002568 N#Cc1ccc(cc1)C2N(CCN2c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E17 compound treatment 0.26 0.0115 0.43 0.261 0.0132 0.6 0.7287 0.9859 1709264 TimTec1_002569 OC(c1cccs1)c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E18 compound treatment 0.333 0.0845 3.14 0.362 0.114 5.23 5.9187 0.9704 3210932 TimTec1_002570 CCn1c2ccccc2c3cc(/C=N/c4ccc(C)cc4O)ccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E19 compound treatment 0.254 0.0055 0.2 0.256 0.00817 0.37 0.4091 0.9597 3083808 TimTec1_002571 FC(F)(F)Oc1ccc(/N=C/c2ccc[nH]2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E20 compound treatment 0.253 0.0045 0.17 0.254 0.00617 0.28 0.318 0.9688 1012470 TimTec1_002572 COc1ccc(CNC2CCCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E21 compound treatment 0.266 0.0175 0.65 0.259 0.0112 0.51 0.8218 0.9929 3210933 TimTec1_002573 COC(=O)c1ccc(/N=C/c2ccc(Br)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E22 compound treatment 0.252 0.0035 0.13 0.252 0.00417 0.19 0.227 0.9826 1473837 TimTec1_002574 O=C(NCc1ccco1)C2CCCN2S(=O)(=O)c3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E23 mock treatment 0.253 0.0045 0.17 0.253 0.00517 0.24 0.2856 0.9856 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 E24 mock treatment 0.248 -5.0E-4 -0.02 0.238 -0.00983 -0.45 -0.3315 -0.7357 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F01 compound treatment 0.253 0.0045 0.17 0.251 0.00317 0.14 0.2209 0.9974 1161969 TimTec1_002575 CN(C)c1ccc(cc1)C2ON2[C@H]3CC[C@H](O)CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F02 compound treatment 0.211 -0.0375 -1.39 0.213 -0.0348 -1.59 -2.1141 -0.9978 1195693 TimTec1_002576 COc1ccc(cc1OC)C2OC(=O)C(=C(O)C2(C)C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F03 compound treatment 0.344 0.0955 3.55 0.327 0.0792 3.62 5.0749 0.9999 3210934 TimTec1_002577 CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)\C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F04 compound treatment 0.257 0.0085 0.32 0.259 0.0112 0.51 0.5851 0.9733 1326441 TimTec1_002578 Nc1nonc1OCc2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F05 compound treatment 0.293 0.0445 1.66 0.282 0.0342 1.56 2.2766 0.9996 3210935 TimTec1_002579 Clc1ccc(/C=N/N2C(=O)CNC2=O)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F06 compound treatment 0.405 0.157 5.82 0.39 0.142 6.51 8.7189 0.9984 3083845 TimTec1_002580 CCOC(=O)c1cc(C)[nH]c(=S)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F07 compound treatment 0.27 0.0215 0.8 0.262 0.0142 0.65 1.0241 0.9946 3210936 TimTec1_002581 CCOC(=O)C1C(C)NC(=O)N=C1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F08 compound treatment 0.269 0.0205 0.76 0.261 0.0132 0.6 0.9655 0.9932 1507322 TimTec1_002582 COc1ccc(cc1OC)C(=O)CSc2nc(N)cc(=O)[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F09 compound treatment 0.26 0.0115 0.43 0.267 0.0192 0.88 0.923 0.9454 1564107 TimTec1_002583 Oc1ccccc1SCC(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F10 compound treatment 0.264 0.0155 0.58 0.26 0.0122 0.56 0.8016 0.9999 1190430 TimTec1_002584 OC(=O)c1ccccc1c2nnn[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F11 compound treatment 0.26 0.0115 0.43 0.26 0.0122 0.56 0.6964 0.9915 3210937 TimTec1_002585 Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/3\SCC(=O)N3CC=C)cc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F12 compound treatment 0.329 0.0805 2.99 0.321 0.0732 3.35 4.4861 0.9984 3210938 TimTec1_002586 COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C1c3cccs3)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F13 compound treatment 0.274 0.0255 0.95 0.268 0.0202 0.92 1.3236 0.9999 1386655 TimTec1_002587 COc1ccc(OC)c(c1)C(=O)COc2ccccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F14 compound treatment 0.262 0.0135 0.5 0.263 0.0152 0.69 0.8461 0.9873 1502288 TimTec1_002588 Nc1nc(=O)n(CCC#N)cc1F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F15 compound treatment 0.252 0.0035 0.13 0.254 0.00617 0.28 0.2917 0.9382 1508658 TimTec1_002589 CSC1=C(C#N)C2(CCCCC2)C3=C(CCC3)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F16 compound treatment 0.282 0.0335 1.25 0.28 0.0322 1.47 1.9225 0.9965 1232692 TimTec1_002590 Cc1cccc(C)c1NC(=O)C(NC(=O)c2ccc(cc2)n3cnnn3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F17 compound treatment 0.268 0.0195 0.73 0.271 0.0232 1.06 1.2629 0.9828 3083851 TimTec1_002591 COc1ccc(Cl)cc1C(=O)NN2C(=CC(C)(C)NC2=S)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F18 compound treatment 0.271 0.0225 0.84 0.274 0.0262 1.2 1.439 0.9846 3210939 TimTec1_002592 FC(F)(F)C1(N=C(OC(=N1)N2CCOCC2)N3CCOCC3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F19 compound treatment 0.267 0.0185 0.69 0.264 0.0162 0.74 1.01 0.9993 3083853 TimTec1_002593 NC1=NC(=O)C(CC(=O)O)CS1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F20 compound treatment 0.26 0.0115 0.43 0.262 0.0142 0.65 0.7611 0.9796 1554458 TimTec1_002594 CCOC(=O)C1(CCN(CCC(=O)Nc2ccc(cc2)C(=O)OC)CC1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F21 compound treatment 0.249 5.0E-4 0.02 0.251 0.00317 0.14 0.1157 0.7913 1231612 TimTec1_002595 COc1ccc(cc1)C2C(C)C3(O)CC(C#N)(C(=O)N3)C2(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F22 compound treatment 0.248 -5.0E-4 -0.02 0.25 0.00217 0.1 0.057 0.5647 1368021 TimTec1_002596 CC(=O)N(CCOc1ccccc1)CCOc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F23 mock treatment 0.261 0.0125 0.46 0.256 0.00817 0.37 0.5932 0.9942 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 F24 mock treatment 0.248 -5.0E-4 -0.02 0.25 0.00217 0.1 0.057 0.5647 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G01 compound treatment 0.245 -0.0035 -0.13 0.247 -8.33E-4 -0.04 -0.119 -0.8774 1248844 TimTec1_002597 Cc1ccc(o1)C(=O)NCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G02 compound treatment 0.25 0.0015 0.06 0.255 0.00717 0.33 0.2715 0.8156 3210940 TimTec1_002598 S=C(Nc1ccccc1)Nc2cccc(C#N)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G03 compound treatment 0.249 5.0E-4 0.02 0.253 0.00517 0.24 0.1804 0.7603 1385961 TimTec1_002599 Cc1ccc(cc1C)C(=O)COC(=O)c2ccc(cc2)c3nnc(o3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G04 compound treatment 0.28 0.0315 1.17 0.269 0.0212 0.97 1.5138 0.9956 1301988 TimTec1_002600 Brc1c(OCC(=O)NCc2ccccc2)ccc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G05 compound treatment 0.308 0.0595 2.21 0.309 0.0612 2.8 3.5453 0.9932 3210941 TimTec1_002601 O=C1CNC(=O)N1/N=C/2\C(=O)Nc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G06 compound treatment 0.254 0.0055 0.2 0.255 0.00717 0.33 0.3767 0.9741 3083899 TimTec1_002602 COc1ccc(CCNCc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G07 compound treatment 0.261 0.0125 0.46 0.258 0.0102 0.47 0.6579 1.0 3083901 TimTec1_002603 Cc1c(C#N)c(=O)n(nc1C(=O)O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G08 compound treatment 0.269 0.0205 0.76 0.26 0.0122 0.56 0.9331 0.9881 3210942 TimTec1_002604 Cn1ccnc1C(O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G09 compound treatment 0.26 0.0115 0.43 0.259 0.0112 0.51 0.664 0.9961 3210943 TimTec1_002605 CCCN1C(=O)/C(=C\2/C(=O)N(CC=C)c3ccccc23)/SC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G10 compound treatment 0.262 0.0135 0.5 0.263 0.0152 0.69 0.8461 0.9873 3083904 TimTec1_002606 NC(=O)c1cccc(/N=C/c2ccc3ccccc3c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G11 compound treatment 0.28 0.0315 1.17 0.275 0.0272 1.24 1.708 0.9996 3210944 TimTec1_002607 CCOc1ccccc1/C=N/c2ccc(cc2)S(=O)(=O)N3CCc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G12 compound treatment 0.263 0.0145 0.54 0.269 0.0212 0.97 1.0667 0.9617 3083906 TimTec1_002608 Cc1ccc(C)c(/N=C/c2ccc(C#N)cc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G13 compound treatment 0.259 0.0105 0.39 0.249 0.00117 0.05 0.3139 0.7964 3210945 TimTec1_002609 Oc1ccccc1c2cc(n(n2)c3ccccc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G14 compound treatment 0.258 0.0095 0.35 0.259 0.0112 0.51 0.6114 0.9837 3083907 TimTec1_002610 Oc1c(Cl)cc(Cl)cc1/C=N/c2sc3CCCc3c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G15 compound treatment 0.258 0.0095 0.35 0.256 0.00817 0.37 0.5143 0.9996 1229191 TimTec1_002611 Nc1ccc(cc1)C(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G16 compound treatment 0.281 0.0325 1.21 0.276 0.0282 1.29 1.7667 0.9995 1298485 TimTec1_002612 C=CCC(CC=C)(NC(=O)c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G17 compound treatment 0.273 0.0245 0.91 0.272 0.0242 1.11 1.4268 0.9954 3210946 TimTec1_002613 CSc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G18 compound treatment 0.314 0.0655 2.44 0.315 0.0672 3.08 3.8973 0.9933 3210947 TimTec1_002614 Cc1[nH]c2ccccc2c1/C=N/c3ccc(Cl)cc3C(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G19 compound treatment 0.266 0.0175 0.65 0.26 0.0122 0.56 0.8542 0.997 3083909 TimTec1_002615 COC(=O)CSc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G20 compound treatment 0.256 0.0075 0.28 0.261 0.0132 0.6 0.6235 0.9387 1173404 TimTec1_002616 COc1ccc2ccccc2c1C(O)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G21 compound treatment 0.256 0.0075 0.28 0.255 0.00717 0.33 0.4293 0.9967 3083910 TimTec1_002617 CCN(CC)c1ccc(/N=C/c2cccs2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G22 compound treatment 0.257 0.0085 0.32 0.256 0.00817 0.37 0.488 0.9965 3210948 TimTec1_002618 CN1C(=O)/C(=C\c2c(O)c3ccccc3n(C)c2=O)/C(=O)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G23 mock treatment 0.252 0.0035 0.13 0.253 0.00517 0.24 0.2593 0.9604 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 G24 mock treatment 0.254 0.0055 0.2 0.248 1.67E-4 0.01 0.1501 0.733 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H01 compound treatment 0.207 -0.0415 -1.54 0.212 -0.0358 -1.64 -2.2516 -0.9995 1619414 TimTec1_002619 Cc1cc(no1)c2c(O)c3ccccc3n(C)c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H02 compound treatment 0.267 0.0185 0.69 0.281 0.0332 1.52 1.5604 0.9359 1650607 TimTec1_002620 CC1C(OC(=O)C2(CCCCC2)C1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H03 compound treatment 0.257 0.0085 0.32 0.258 0.0102 0.47 0.5527 0.9822 1490854 TimTec1_002621 O=COCC1OC(OC=O)C(Nc2ccccc2)C(OC=O)C1OC=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H04 compound treatment 0.284 0.0355 1.32 0.278 0.0302 1.38 1.9104 0.9997 1609235 TimTec1_002622 Fc1ccc(CSc2nc3cccnc3[nH]2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H05 compound treatment 0.265 0.0165 0.61 0.262 0.0142 0.65 0.8926 0.9996 3211069 TimTec1_002623 C/C(=N\N1C(=O)CC(=O)NC1=S)/c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H06 compound treatment 0.253 0.0045 0.17 0.257 0.00917 0.42 0.4151 0.9187 3083914 TimTec1_002624 CC1SC(NC1=O)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H07 compound treatment 0.256 0.0075 0.28 0.254 0.00617 0.28 0.3969 1.0 1308303 TimTec1_002625 CCOC(=O)c1cccc(c1)C(=O)NC2=CC(=O)CC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H08 compound treatment 0.258 0.0095 0.35 0.254 0.00617 0.28 0.4495 0.9938 3083916 TimTec1_002626 COc1ccc(cc1)C(=O)c2nocc2C(=O)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H09 compound treatment 0.292 0.0435 1.62 0.291 0.0432 1.98 2.5417 0.9951 1428534 TimTec1_002627 O=c1oc2ccccc2cc1C3=NC(=S)NC(C3)c4ccc5OCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H10 compound treatment 0.274 0.0255 0.95 0.279 0.0312 1.43 1.6797 0.9803 1170391 TimTec1_002628 NC(=O)CN1C(=O)c2cccc3cccc1c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H11 compound treatment 0.263 0.0145 0.54 0.262 0.0142 0.65 0.84 0.9958 3211070 TimTec1_002629 S=c1nc(/N=C/c2ccco2)cc(/N=C/c3ccco3)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H12 compound treatment 0.26 0.0115 0.43 0.262 0.0142 0.65 0.7611 0.9796 1704493 TimTec1_002630 Cc1cc2OC(=C(C#N)C3(C(=O)N(CC(=O)O)c4ccccc43)c2c(=O)o1)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H13 compound treatment 0.246 -0.0025 -0.09 0.24 -0.00783 -0.36 -0.3194 -0.8619 1554929 TimTec1_002631 O=C(Oc1cccnc1)c2cc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H14 compound treatment 0.251 0.0025 0.09 0.256 0.00817 0.37 0.3302 0.8569 1212825 TimTec1_002632 Cc1[nH]c2ccccc2c1CCN3C(=O)CCC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H15 compound treatment 0.252 0.0035 0.13 0.246 -0.00183 -0.08 0.0327 0.2111 1243289 TimTec1_002633 COC(=O)C1=C(C)N(C(=O)C1)c2ccc(cc2)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H16 compound treatment 0.254 0.0055 0.2 0.261 0.0132 0.6 0.5709 0.8968 1495691 TimTec1_002634 CC(O)(C#CCN1CCCCC1)C2CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H17 compound treatment 0.28 0.0315 1.17 0.28 0.0322 1.47 1.8699 0.9936 1405861 TimTec1_002635 CCN(CC)C(=O)CSc1nc2CCCCc2cc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H18 compound treatment 0.248 -5.0E-4 -0.02 0.251 0.00317 0.14 0.0894 0.6114 3083985 TimTec1_002636 CCc1c(C)nc(N)nc1S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H19 compound treatment 0.261 0.0125 0.46 0.26 0.0122 0.56 0.7227 0.996 1285150 TimTec1_002637 CC1(O)NC(=O)C2(C#N)C(C#N)(C#N)C21c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H20 compound treatment 0.256 0.0075 0.28 0.26 0.0122 0.56 0.5912 0.9489 1677097 TimTec1_002638 Cc1nc(C(=O)N)c(N)n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H21 compound treatment 0.249 5.0E-4 0.02 0.247 -8.33E-4 -0.04 -0.0138 -0.3258 1163471 TimTec1_002639 COC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H22 compound treatment 0.253 0.0045 0.17 0.255 0.00717 0.33 0.3504 0.9512 3083989 TimTec1_002640 Cc1cc(C)n(CNc2nccs2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H23 mock treatment 0.254 0.0055 0.2 0.258 0.0102 0.47 0.4738 0.9318 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 H24 mock treatment 0.259 0.0105 0.39 0.25 0.00217 0.1 0.3463 0.8594 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I01 compound treatment 0.244 -0.0045 -0.17 0.25 0.00217 0.1 -0.0482 -0.2478 1611631 TimTec1_002641 O=C(Nc1ccccc1)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I02 compound treatment 0.254 0.0055 0.2 0.254 0.00617 0.28 0.3443 0.9875 1685279 TimTec1_002642 COc1ccc(cc1I)C(=O)Nc2ccc(Oc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I03 compound treatment 0.252 0.0035 0.13 0.257 0.00917 0.42 0.3888 0.8848 1725903 TimTec1_002643 CCOC(=O)C(C)Oc1ccc2oc(=O)cc(C)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I04 compound treatment 0.341 0.0925 3.44 0.34 0.0922 4.22 5.4169 0.9949 1725678 TimTec1_002644 Cc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I05 compound treatment 0.268 0.0195 0.73 0.273 0.0252 1.15 1.3277 0.9751 3083992 TimTec1_002645 CN(C)c1ccc(/C=N/N2C(=O)CNC2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I06 compound treatment 0.259 0.0105 0.39 0.264 0.0162 0.74 0.7996 0.9554 3211071 TimTec1_002646 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(O)C(O)C(=O)O[C@H]2C[C@H](C)CC[C@H]2C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I07 compound treatment 0.256 0.0075 0.28 0.259 0.0112 0.51 0.5588 0.9594 1159008 TimTec1_002647 O=C(CSc1ncnc2[nH]cnc12)NCCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I08 compound treatment 0.27 0.0215 0.8 0.264 0.0162 0.74 1.0889 0.9993 3211072 TimTec1_002648 Cc1ccc(/N=C/c2ccc(Br)s2)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I09 compound treatment 0.308 0.0595 2.21 0.309 0.0612 2.8 3.5453 0.9932 1275751 TimTec1_002649 Cc1cccc(c1)N(CC(=O)Nc2ccc3c(c2)oc4ccccc43)S(=O)(=O)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I10 compound treatment 0.274 0.0255 0.95 0.281 0.0332 1.52 1.7445 0.9743 3083996 TimTec1_002650 COc1ccc(/N=C/c2ccc3ccccc3c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I11 compound treatment 0.274 0.0255 0.95 0.271 0.0232 1.06 1.4207 0.9984 3211073 TimTec1_002651 CC(=O)Nc1ccc(cc1)c2csc(Nc3ccccc3C)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I12 compound treatment 0.282 0.0335 1.25 0.304 0.0562 2.57 2.6996 0.9447 3083998 TimTec1_002652 Cc1cccc(/C=N/c2cccc(O)c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I13 compound treatment 0.285 0.0365 1.36 0.294 0.0462 2.11 2.4547 0.9771 3083999 TimTec1_002653 O=c1n(OCc2ccccc2)c(SCc3ccccc3)nc4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I14 compound treatment 0.259 0.0105 0.39 0.26 0.0122 0.56 0.6701 0.9849 3211074 TimTec1_002654 Cc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I15 compound treatment 0.262 0.0135 0.5 0.266 0.0182 0.83 0.9432 0.9708 3211075 TimTec1_002655 O=C(Nc1ccccc1)Nc2ccc(cc2)C(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I16 compound treatment 0.286 0.0375 1.39 0.301 0.0532 2.43 2.7076 0.9651 1270363 TimTec1_002656 Cc1ccc(cc1)S(=O)(=O)NC(CC=C)(CC=C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I17 compound treatment 0.271 0.0225 0.84 0.264 0.0162 0.74 1.1152 0.9981 3211076 TimTec1_002657 N#Cc1ccc(/C=N/c2cccc3c(\N=C\c4ccc(C#N)cc4)cccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I18 compound treatment 0.268 0.0195 0.73 0.265 0.0172 0.79 1.0687 0.9992 3084003 TimTec1_002658 NC(=O)c1ccccc1/N=C/c2ccc(O)c(O)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I19 compound treatment 0.261 0.0125 0.46 0.264 0.0162 0.74 0.8522 0.9749 3211077 TimTec1_002659 Oc1ccc(Br)cc1/C=N/Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I20 compound treatment 0.262 0.0135 0.5 0.26 0.0122 0.56 0.749 0.9987 1542526 TimTec1_002660 COc1cc(CNc2ccccc2)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I21 compound treatment 0.264 0.0155 0.58 0.259 0.0112 0.51 0.7692 0.9982 3211078 TimTec1_002661 N#Cc1cccc(/N=C/c2ccc3OCOc3c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I22 compound treatment 0.26 0.0115 0.43 0.263 0.0152 0.69 0.7935 0.9729 1646643 TimTec1_002662 CCn1c(=O)c(C(C)Nc2ccco2)c(O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I23 mock treatment 0.261 0.0125 0.46 0.259 0.0112 0.51 0.6903 0.9989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 I24 mock treatment 0.253 0.0045 0.17 0.25 0.00217 0.1 0.1885 0.9688 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J01 compound treatment 0.249 5.0E-4 0.02 0.265 0.0172 0.79 0.5689 0.7236 1132674 TimTec1_002663 CCC1=CC(=NC(C)CN1)c2c(O)c3ccccc3n(C)c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J02 compound treatment 0.251 0.0025 0.09 0.254 0.00617 0.28 0.2654 0.8928 3084072 TimTec1_002664 OC(=O)c1ccc2nsnc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J03 compound treatment 0.256 0.0075 0.28 0.252 0.00417 0.19 0.3322 0.9828 1532331 TimTec1_002665 Fc1ccc(cc1)N2C(=S)N=C(CC23C(=O)Nc4ccccc43)c5ccc(F)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J04 compound treatment 0.248 -5.0E-4 -0.02 0.25 0.00217 0.1 0.057 0.5647 3084075 TimTec1_002666 FC(F)(F)c1ccc2n(Cc3ccccc3)c(=O)c(=O)[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J05 compound treatment 0.259 0.0105 0.39 0.26 0.0122 0.56 0.6701 0.9849 1654151 TimTec1_002667 O=c1ccn(CN2CCCCC2)c(=O)n1CN3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J06 compound treatment 0.262 0.0135 0.5 0.265 0.0172 0.79 0.9109 0.9766 1571522 TimTec1_002668 CN1NC2(CCCCC2)N(C1=S)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J07 compound treatment 0.251 0.0025 0.09 0.248 1.67E-4 0.01 0.0711 0.7626 3211079 TimTec1_002669 Oc1ccccc1/C=N/c2cc(ccc2O)S(=O)(=O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J08 compound treatment 0.253 0.0045 0.17 0.253 0.00517 0.24 0.2856 0.9856 1488051 TimTec1_002670 CC1CN(CCc2ccccc2)CCC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J09 compound treatment 0.257 0.0085 0.32 0.256 0.00817 0.37 0.488 0.9965 3211080 TimTec1_002671 C/C(=N\Cc1ccccn1)/c2c(O)c3ccccc3n(c4ccccc4)c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J10 compound treatment 0.254 0.0055 0.2 0.254 0.00617 0.28 0.3443 0.9875 3084079 TimTec1_002672 OCCNC(=O)C1=NN=CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J11 compound treatment 0.258 0.0095 0.35 0.258 0.0102 0.47 0.579 0.9908 1667994 TimTec1_002673 CC1=NN(C(=O)c2ccco2)C(O)(C1)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J12 compound treatment 0.251 0.0025 0.09 0.254 0.00617 0.28 0.2654 0.8928 3211081 TimTec1_002674 OC(=O)CCCNC1=NC2(CCCC2)Cc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J13 compound treatment 0.254 0.0055 0.2 0.26 0.0122 0.56 0.5386 0.9075 3209107 TimTec1_002675 NC(CCCNC(=N)N)C(=O)O.OC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J14 compound treatment 0.255 0.0065 0.24 0.256 0.00817 0.37 0.4354 0.9777 1608879 TimTec1_002676 NN(C(=O)C1CCCCC1)c2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J15 compound treatment 0.258 0.0095 0.35 0.254 0.00617 0.28 0.4495 0.9938 1250350 TimTec1_002677 COc1cc(NC(=O)C)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J16 compound treatment 0.247 -0.0015 -0.06 0.26 0.0122 0.56 0.3545 0.6331 1447389 TimTec1_002678 Cn1cnc2n(Cc3ccccc3)c(=O)[nH]c(=S)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J17 compound treatment 0.266 0.0175 0.65 0.262 0.0142 0.65 0.9189 1.0 1466505 TimTec1_002679 COCc1cc(O)n2c3ccccc3nc2c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J18 compound treatment 0.278 0.0295 1.1 0.275 0.0272 1.24 1.6554 0.998 1156263 TimTec1_002680 COC(=O)CC1(O)N(C(=CC1=O)c2ccc(C)cc2)c3ccccc3OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J19 compound treatment 0.252 0.0035 0.13 0.252 0.00417 0.19 0.227 0.9826 1548500 TimTec1_002681 CC1(C)CCCC(C)(C)N1OC(=O)c2ccc(N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J20 compound treatment 0.336 0.0875 3.25 0.326 0.0782 3.58 4.8321 0.9989 3084081 TimTec1_002682 OC1(NN=C2C=Cc3ccccc3N21)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J21 compound treatment 0.256 0.0075 0.28 0.257 0.00917 0.42 0.494 0.9803 1276203 TimTec1_002683 CNC(C)c1ccc2OCCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J22 compound treatment 0.252 0.0035 0.13 0.25 0.00217 0.1 0.1622 0.991 3084083 TimTec1_002684 C(N1CCNCC1)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J23 mock treatment 0.255 0.0065 0.24 0.253 0.00517 0.24 0.3382 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 J24 mock treatment 0.251 0.0025 0.09 0.248 1.67E-4 0.01 0.0711 0.7626 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K01 compound treatment 0.23 -0.0185 -0.69 0.243 -0.00483 -0.22 -0.6431 -0.8896 3209108 TimTec1_002685 COc1ccc(cc1)C(=O)CSc2nc3cc(C)ccc3cc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K02 compound treatment 0.255 0.0065 0.24 0.259 0.0112 0.51 0.5325 0.9415 3084085 TimTec1_002686 CCOc1ccc(/C=N/c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K03 compound treatment 0.258 0.0095 0.35 0.25 0.00217 0.1 0.32 0.8719 1247383 TimTec1_002687 O=C(CSc1nc2cccnc2[nH]1)NC3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K04 compound treatment 0.255 0.0065 0.24 0.258 0.0102 0.47 0.5001 0.9534 3084087 TimTec1_002688 COc1cccc(/N=C/c2ccc(O)cc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K05 compound treatment 0.293 0.0445 1.66 0.296 0.0482 2.21 2.7299 0.99 3209109 TimTec1_002689 O=C1CNC(=O)N1/N=C/c2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K06 compound treatment 0.252 0.0035 0.13 0.256 0.00817 0.37 0.3565 0.9003 1409322 TimTec1_002690 OCc1ccccc1CNCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K07 compound treatment 0.259 0.0105 0.39 0.271 0.0232 1.06 1.0262 0.9079 3209110 TimTec1_002691 CCOC(=O)Cc1c(C)[nH]c2c(c(C)nn2c1=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K08 compound treatment 0.262 0.0135 0.5 0.263 0.0152 0.69 0.8461 0.9873 3084090 TimTec1_002692 Cc1ccc(/N=C/c2c[nH]c3ccccc23)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K09 compound treatment 0.295 0.0465 1.73 0.299 0.0512 2.34 2.8796 0.9889 1411633 TimTec1_002693 CC(NC(=O)c1cc(oc1C)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K10 compound treatment 0.287 0.0385 1.43 0.29 0.0422 1.93 2.3778 0.9892 3084091 TimTec1_002694 NC(=O)c1ccccc1/N=C/c2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K11 compound treatment 0.259 0.0105 0.39 0.259 0.0112 0.51 0.6377 0.9912 3209111 TimTec1_002695 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K12 compound treatment 0.259 0.0105 0.39 0.263 0.0152 0.69 0.7672 0.9629 3084157 TimTec1_002696 Cc1cc(C)cc(/N=C/c2cccc(OCc3ccccc3)c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K13 compound treatment 0.258 0.0095 0.35 0.266 0.0182 0.83 0.838 0.9273 3084159 TimTec1_002697 COC(=O)CNC(=O)c1cc[nH]n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K14 compound treatment 0.257 0.0085 0.32 0.257 0.00917 0.42 0.5203 0.9902 1444507 TimTec1_002698 Cc1ccc(s1)C2N(CCN2c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K15 compound treatment 0.259 0.0105 0.39 0.258 0.0102 0.47 0.6053 0.9962 3084162 TimTec1_002699 FC(F)(F)Oc1ccc(/N=C/c2ccc(Br)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K16 compound treatment 0.265 0.0165 0.61 0.266 0.0182 0.83 1.0221 0.9888 1914768 TimTec1_002700 C(=N/c1cccc2c(\N=C\c3ccco3)cccc12)\c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K17 compound treatment 0.272 0.0235 0.87 0.27 0.0222 1.01 1.3357 0.9972 3209112 TimTec1_002701 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)Nc4ccccc4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K18 compound treatment 0.264 0.0155 0.58 0.262 0.0142 0.65 0.8663 0.9983 3209113 TimTec1_002702 Cc1ccc(/C=N/c2ccccc2OCc3ccccc3)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K19 compound treatment 0.263 0.0145 0.54 0.26 0.0122 0.56 0.7753 0.9999 3084165 TimTec1_002703 N#Cc1cc2CCCc2nc1SCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K20 compound treatment 0.25 0.0015 0.06 0.252 0.00417 0.19 0.1744 0.8772 1504412 TimTec1_002704 Fc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K21 compound treatment 0.261 0.0125 0.46 0.259 0.0112 0.51 0.6903 0.9989 3084167 TimTec1_002705 CCOc1ccccc1/C=N/c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K22 compound treatment 0.256 0.0075 0.28 0.255 0.00717 0.33 0.4293 0.9967 3209114 TimTec1_002706 COc1cccc(c1)C(=O)N2N=C(O)C=CC2=C(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K23 mock treatment 0.261 0.0125 0.46 0.258 0.0102 0.47 0.6579 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 K24 mock treatment 0.238 -0.0105 -0.39 0.251 0.00317 0.14 -0.1736 -0.4168 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L01 compound treatment 0.244 -0.0045 -0.17 0.256 0.00817 0.37 0.1461 0.3565 1454168 TimTec1_002707 COc1cc(OC)nc(n1)C(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L02 compound treatment 0.258 0.0095 0.35 0.259 0.0112 0.51 0.6114 0.9837 1013845 TimTec1_002708 OC(=O)C1CCN(CC1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L03 compound treatment 0.289 0.0405 1.51 0.286 0.0382 1.75 2.3009 0.9973 3084171 TimTec1_002709 SC1=N(/N=C/2\C(=O)Nc3ccccc23)C(=O)C4C=CC=CC4=N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L04 compound treatment 0.239 -0.0095 -0.35 0.241 -0.00683 -0.31 -0.4711 -0.9982 1202182 TimTec1_002710 NC1=C(C#N)C(=C(C#N)C#N)C(O1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L05 compound treatment 0.253 0.0045 0.17 0.259 0.0112 0.51 0.4799 0.892 1265429 TimTec1_002711 CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c3ccc(F)cc3O)C(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L06 compound treatment 0.26 0.0115 0.43 0.265 0.0172 0.79 0.8583 0.9591 3084174 TimTec1_002712 COc1ccc(cc1OC)/C(=N/O)/c2nccc3cc(OC)c(OC)cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L07 compound treatment 0.346 0.0975 3.63 0.334 0.0862 3.95 5.3541 0.9991 1260243 TimTec1_002713 S=c1nc(c2ccco2)c3c(=S)[nH]c(=S)[nH]c3[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L08 compound treatment 0.253 0.0045 0.17 0.253 0.00517 0.24 0.2856 0.9856 1599464 TimTec1_002714 CC1CN(CCC1=O)C2CC(C)(C)NC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L09 compound treatment 0.26 0.0115 0.43 0.26 0.0122 0.56 0.6964 0.9915 1384770 TimTec1_002715 CN(C)c1ccc(cc1)C2OCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L10 compound treatment 0.26 0.0115 0.43 0.261 0.0132 0.6 0.7287 0.9859 1608667 TimTec1_002716 NC(=O)CNC(=O)c1ccc2ccccc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L11 compound treatment 0.276 0.0275 1.02 0.275 0.0272 1.24 1.6028 0.9953 3209115 TimTec1_002717 COC(=O)CNS(=O)(=O)Nc1ccc(cc1)c2nc3ccc(C)cc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L12 compound treatment 0.276 0.0275 1.02 0.279 0.0312 1.43 1.7323 0.9867 1678540 TimTec1_002718 Clc1ccc2n(CCC(=O)n3c(=O)oc4cc(Cl)ccc34)c(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L13 compound treatment 0.257 0.0085 0.32 0.257 0.00917 0.42 0.5203 0.9902 1920767 TimTec1_002719 Cc1cc(c2ccco2)n(n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L14 compound treatment 0.258 0.0095 0.35 0.259 0.0112 0.51 0.6114 0.9837 3084178 TimTec1_002720 CCOC(=O)Cc1nnn[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L15 compound treatment 0.258 0.0095 0.35 0.257 0.00917 0.42 0.5466 0.9963 3209116 TimTec1_002721 Brc1ccc(cc1)C(=S)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L16 compound treatment 0.256 0.0075 0.28 0.265 0.0172 0.79 0.7531 0.9029 1354769 TimTec1_002722 CC(C)COC(=O)NCc1ccc2OCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L17 compound treatment 0.263 0.0145 0.54 0.263 0.0152 0.69 0.8724 0.9922 3209117 TimTec1_002723 Cc1ccc(cc1)[C@H]2[C@@H](C#N)[C@H](C#N)N3CCCN23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L18 compound treatment 0.256 0.0075 0.28 0.255 0.00717 0.33 0.4293 0.9967 71735 TimTec1_002724 COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L19 compound treatment 0.259 0.0105 0.39 0.258 0.0102 0.47 0.6053 0.9962 3084252 TimTec1_002725 CC1(C)OC(=O)N(C1=C)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L20 compound treatment 0.263 0.0145 0.54 0.263 0.0152 0.69 0.8724 0.9922 3084253 TimTec1_002726 CC(=O)N1C2CC(C=C2)C1(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L21 compound treatment 0.253 0.0045 0.17 0.256 0.00817 0.37 0.3828 0.9343 1279868 TimTec1_002727 CCc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L22 compound treatment 0.259 0.0105 0.39 0.261 0.0132 0.6 0.7024 0.9779 1355496 TimTec1_002728 Cc1ccc(CSCC(=O)Nc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L23 mock treatment 0.258 0.0095 0.35 0.256 0.00817 0.37 0.5143 0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 L24 mock treatment 0.251 0.0025 0.09 0.242 -0.00583 -0.27 -0.1231 -0.4353 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M01 compound treatment 0.254 0.0055 0.2 0.259 0.0112 0.51 0.5062 0.9192 1520938 TimTec1_002729 Cn1c2ccccc2c3nn(c4ccccc4)c(=O)cc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M02 compound treatment 0.281 0.0325 1.21 0.311 0.0632 2.89 2.8999 0.9251 3209118 TimTec1_002730 NS(=O)(=O)c1ccc(/N=C/c2c3ccccc3cc4ccccc24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M03 compound treatment 0.244 -0.0045 -0.17 0.247 -8.33E-4 -0.04 -0.1453 -0.8466 3084256 TimTec1_002731 CC(C)(C)c1ccc(OCCNC(=O)c2cccc(Br)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M04 compound treatment 0.313 0.0645 2.4 0.295 0.0472 2.16 3.2235 0.9986 3209119 TimTec1_002732 O=C(Nc1cccc(C#N)c1)/C=C/c2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M05 compound treatment 0.271 0.0225 0.84 0.276 0.0282 1.29 1.5037 0.9781 3084258 TimTec1_002733 Cc1ccc(cc1)N2C(SCC2=O)/C=C/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M06 compound treatment 0.256 0.0075 0.28 0.262 0.0142 0.65 0.6559 0.9289 3209120 TimTec1_002734 C=CCC1(CC=C)CCCCN1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M07 compound treatment 0.276 0.0275 1.02 0.269 0.0212 0.97 1.4086 0.9996 3209121 TimTec1_002735 Cc1nc(NCc2ccco2)c3cc(sc3n1)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M08 compound treatment 0.261 0.0125 0.46 0.258 0.0102 0.47 0.6579 1.0 3084261 TimTec1_002736 Ic1ccc(/N=C/c2ccc(C#N)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M09 compound treatment 0.257 0.0085 0.32 0.261 0.0132 0.6 0.6498 0.9546 3209238 TimTec1_002737 COc1ccc(OC)c(/C=c/2\sc3nnc(c4ccccc4Cl)n3c2=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M10 compound treatment 0.263 0.0145 0.54 0.26 0.0122 0.56 0.7753 0.9999 3084262 TimTec1_002738 COc1ccc(/N=C/c2ccccc2OCc3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M11 compound treatment 0.259 0.0105 0.39 0.256 0.00817 0.37 0.5406 0.9998 3209239 TimTec1_002739 C/C(=N/CCO)/c1c([nH]n(c2nc3ccccc3s2)c1=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M12 compound treatment 0.258 0.0095 0.35 0.26 0.0122 0.56 0.6438 0.9759 3084263 TimTec1_002740 Cc1ccccc1/C=N/c2ccccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M13 compound treatment 0.25 0.0015 0.06 0.262 0.0142 0.65 0.4981 0.7651 3209240 TimTec1_002741 COC(=O)N(C)c1ccccc1C(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M14 compound treatment 0.256 0.0075 0.28 0.26 0.0122 0.56 0.5912 0.9489 3084265 TimTec1_002742 CCCOC(=O)c1ccc(/N=C/c2ccc(C)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M15 compound treatment 0.268 0.0195 0.73 0.268 0.0202 0.92 1.1658 0.9929 1321825 TimTec1_002743 CC(Oc1ccc(Cl)cc1Cl)C(=O)NN2C(=O)c3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M16 compound treatment 0.259 0.0105 0.39 0.264 0.0162 0.74 0.7996 0.9554 3084267 TimTec1_002744 COc1cc(/C=N/c2ccc(cc2)C(=O)c3ccccc3)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M17 compound treatment 0.283 0.0345 1.28 0.292 0.0442 2.02 2.3373 0.9759 1712191 TimTec1_002745 Cc1ccc(cc1I)C(=O)Nc2ccc(Oc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M18 compound treatment 0.259 0.0105 0.39 0.264 0.0162 0.74 0.7996 0.9554 3209241 TimTec1_002746 CCCC(=O)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M19 compound treatment 0.257 0.0085 0.32 0.255 0.00717 0.33 0.4556 0.9998 3084269 TimTec1_002747 Brc1ccc(/C=N/c2ccccc2C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M20 compound treatment 0.266 0.0175 0.65 0.267 0.0192 0.88 1.0808 0.9892 1423653 TimTec1_002748 COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M21 compound treatment 0.248 -5.0E-4 -0.02 0.248 1.67E-4 0.01 -0.0078 -0.3857 3084271 TimTec1_002749 Cc1nn(C(=S)N)c(O)c1C(C(C#N)C#N)c2cccc(Cl)c2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M22 compound treatment 0.259 0.0105 0.39 0.259 0.0112 0.51 0.6377 0.9912 3209242 TimTec1_002750 NC(=O)Oc1ccc(I)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M23 mock treatment 0.255 0.0065 0.24 0.253 0.00517 0.24 0.3382 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 M24 mock treatment 0.231 -0.0175 -0.65 0.248 1.67E-4 0.01 -0.4549 -0.6988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N01 compound treatment 0.295 0.0465 1.73 0.32 0.0722 3.3 3.5595 0.9544 3083254 TimTec1_002751 Cc1cc2nnc(c3cccc4OCOc43)n2c5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N02 compound treatment 0.261 0.0125 0.46 0.256 0.00817 0.37 0.5932 0.9942 3083257 TimTec1_002752 C/C=C\1/C(C)C(C(=C(N)N1c2ccc(cc2)C(=O)N)C#N)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N03 compound treatment 0.268 0.0195 0.73 0.272 0.0242 1.11 1.2953 0.979 1231981 TimTec1_002753 Cc1ccc(cc1)C(=O)Cc2nc3ncccc3[nH]c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N04 compound treatment 0.246 -0.0025 -0.09 0.247 -8.33E-4 -0.04 -0.0927 -0.9226 1274147 TimTec1_002754 Sc1nc(CCN2C(=O)c3ccccc3C2=O)n[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N05 compound treatment 0.253 0.0045 0.17 0.259 0.0112 0.51 0.4799 0.892 3083260 TimTec1_002755 CC(=S)N1CCN(CC1)C(=S)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N06 compound treatment 0.248 -5.0E-4 -0.02 0.252 0.00417 0.19 0.1218 0.6352 1517166 TimTec1_002756 Cc1ccccc1N2C(=O)c3ccccc3NC2(C)CC(=O)NCc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N07 compound treatment 0.253 0.0045 0.17 0.256 0.00817 0.37 0.3828 0.9343 1118059 TimTec1_002757 Nn1c(=O)c(Cc2ccco2)n[nH]c1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N08 compound treatment 0.241 -0.0075 -0.28 0.249 0.00117 0.05 -0.1595 -0.5615 1361841 TimTec1_002758 CCOC(=O)C1=C(NC(=S)C(CC=C)(C#N)C1c2cccnc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N09 compound treatment 0.225 -0.0235 -0.87 0.226 -0.0218 -1.0 -1.325 -0.9978 3083263 TimTec1_002759 COC(=O)CNc1cc(C)c(cc1OC)C(O)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N10 compound treatment 0.25 0.0015 0.06 0.251 0.00317 0.14 0.142 0.9139 1187305 TimTec1_002760 CCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N11 compound treatment 0.251 0.0025 0.09 0.251 0.00317 0.14 0.1683 0.9769 1455249 TimTec1_002761 CC(=O)Oc1ccc2occ(C(=O)c3ccc(F)cc3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N12 compound treatment 0.246 -0.0025 -0.09 0.249 0.00117 0.05 -0.028 -0.2609 1149353 TimTec1_002762 COc1ccc(cc1)C(C#N)N2N=C(C)CC2(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N13 compound treatment 0.251 0.0025 0.09 0.253 0.00517 0.24 0.233 0.9168 1491757 TimTec1_002763 Clc1cccc(NC(=O)C(NC=O)c2ccccc2Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N14 compound treatment 0.251 0.0025 0.09 0.249 0.00117 0.05 0.1035 0.9654 3209243 TimTec1_002764 OC(=O)[C@@H]1CCCN1Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N15 compound treatment 0.253 0.0045 0.17 0.255 0.00717 0.33 0.3504 0.9512 3083267 TimTec1_002765 OC(=O)CCc1nnc(S)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N16 compound treatment 0.252 0.0035 0.13 0.257 0.00917 0.42 0.3888 0.8848 1446498 TimTec1_002766 O=C(NC1CCCCCCCCCCC1)c2nc[nH]n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N17 compound treatment 0.26 0.0115 0.43 0.257 0.00917 0.42 0.5992 1.0 3209244 TimTec1_002767 COc1ccc(cc1)[C@H]2[C@@H](C#N)[C@H](C#N)N3CCCN23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N18 compound treatment 0.268 0.0195 0.73 0.278 0.0302 1.38 1.4896 0.9548 1206859 TimTec1_002768 Brc1cncc(c1)C(=O)Nc2ccc(cc2)C(=O)NC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N19 compound treatment 0.248 -5.0E-4 -0.02 0.245 -0.00283 -0.13 -0.1049 -0.8003 1560261 TimTec1_002769 COc1ccc(cc1)C2NCCc3cc(OC)c(OC)cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N20 compound treatment 0.268 0.0195 0.73 0.285 0.0372 1.7 1.7162 0.9277 3209245 TimTec1_002770 CN(C)c1nc(NCc2ccccc2)nc(Nc3ccc(OC(F)(F)F)cc3)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N21 compound treatment 0.255 0.0065 0.24 0.254 0.00617 0.28 0.3706 0.997 1425208 TimTec1_002771 CN(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N22 compound treatment 0.246 -0.0025 -0.09 0.248 1.67E-4 0.01 -0.0604 -0.6469 3209246 TimTec1_002772 Nn1c(CSCc2ccccc2)nnc1CSCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N23 mock treatment 0.255 0.0065 0.24 0.249 0.00117 0.05 0.2087 0.843 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 N24 mock treatment 0.25 0.0015 0.06 0.239 -0.00883 -0.4 -0.2465 -0.6038 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O01 compound treatment 0.224 -0.0245 -0.91 0.244 -0.00383 -0.18 -0.7685 -0.8281 3083272 TimTec1_002773 C(Nc1nonc1c2ncon2)n3nnc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O02 compound treatment 0.253 0.0045 0.17 0.256 0.00817 0.37 0.3828 0.9343 3209247 TimTec1_002774 O=C(NC1CCCCC1)/C=C/c2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O03 compound treatment 0.267 0.0185 0.69 0.263 0.0152 0.69 0.9776 1.0 3209248 TimTec1_002775 O=C(NCCc1ccccc1)c2c(/N=C/3\C(=O)Nc4ccccc34)sc5CCCCc25 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O04 compound treatment 0.288 0.0395 1.47 0.282 0.0342 1.56 2.1451 0.9995 1468374 TimTec1_002776 OC(c1cccs1)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O05 compound treatment 0.255 0.0065 0.24 0.26 0.0122 0.56 0.5649 0.9302 3209249 TimTec1_002777 Clc1ccc(Cl)c(c1)N2C(SCC2=O)/C=C/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O06 compound treatment 0.25 0.0015 0.06 0.257 0.00917 0.42 0.3362 0.7941 1257164 TimTec1_002778 Cc1ccc(C)c(NCc2ccccc2CO)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O07 compound treatment 0.285 0.0365 1.36 0.284 0.0362 1.66 2.1309 0.9951 3083858 TimTec1_002779 Cc1nc2ccccc2nc1Sc3nnc(o3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O08 compound treatment 0.301 0.0525 1.95 0.293 0.0452 2.07 2.8431 0.9996 1918856 TimTec1_002780 Brc1ccc(/C=N/c2cccc3ccccc23)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O09 compound treatment 0.239 -0.0095 -0.35 0.242 -0.00583 -0.27 -0.4387 -0.9905 3209250 TimTec1_002781 COc1ccc(Br)cc1/C=C/2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O10 compound treatment 0.25 0.0015 0.06 0.249 0.00117 0.05 0.0772 0.9998 3209251 TimTec1_002782 N#Cc1ccc(/C=N/c2cccc(C#N)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O11 compound treatment 0.257 0.0085 0.32 0.253 0.00517 0.24 0.3908 0.9898 3083924 TimTec1_002783 CCN1C(=C)c2cc(C)cc(C)c2NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O12 compound treatment 0.258 0.0095 0.35 0.256 0.00817 0.37 0.5143 0.9996 3209252 TimTec1_002784 COc1ccc2ccccc2c1/C=N/c3ccccc3C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O13 compound treatment 0.271 0.0225 0.84 0.275 0.0272 1.24 1.4713 0.9814 1178846 TimTec1_002785 C=CCSc1nc2ccccc2c(=O)n1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O14 compound treatment 0.249 5.0E-4 0.02 0.261 0.0132 0.6 0.4394 0.7286 3209253 TimTec1_002786 Cc1ccc(/C=N/c2ccc(\N=C\c3ccc(C)s3)cc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O15 compound treatment 0.291 0.0425 1.58 0.291 0.0432 1.98 2.5154 0.9939 1364793 TimTec1_002787 CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc2sc(C)c(C)c2C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O16 compound treatment 0.357 0.109 4.04 0.359 0.111 5.09 6.4528 0.9934 3209254 TimTec1_002788 Cc1c(Cc2ccccc2)sc(/N=C/c3ccc(Cl)cc3)c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O17 compound treatment 0.273 0.0245 0.91 0.261 0.0132 0.6 1.0707 0.9799 1685792 TimTec1_002789 COc1ccc2c(Cl)c(sc2c1)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O18 compound treatment 0.261 0.0125 0.46 0.262 0.0142 0.65 0.7874 0.9867 1138448 TimTec1_002790 O=C(CSc1nc2CCCCc2cc1C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O19 compound treatment 0.245 -0.0035 -0.13 0.252 0.00417 0.19 0.0428 0.1855 3083928 TimTec1_002791 CSc1ccc(/C=N/c2ccc(C)c(C)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O20 compound treatment 0.289 0.0405 1.51 0.301 0.0532 2.43 2.7865 0.9734 1253093 TimTec1_002792 CCOc1cccc(=O)c2c(C)n(c(C)c12)c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O21 compound treatment 0.272 0.0235 0.87 0.266 0.0182 0.83 1.2062 0.9997 3083930 TimTec1_002793 Cc1ccc(/C=N/c2ccc3ccccc3c2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O22 compound treatment 0.255 0.0065 0.24 0.253 0.00517 0.24 0.3382 0.9999 3209255 TimTec1_002794 C/C(=N/Cc1nnc(C)s1)/c2cc3c(=O)n(C)c4ccccc4c3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O23 mock treatment 0.248 -5.0E-4 -0.02 0.252 0.00417 0.19 0.1218 0.6352 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 O24 mock treatment 0.247 -0.0015 -0.06 0.245 -0.00283 -0.13 -0.1312 -0.9289 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P01 compound treatment 0.214 -0.0345 -1.28 0.208 -0.0398 -1.82 -2.197 -0.9852 3083932 TimTec1_002795 CC1=CC(=O)N(C1=O)c2c(C)n(C)n(c3ccccc3)c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P02 compound treatment 0.247 -0.0015 -0.06 0.24 -0.00783 -0.36 -0.2931 -0.8074 3209256 TimTec1_002796 CNC(=O)C1=CC(C)(C)NC1(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P03 compound treatment 0.256 0.0075 0.28 0.25 0.00217 0.1 0.2674 0.9032 1174268 TimTec1_002797 Clc1ccc(cc1)C(=O)C(=C2NCCN2)n3ccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P04 compound treatment 0.248 -5.0E-4 -0.02 0.249 0.00117 0.05 0.0246 0.4353 1414675 TimTec1_002798 O=C(N1CCOCC1)c2ccc(s2)C(=O)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P05 compound treatment 0.255 0.0065 0.24 0.249 0.00117 0.05 0.2087 0.843 1495833 TimTec1_002799 COc1ccc(cc1OC)C2=NCC(C)(C)CO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P06 compound treatment 0.259 0.0105 0.39 0.263 0.0152 0.69 0.7672 0.9629 1678629 TimTec1_002800 COc1ccccc1C(=O)Nc2ccc(cc2)c3cn4ccccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P07 compound treatment 0.262 0.0135 0.5 0.255 0.00717 0.33 0.5871 0.9787 3209373 TimTec1_002801 CCn1c(=O)c(C/2=NNC(=O)\C2=C/Nc3nccs3)c(O)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P08 compound treatment 0.236 -0.0125 -0.46 0.227 -0.0208 -0.95 -1.0033 -0.9454 1514165 TimTec1_002802 COc1ccc(cc1)C(C#N)N2CCC(=N2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P09 compound treatment 0.24 -0.0085 -0.32 0.237 -0.0108 -0.5 -0.5743 -0.9763 1619442 TimTec1_002803 Nc1cccc(c1)C(=O)OC2CSC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P10 compound treatment 0.231 -0.0175 -0.65 0.234 -0.0138 -0.63 -0.9081 -0.9999 3209374 TimTec1_002804 Cc1ccc(OCCSc2ncnc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P11 compound treatment 0.229 -0.0195 -0.73 0.231 -0.0168 -0.77 -1.0579 -0.9995 1011278 TimTec1_002805 OC(=O)CNC(=O)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P12 compound treatment 0.241 -0.0075 -0.28 0.237 -0.0108 -0.5 -0.548 -0.9629 1159913 TimTec1_002806 NC(=O)Cc1nc(cs1)c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P13 compound treatment 0.263 0.0145 0.54 0.266 0.0182 0.83 0.9695 0.978 1445633 TimTec1_002807 CCC(=O)c1cc2OCCOc2cc1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P14 compound treatment 0.228 -0.0205 -0.76 0.236 -0.0118 -0.54 -0.9223 -0.986 1468490 TimTec1_002808 Clc1ccccc1CS(=O)(=O)NCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P15 compound treatment 0.245 -0.0035 -0.13 0.249 0.00117 0.05 -0.0543 -0.3857 1633493 TimTec1_002809 NC(=O)CSc1nc2ccccc2c(=O)n1Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P16 compound treatment 0.23 -0.0185 -0.69 0.237 -0.0108 -0.5 -0.8373 -0.9871 1674139 TimTec1_002810 CCOC(=O)C1CCN(CC1)C(=O)c2ccccc2NC(=O)c3cccc(F)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P17 compound treatment 0.249 5.0E-4 0.02 0.248 1.67E-4 0.01 0.0185 0.9226 1703140 TimTec1_002811 OC(=O)CC1(O)N(Cc2ccccc2)C(=O)c3ccccc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P18 compound treatment 0.244 -0.0045 -0.17 0.248 1.67E-4 0.01 -0.113 -0.6742 3084009 TimTec1_002812 COC(=O)C1=CN(CC2CCCO2)C=C(C1c3ccccc3)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P19 compound treatment 0.266 0.0175 0.65 0.252 0.00417 0.19 0.5952 0.8774 1281947 TimTec1_002813 CC1(C)CC(=C(C(C(C#N)C(=S)N)c2ccc(Cl)cc2)C(=O)C1)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P20 compound treatment 0.249 5.0E-4 0.02 0.24 -0.00783 -0.36 -0.2405 -0.6695 3084012 TimTec1_002814 O=C(C1CCCC1)N2CCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P21 compound treatment 0.247 -0.0015 -0.06 0.249 0.00117 0.05 -0.0017 -0.0217 1667550 TimTec1_002815 Clc1ccccc1C(=O)N2CC(CC2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P22 compound treatment 0.242 -0.0065 -0.24 0.247 -8.33E-4 -0.04 -0.1979 -0.8087 3209375 TimTec1_002816 CC(=O)NC(N1CCCCC1c2cccnc2)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P23 mock treatment 0.245 -0.0035 -0.13 0.237 -0.0108 -0.5 -0.4428 -0.8634 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2070 P24 mock treatment 0.232 -0.0165 -0.61 0.203 -0.0448 -2.05 -1.8855 -0.88 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A01 compound treatment 0.186 -0.0617 -2.3 0.167 -0.075 -3.44 -4.0531 -0.9808 3084014 TimTec1_002817 COCCc1nnc(CCOC)n1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A02 compound treatment 0.225 -0.0227 -0.85 0.212 -0.03 -1.38 -1.5705 -0.9728 3084016 TimTec1_002818 COC(=O)Cc1[nH]nc2OC(=C(C#N)C3(CCOC3C)c12)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A03 compound treatment 0.239 -0.00874 -0.33 0.233 -0.00903 -0.41 -0.5224 -0.9929 1505030 TimTec1_002819 CC(=O)NC1CC(C)(C)N(OC(=O)c2ccccn2)C(C)(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A04 compound treatment 0.233 -0.0147 -0.55 0.229 -0.013 -0.6 -0.8097 -0.9991 1622909 TimTec1_002820 COc1cccc(NC(=O)CCC(=O)Nc2cccc(OC)c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A05 compound treatment 0.214 -0.0337 -1.26 0.213 -0.029 -1.33 -1.8274 -0.9996 1232935 TimTec1_002821 COC(=O)c1ccc2OCC(=O)Nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A06 compound treatment 0.229 -0.0187 -0.7 0.22 -0.022 -1.01 -1.2063 -0.9837 1338496 TimTec1_002822 O=C(Cc1ccccc1)Nc2ccc(C#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A07 compound treatment 0.238 -0.00974 -0.36 0.23 -0.012 -0.55 -0.6458 -0.9793 1686991 TimTec1_002823 O=C(NC1(CC1)c2ccccc2)N3CCN(CC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A08 compound treatment 0.231 -0.0167 -0.62 0.238 -0.00403 -0.18 -0.5709 -0.8789 1704723 TimTec1_002824 COc1ccccc1OCC(=O)NCCC2=CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A09 compound treatment 0.239 -0.00874 -0.33 0.239 -0.00303 -0.14 -0.3281 -0.928 1538860 TimTec1_002825 COc1nc(C#N)nc(n1)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A10 compound treatment 0.266 0.0183 0.68 0.265 0.023 1.05 1.2238 0.9776 1705636 TimTec1_002826 COC(=O)CCC(=O)c1c(C)[nH]c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A11 compound treatment 0.238 -0.00974 -0.36 0.234 -0.00803 -0.37 -0.5163 -1.0 1667965 TimTec1_002827 O=C(N1CC(=O)N(CCc2ccccc2)C(=O)C1)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A12 compound treatment 0.247 -7.42E-4 -0.03 0.245 0.00297 0.14 0.0766 0.5522 1335542 TimTec1_002828 NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A13 compound treatment 0.264 0.0163 0.6 0.252 0.00997 0.46 0.7503 0.9904 1346198 TimTec1_002829 CC(=O)Nc1ccc(NC(=O)NC2(CC2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A14 compound treatment 0.234 -0.0137 -0.51 0.232 -0.01 -0.46 -0.6862 -0.9986 1605519 TimTec1_002830 COc1ccc(cc1)C(=O)NCCC2=CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A15 compound treatment 0.231 -0.0167 -0.62 0.235 -0.00703 -0.32 -0.668 -0.9529 1396894 TimTec1_002831 CC(=O)ON1C(C)(C)CC(CC1(C)C)OC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A16 compound treatment 0.233 -0.0147 -0.55 0.237 -0.00503 -0.23 -0.5507 -0.9258 1437131 TimTec1_002832 COc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A17 compound treatment 0.222 -0.0257 -0.96 0.23 -0.012 -0.55 -1.0666 -0.9655 3209376 TimTec1_002833 CC(CN(C)C)Sc1nc(C)cc(C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A18 compound treatment 0.253 0.00526 0.2 0.289 0.047 2.15 1.6589 0.7682 3084025 TimTec1_002834 C/C(=N/O)/C1C(=O)c2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A19 compound treatment 0.312 0.0643 2.39 0.315 0.073 3.34 4.0525 0.9865 1530326 TimTec1_002835 O=C(Cn1nc2-c3ccccc3C(=O)c4cccc1c24)N5CCOCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A20 compound treatment 0.216 -0.0317 -1.18 0.214 -0.028 -1.28 -1.7424 -0.9991 1340976 TimTec1_002836 Cc1ccccc1NCC(=O)NN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A21 compound treatment 0.213 -0.0347 -1.29 0.228 -0.014 -0.64 -1.3681 -0.948 1679889 TimTec1_002837 CC(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A22 compound treatment 0.235 -0.0127 -0.47 0.225 -0.017 -0.78 -0.8866 -0.9715 1127034 TimTec1_002838 OC(=O)CCC(=O)NC1CCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A23 mock treatment 0.24 -0.00774 -0.29 0.204 -0.038 -1.74 -1.435 -0.813 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 A24 mock treatment 0.179 -0.0687 -2.56 0.185 -0.057 -2.61 -3.6545 -0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B01 compound treatment 0.23 -0.0177 -0.66 0.225 -0.017 -0.78 -1.0181 -0.9965 1361487 TimTec1_002839 CCC(=O)Nc1ccccc1c2ccccc2NC(=O)CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B02 compound treatment 0.252 0.00426 0.16 0.253 0.011 0.5 0.4671 0.887 3209377 TimTec1_002840 COc1ccc(CC(=O)N(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B03 compound treatment 0.322 0.0743 2.76 0.32 0.078 3.57 4.4774 0.992 3209378 TimTec1_002841 O=C(NCCCc1ccccc1)C2c3ccccc3Oc4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B04 compound treatment 0.258 0.0103 0.38 0.256 0.014 0.64 0.722 0.9695 1049258 TimTec1_002842 O=C(N1CCN(CC1)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B05 compound treatment 0.276 0.0283 1.05 0.273 0.031 1.42 1.7458 0.9891 3084098 TimTec1_002843 O=C(CCCc1ccccc1)Nc2scc3c(=O)oc4ccccc4c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B06 compound treatment 0.253 0.00526 0.2 0.25 0.00797 0.36 0.3963 0.9573 1415764 TimTec1_002844 CCC(C)NC(=O)Cc1ccc(OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B07 compound treatment 0.259 0.0113 0.42 0.254 0.012 0.55 0.6836 0.9912 3209379 TimTec1_002845 Ic1cccc(c1)C(=O)Nc2ccccc2C(=O)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B08 compound treatment 0.265 0.0173 0.64 0.262 0.02 0.91 1.1004 0.985 1699287 TimTec1_002846 CCOC(=O)N1CCN(CC1)C(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B09 compound treatment 0.261 0.0133 0.49 0.257 0.015 0.69 0.8333 0.987 3209380 TimTec1_002847 Cc1ccc(cc1)n2c(SCc3cccc(c3)C(F)(F)F)nnc2c4ccncc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B10 compound treatment 0.257 0.00926 0.34 0.255 0.013 0.59 0.6633 0.9664 1149703 TimTec1_002848 COc1ccc(cc1)S(=O)(=O)N(CCO)C2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B11 compound treatment 0.258 0.0103 0.38 0.25 0.00797 0.36 0.5278 0.9997 3209381 TimTec1_002849 FC(F)(F)c1ccc(/C=N\n2c(S)nnc2c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B12 compound treatment 0.255 0.00726 0.27 0.256 0.014 0.64 0.6431 0.9264 1570349 TimTec1_002850 CS(=O)(=O)NC1CCN(Cc2ccccc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B13 compound treatment 0.261 0.0133 0.49 0.254 0.012 0.55 0.7362 0.9986 1666129 TimTec1_002851 CN(C)CCc1[nH]c2ccc(C)cc2c1CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B14 compound treatment 0.259 0.0113 0.42 0.255 0.013 0.59 0.7159 0.9854 3084104 TimTec1_002852 CC(C)(C)NS(=O)(=O)c1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B15 compound treatment 0.255 0.00726 0.27 0.257 0.015 0.69 0.6755 0.9171 1361349 TimTec1_002853 CC(=O)N1CC2N(CCc3ccccc23)C1c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B16 compound treatment 0.266 0.0183 0.68 0.26 0.018 0.82 1.0619 0.9955 1603417 TimTec1_002854 NC(=O)c1cccc(c1)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B17 compound treatment 0.253 0.00526 0.2 0.248 0.00597 0.27 0.3315 0.9866 1380307 TimTec1_002855 Nc1ncnc2[nH]c(Sc3ncnc4ccccc34)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B18 compound treatment 0.252 0.00426 0.16 0.25 0.00797 0.36 0.37 0.9302 1630576 TimTec1_002856 Clc1cccc(c1)C(=O)NCCN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B19 compound treatment 0.293 0.0453 1.68 0.29 0.048 2.2 2.7433 0.9914 3209382 TimTec1_002857 Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3nc(NC4CCCC4)c5ccccc5n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B20 compound treatment 0.257 0.00926 0.34 0.255 0.013 0.59 0.6633 0.9664 1014173 TimTec1_002858 CC(C)C(=O)Nc1cccc(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B21 compound treatment 0.257 0.00926 0.34 0.258 0.016 0.73 0.7605 0.941 1540718 TimTec1_002859 Cn1c2nc(c(C(=S)Nc3ccccc3)n2c4ccccc14)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B22 compound treatment 0.259 0.0113 0.42 0.261 0.019 0.87 0.9102 0.944 3084109 TimTec1_002860 C=CCN(CC=C)S(=O)(=O)Cc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B23 mock treatment 0.258 0.0103 0.38 0.254 0.012 0.55 0.6573 0.9843 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 B24 mock treatment 0.243 -0.00474 -0.18 0.231 -0.011 -0.51 -0.4819 -0.9007 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C01 compound treatment 0.208 -0.0397 -1.48 0.218 -0.024 -1.1 -1.8233 -0.9894 3084110 TimTec1_002861 Nn1c(nnc1c2ccccn2)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C02 compound treatment 0.337 0.0893 3.32 0.327 0.085 3.89 5.0985 0.9969 3209504 TimTec1_002862 Cc1ccc(o1)c2cc(c3c(N)c(sc3n2)C(=O)c4ccc5OCOc5c4)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C03 compound treatment 0.239 -0.00874 -0.33 0.239 -0.00303 -0.14 -0.3281 -0.928 1686195 TimTec1_002863 COc1ccc(CNC2CC(C)(C)NC(C)(C)C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C04 compound treatment 0.251 0.00326 0.12 0.246 0.00397 0.18 0.2142 0.9806 1012738 TimTec1_002864 COC(=O)CCC(=O)Nc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C05 compound treatment 0.243 -0.00474 -0.18 0.237 -0.00503 -0.23 -0.2876 -0.9913 3084183 TimTec1_002865 O=C(NCCCN1CCOCC1)NC2(CC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C06 compound treatment 0.264 0.0163 0.6 0.251 0.00897 0.41 0.7179 0.9822 1524311 TimTec1_002866 Cc1ccccc1OCC(=O)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C07 compound treatment 0.242 -0.00574 -0.21 0.244 0.00197 0.09 -0.0873 -0.3767 1120456 TimTec1_002867 COc1ccc(NC(=O)OCC23COCN3COC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C08 compound treatment 0.299 0.0513 1.91 0.289 0.047 2.15 2.8688 0.9982 1872857 TimTec1_002868 Nc1ccc(/C=C/c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C09 compound treatment 0.246 -0.00174 -0.06 0.242 -3.23E-5 0.0 -0.0469 -0.723 1455445 TimTec1_002869 CCOc1cc2CCN3C(c2cc1OCC)c4ccccc4OCC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C10 compound treatment 0.255 0.00726 0.27 0.253 0.011 0.5 0.546 0.9576 1520503 TimTec1_002870 S=C(NCc1ccccc1)c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C11 compound treatment 0.242 -0.00574 -0.21 0.242 -3.23E-5 0.0 -0.1521 -0.712 3084189 TimTec1_002871 Cc1sc([s+]c1SCC(=O)O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C12 compound treatment 0.251 0.00326 0.12 0.251 0.00897 0.41 0.376 0.8783 3084190 TimTec1_002872 O=C(NCc1ccccc1)C2CCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C13 compound treatment 0.247 -7.42E-4 -0.03 0.249 0.00697 0.32 0.2061 0.6435 1274042 TimTec1_002873 COCc1cc(C)nc2sc3c(=O)n(Cc4ccccc4)nnc3c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C14 compound treatment 0.246 -0.00174 -0.06 0.248 0.00597 0.27 0.1474 0.5249 1250141 TimTec1_002874 Nc1ccc(cc1)S(=O)(=O)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C15 compound treatment 0.251 0.00326 0.12 0.25 0.00797 0.36 0.3437 0.894 1229823 TimTec1_002875 COc1ccc(cc1)S(=O)(=O)NCC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C16 compound treatment 0.249 0.00126 0.05 0.25 0.00797 0.36 0.2911 0.7913 1379532 TimTec1_002876 O=C(Cc1ccccc1)NC2CCCCC2NC(=O)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C17 compound treatment 0.249 0.00126 0.05 0.248 0.00597 0.27 0.2263 0.8163 1324864 TimTec1_002877 CC1CCN(CNC(=O)c2cc3ccccc3o2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C18 compound treatment 0.253 0.00526 0.2 0.252 0.00997 0.46 0.461 0.9285 1456811 TimTec1_002878 CC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C19 compound treatment 0.243 -0.00474 -0.18 0.243 9.68E-4 0.04 -0.0934 -0.5135 1430592 TimTec1_002879 COc1ccc(c2ccccc12)S(=O)(=O)N(C)CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C20 compound treatment 0.246 -0.00174 -0.06 0.243 9.68E-4 0.04 -0.0145 -0.1845 1271718 TimTec1_002880 COc1ccc(OC)c(NC(=O)COc2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C21 compound treatment 0.243 -0.00474 -0.18 0.243 9.68E-4 0.04 -0.0934 -0.5135 1255886 TimTec1_002881 CCC(CO)NC(=S)Nc1ccccc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C22 compound treatment 0.25 0.00226 0.08 0.25 0.00797 0.36 0.3174 0.8477 3209505 TimTec1_002882 CC1=NN(C(=S)N)C(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C23 mock treatment 0.242 -0.00574 -0.21 0.236 -0.00603 -0.28 -0.3463 -0.9919 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 C24 mock treatment 0.226 -0.0217 -0.81 0.215 -0.027 -1.24 -1.447 -0.9787 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D01 compound treatment 0.246 -0.00174 -0.06 0.235 -0.00703 -0.32 -0.2735 -0.8327 1352115 TimTec1_002883 Fc1ccc(NC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D02 compound treatment 0.252 0.00426 0.16 0.25 0.00797 0.36 0.37 0.9302 3084196 TimTec1_002884 CC1CCCCN1C(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D03 compound treatment 0.281 0.0333 1.24 0.261 0.019 0.87 1.4888 0.985 1725355 TimTec1_002885 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCC(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D04 compound treatment 0.253 0.00526 0.2 0.258 0.016 0.73 0.6553 0.8658 1463458 TimTec1_002886 CCOc1ccccc1NC(=O)c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D05 compound treatment 0.254 0.00626 0.23 0.253 0.011 0.5 0.5197 0.9389 3209506 TimTec1_002887 O=C(CSc1nc(c(C#N)c(=O)[nH]1)c2ccccc2)N3CCCc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D06 compound treatment 0.251 0.00326 0.12 0.25 0.00797 0.36 0.3437 0.894 1121637 TimTec1_002888 CCOc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D07 compound treatment 0.259 0.0113 0.42 0.254 0.012 0.55 0.6836 0.9912 3084200 TimTec1_002889 O=C(Nc1ccccc1C(=O)N2CCCC2)C(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D08 compound treatment 0.257 0.00926 0.34 0.258 0.016 0.73 0.7605 0.941 3209507 TimTec1_002890 C=CCN(CC=C)C(=O)c1cccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D09 compound treatment 0.199 -0.0487 -1.81 0.197 -0.045 -2.06 -2.7399 -0.9979 3084201 TimTec1_002891 Oc1ccc(Br)cc1/C=N/n2cnnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D10 compound treatment 0.249 0.00126 0.05 0.249 0.00697 0.32 0.2587 0.8022 1391704 TimTec1_002892 Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC#N)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D11 compound treatment 0.296 0.0483 1.79 0.282 0.04 1.83 2.5632 1.0 3084275 TimTec1_002893 CC(C)(C)c1ccc(cc1)c2nnc(S)n2/N=C/c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D12 compound treatment 0.255 0.00726 0.27 0.254 0.012 0.55 0.5784 0.9468 1455818 TimTec1_002894 CS(=O)(=O)N1CCN(CC1)c2cccc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D13 compound treatment 0.265 0.0173 0.64 0.254 0.012 0.55 0.8414 0.9969 1401683 TimTec1_002895 Cc1ccc(cc1)S(=O)(=O)c2c[nH]c(=O)[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D14 compound treatment 0.25 0.00226 0.08 0.256 0.014 0.64 0.5116 0.7932 3209508 TimTec1_002896 CCN(CC)S(=O)(=O)c1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D15 compound treatment 0.261 0.0133 0.49 0.258 0.016 0.73 0.8657 0.9816 1643931 TimTec1_002897 C(Nc1nc(Nc2nc(cs2)c3ccccc3)nc(n1)N4CCCCC4)c5ccco5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D16 compound treatment 0.257 0.00926 0.34 0.259 0.017 0.78 0.7928 0.933 3084279 TimTec1_002898 CN(Cc1ccccc1)C(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D17 compound treatment 0.261 0.0133 0.49 0.263 0.021 0.96 1.0276 0.9521 1184589 TimTec1_002899 CCN1C(Nc2ccccc12)SCC(=O)Nc3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D18 compound treatment 0.259 0.0113 0.42 0.26 0.018 0.82 0.8778 0.9509 3084281 TimTec1_002900 CC(C)NC(=O)c1cccc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D19 compound treatment 0.242 -0.00574 -0.21 0.239 -0.00303 -0.14 -0.2492 -0.9782 3084282 TimTec1_002901 Clc1ccc(OCCSc2ncnc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D20 compound treatment 0.252 0.00426 0.16 0.25 0.00797 0.36 0.37 0.9302 1014159 TimTec1_002902 CC(C)C(=O)Nc1cccc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D21 compound treatment 0.252 0.00426 0.16 0.256 0.014 0.64 0.5642 0.8563 3209509 TimTec1_002903 OC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D22 compound treatment 0.247 -7.42E-4 -0.03 0.246 0.00397 0.18 0.1089 0.5929 1280619 TimTec1_002904 CC1CC(C)CN(C1)S(=O)(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D23 mock treatment 0.253 0.00526 0.2 0.254 0.012 0.55 0.5258 0.9036 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 D24 mock treatment 0.241 -0.00674 -0.25 0.241 -0.00103 -0.05 -0.2107 -0.8258 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E01 compound treatment 0.243 -0.00474 -0.18 0.242 -3.23E-5 0.0 -0.1258 -0.713 1488202 TimTec1_002905 COc1ccc(CCNC2=CC(=O)OC32CCCCC3)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E02 compound treatment 0.256 0.00826 0.31 0.255 0.013 0.59 0.637 0.9529 3084286 TimTec1_002906 Cc1csc(NC(=O)c2sc3nc4CCCc4c(c3c2N)C(F)(F)F)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E03 compound treatment 0.251 0.00326 0.12 0.248 0.00597 0.27 0.2789 0.9331 1319939 TimTec1_002907 CCc1ccc(cc1)C2NCCc3cc4OCCOc4cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E04 compound treatment 0.258 0.0103 0.38 0.252 0.00997 0.46 0.5925 0.996 1079846 TimTec1_002908 OC(=O)c1ccccc1C(=O)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E05 compound treatment 0.255 0.00726 0.27 0.256 0.014 0.64 0.6431 0.9264 1117234 TimTec1_002909 OCCNC1(CC2CC3CC(C2)C1)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E06 compound treatment 0.259 0.0113 0.42 0.258 0.016 0.73 0.8131 0.965 3084289 TimTec1_002910 O=C(NCc1ccccc1)C2CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E07 compound treatment 0.341 0.0933 3.47 0.328 0.086 3.94 5.2361 0.998 3209510 TimTec1_002911 COC(=O)C1=CN(CC2(CC3CC4CC(C3)C2)C4)C=C(C1c5cccs5)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E08 compound treatment 0.271 0.0233 0.87 0.263 0.021 0.96 1.2906 0.9986 1872860 TimTec1_002912 CN(CCc1ccc(C)[n+]([O-])c1)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E09 compound treatment 0.259 0.0113 0.42 0.253 0.011 0.5 0.6512 0.9959 1384251 TimTec1_002913 C1CN(CCO1)c2ncnc(n2)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E10 compound treatment 0.273 0.0253 0.94 0.266 0.024 1.1 1.4403 0.997 1653066 TimTec1_002914 Cc1ccc(OCC(=O)Oc2ccc(C)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E11 compound treatment 0.254 0.00626 0.23 0.255 0.013 0.59 0.5844 0.9164 3209511 TimTec1_002915 Cc1sc([s+]c1SCCC(=O)O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E12 compound treatment 0.263 0.0153 0.57 0.263 0.021 0.96 1.0802 0.9685 1739781 TimTec1_002916 Clc1ccc(OCC(=O)Oc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E13 compound treatment 0.268 0.0203 0.75 0.262 0.02 0.91 1.1793 0.9954 1256719 TimTec1_002917 Clc1ccccc1CC2OC(=O)c3c2cc[nH]c3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E14 compound treatment 0.257 0.00926 0.34 0.258 0.016 0.73 0.7605 0.941 1005147 TimTec1_002918 COc1ccc(OCC(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E15 compound treatment 0.255 0.00726 0.27 0.254 0.012 0.55 0.5784 0.9468 3083277 TimTec1_002919 O=C(NCCOC1(CC2CC3CC(C2)C1)C3)c4cc5ccccc5oc4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E16 compound treatment 0.25 0.00226 0.08 0.254 0.012 0.55 0.4469 0.8061 3083279 TimTec1_002920 Cc1ccc(cc1)C(=O)NCCC2=CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E17 compound treatment 0.282 0.0343 1.27 0.27 0.028 1.28 1.8065 1.0 3209512 TimTec1_002921 O=C(COc1cccc(NC(=O)c2ccccc2)c1)NCCOc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E18 compound treatment 0.268 0.0203 0.75 0.268 0.026 1.19 1.3735 0.9758 1330948 TimTec1_002922 OC(=O)CCC(=O)N1CCc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E19 compound treatment 0.255 0.00726 0.27 0.255 0.013 0.59 0.6107 0.9364 1780563 TimTec1_002923 OC(=O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E20 compound treatment 0.255 0.00726 0.27 0.256 0.014 0.64 0.6431 0.9264 1661667 TimTec1_002924 COc1ccc(CC(=O)Nc2ccc(OC)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E21 compound treatment 0.267 0.0193 0.72 0.269 0.027 1.23 1.3796 0.9665 3083283 TimTec1_002925 COc1nsc(NN)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E22 compound treatment 0.281 0.0333 1.24 0.274 0.032 1.46 1.9097 0.9965 3083284 TimTec1_002926 Cc1cc(C)n(n1)C(=O)CNc2cccc(Cl)c2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E23 mock treatment 0.253 0.00526 0.2 0.251 0.00897 0.41 0.4286 0.9425 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 E24 mock treatment 0.243 -0.00474 -0.18 0.227 -0.015 -0.69 -0.6114 -0.8605 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F01 compound treatment 0.254 0.00626 0.23 0.246 0.00397 0.18 0.2931 0.9925 1189735 TimTec1_002927 CCOc1ccc(NC(=O)CCC(=O)n2nc(C)cc2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F02 compound treatment 0.253 0.00526 0.2 0.255 0.013 0.59 0.5581 0.8928 1346484 TimTec1_002928 OCCN1CCN(CC1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F03 compound treatment 0.28 0.0323 1.2 0.28 0.038 1.74 2.0777 0.9836 1244795 TimTec1_002929 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCC2)c3ccc(COc4ccc5CCCc5c4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F04 compound treatment 0.26 0.0123 0.46 0.263 0.021 0.96 1.0013 0.9421 3083288 TimTec1_002930 Brc1ccc(cc1)C(=O)NCC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F05 compound treatment 0.238 -0.00974 -0.36 0.234 -0.00803 -0.37 -0.5163 -1.0 1551713 TimTec1_002931 CC1=NN(C(=O)C1)c2ccc(cc2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F06 compound treatment 0.257 0.00926 0.34 0.256 0.014 0.64 0.6957 0.9578 1278318 TimTec1_002932 Cc1cccc(NC(=O)c2cccnc2)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F07 compound treatment 0.269 0.0213 0.79 0.265 0.023 1.05 1.3027 0.9901 3209639 TimTec1_002933 COc1ccc(NC(=O)n2ccc(n2)C(=O)N3CCOCC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F08 compound treatment 0.266 0.0183 0.68 0.259 0.017 0.78 1.0296 0.9978 3083290 TimTec1_002934 CC1CC(C)CN(C1)C(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F09 compound treatment 0.28 0.0323 1.2 0.281 0.039 1.78 2.11 0.9814 3209640 TimTec1_002935 C/C(=C\c1ccco1)/C=N/N2CCN(CC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F10 compound treatment 0.265 0.0173 0.64 0.26 0.018 0.82 1.0356 0.9925 3083291 TimTec1_002936 CC(C)CNS(=O)(=O)c1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F11 compound treatment 0.343 0.0953 3.54 0.332 0.09 4.12 5.4182 0.9972 3209641 TimTec1_002937 Sc1nnc(c2cccnc2)n1/N=C/C=C/c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F12 compound treatment 0.262 0.0143 0.53 0.26 0.018 0.82 0.9567 0.9774 3083293 TimTec1_002938 CC(C)NC(=O)c1ccc(C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F13 compound treatment 0.273 0.0253 0.94 0.265 0.023 1.05 1.4079 0.9984 1394669 TimTec1_002939 OC(=O)COc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F14 compound treatment 0.261 0.0133 0.49 0.261 0.019 0.87 0.9628 0.964 1007338 TimTec1_002940 CS(=O)(=O)NC(c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F15 compound treatment 0.261 0.0133 0.49 0.261 0.019 0.87 0.9628 0.964 1623851 TimTec1_002941 CN1CCC2C(C1)c3cc(C)ccc3N2C(=O)Cn4nnc(n4)c5ccccc5C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F16 compound treatment 0.265 0.0173 0.64 0.265 0.023 1.05 1.1975 0.972 3083330 TimTec1_002942 CCC1CCCCN1S(=O)(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F17 compound treatment 0.359 0.111 4.14 0.348 0.106 4.85 6.357 0.9969 3209642 TimTec1_002943 O=C(Cn1cc(/C=C\2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c4ccccc14)NCC5CCCO5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F18 compound treatment 0.262 0.0143 0.53 0.266 0.024 1.1 1.151 0.9443 1208206 TimTec1_002944 Fc1ccc(cc1)C(=O)N2CCc3ccccc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F19 compound treatment 0.259 0.0113 0.42 0.259 0.017 0.78 0.8455 0.9579 3083297 TimTec1_002945 COc1ccc(cc1)/C(=C/C2=NC(C)(C)CO2)/N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F20 compound treatment 0.26 0.0123 0.46 0.257 0.015 0.69 0.807 0.9804 3209643 TimTec1_002946 COC(=O)c1ccc(NC(=O)C(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F21 compound treatment 0.307 0.0593 2.2 0.301 0.059 2.7 3.4677 0.9949 1165003 TimTec1_002947 CC1=C(C)CC(C(C1)C(=O)O)C(=O)Nc2ccc3c(c2)oc4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F22 compound treatment 0.256 0.00826 0.31 0.259 0.017 0.78 0.7665 0.9176 1151238 TimTec1_002948 O=S(=O)(Cc1ccccc1)N2CCCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F23 mock treatment 0.261 0.0133 0.49 0.256 0.014 0.64 0.8009 0.9917 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 F24 mock treatment 0.251 0.00326 0.12 0.239 -0.00303 -0.14 -0.0125 -0.0677 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G01 compound treatment 0.243 -0.00474 -0.18 0.242 -3.23E-5 0.0 -0.1258 -0.713 1275078 TimTec1_002949 CCOC(=O)C1CCN(CC1)S(=O)(=O)c2nc3nc(C)cc(C)n3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G02 compound treatment 0.272 0.0243 0.9 0.278 0.036 1.65 1.8025 0.9599 3209644 TimTec1_002950 CCCCc1[nH]nc2OC(=C(C#N)C3(CCCCC3)c12)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G03 compound treatment 0.246 -0.00174 -0.06 0.249 0.00697 0.32 0.1798 0.5522 1154081 TimTec1_002951 COC(=O)Nc1c(Cl)nsc1S(=O)(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G04 compound treatment 0.257 0.00926 0.34 0.253 0.011 0.5 0.5986 0.9831 1466731 TimTec1_002952 Cc1ccc(OC(=O)CCC(=O)Nc2cccc(C#N)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G05 compound treatment 0.243 -0.00474 -0.18 0.25 0.00797 0.36 0.1332 0.3288 1082369 TimTec1_002953 NCCNC1(CC2CC3CC(C2)C1)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G06 compound treatment 0.255 0.00726 0.27 0.256 0.014 0.64 0.6431 0.9264 3209645 TimTec1_002954 NC(=O)c1ccccc1NC(=O)CCCOc2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G07 compound treatment 0.255 0.00726 0.27 0.255 0.013 0.59 0.6107 0.9364 1419997 TimTec1_002955 Fc1ccc(OCC(=O)n2cnc3ccccc23)c(F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G08 compound treatment 0.264 0.0163 0.6 0.256 0.014 0.64 0.8798 0.9996 1305850 TimTec1_002956 CC(NC(=O)c1ccncc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G09 compound treatment 0.25 0.00226 0.08 0.253 0.011 0.5 0.4145 0.8141 1253485 TimTec1_002957 O=C(Nc1ccccc1)c2scc3CCCCc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G10 compound treatment 0.257 0.00926 0.34 0.259 0.017 0.78 0.7928 0.933 1154113 TimTec1_002958 COC(=O)C1CNCCN1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G11 compound treatment 0.253 0.00526 0.2 0.25 0.00797 0.36 0.3963 0.9573 1479855 TimTec1_002959 Nc1cc(O)nc(SCC(=O)NC2CCCCC2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G12 compound treatment 0.272 0.0243 0.9 0.278 0.036 1.65 1.8025 0.9599 3083867 TimTec1_002960 CC1CCN(CC1)S(=O)(=O)c2ccc(/N=C/3\C(=O)Nc4ccccc34)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G13 compound treatment 0.256 0.00826 0.31 0.252 0.00997 0.46 0.5399 0.9814 1231567 TimTec1_002961 O=C1Nc2ccccc2C1C3Sc4ccccc4NC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G14 compound treatment 0.262 0.0143 0.53 0.261 0.019 0.87 0.9891 0.972 3083940 TimTec1_002962 O=c1ccn([nH]1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G15 compound treatment 0.264 0.0163 0.6 0.26 0.018 0.82 1.0093 0.9885 3083942 TimTec1_002963 COC(=O)c1ccc2CCc3cccc1c32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G16 compound treatment 0.263 0.0153 0.57 0.26 0.018 0.82 0.983 0.9836 3083945 TimTec1_002964 Clc1ccc(cc1)C(=O)NCCC2=CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G17 compound treatment 0.262 0.0143 0.53 0.261 0.019 0.87 0.9891 0.972 3083946 TimTec1_002965 Cc1ccc(cc1)S(=O)(=O)NCCSc2nnnn2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G18 compound treatment 0.262 0.0143 0.53 0.261 0.019 0.87 0.9891 0.972 3209646 TimTec1_002966 CC1=NN(C(=S)N)C(=O)C1C(C(C#N)C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G19 compound treatment 0.249 0.00126 0.05 0.245 0.00297 0.14 0.1292 0.8988 1312727 TimTec1_002967 COc1ccccc1C(CC(=O)N2CCCC2)c3ccc4OCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G20 compound treatment 0.259 0.0113 0.42 0.261 0.019 0.87 0.9102 0.944 1605427 TimTec1_002968 Cc1ccccc1NC(=O)CCC(=O)Nc2ccccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G21 compound treatment 0.282 0.0343 1.27 0.277 0.035 1.6 2.0331 0.9936 3209647 TimTec1_002969 CCC1CCc2nc3sc(C(=O)NCCc4ccc(OC)cc4)c(N)c3cc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G22 compound treatment 0.306 0.0583 2.17 0.301 0.059 2.7 3.4414 0.9941 1624978 TimTec1_002970 O=C(Nc1ccccc1)Nc2ccc(Nc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G23 mock treatment 0.252 0.00426 0.16 0.252 0.00997 0.46 0.4347 0.8998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 G24 mock treatment 0.252 0.00426 0.16 0.247 0.00497 0.23 0.2728 0.9843 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H01 compound treatment 0.24 -0.00774 -0.29 0.242 -3.23E-5 0.0 -0.2047 -0.7107 1612290 TimTec1_002971 O=C(CCCC(=O)N1CCCc2ccccc12)N3CCCc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H02 compound treatment 0.252 0.00426 0.16 0.256 0.014 0.64 0.5642 0.8563 1583605 TimTec1_002972 CC1CCCCN1S(=O)(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H03 compound treatment 0.287 0.0393 1.46 0.283 0.041 1.88 2.3589 0.9923 3209648 TimTec1_002973 NC(=O)c1ccccc1NC(=O)c2cccc(COc3ccc4CCCc4c3)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H04 compound treatment 0.281 0.0333 1.24 0.279 0.037 1.69 2.0716 0.9881 1192634 TimTec1_002974 CCOc1ccccc1NC(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H05 compound treatment 0.257 0.00926 0.34 0.257 0.015 0.69 0.7281 0.9493 1045732 TimTec1_002975 O=P(c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H06 compound treatment 0.258 0.0103 0.38 0.255 0.013 0.59 0.6896 0.9771 1524458 TimTec1_002976 CCN(Cc1ccccc1)C(=O)c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H07 compound treatment 0.256 0.00826 0.31 0.258 0.016 0.73 0.7342 0.9258 3209649 TimTec1_002977 Clc1ccc(NC(=O)c2cc[nH]n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H08 compound treatment 0.256 0.00826 0.31 0.258 0.016 0.73 0.7342 0.9258 1548424 TimTec1_002978 OCCN(Cc1ccccc1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H09 compound treatment 0.266 0.0183 0.68 0.267 0.025 1.14 1.2886 0.9691 3209650 TimTec1_002979 C(N1CCN(CC1)/N=C/c2ccco2)c3cccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H10 compound treatment 0.25 0.00226 0.08 0.255 0.013 0.59 0.4792 0.7992 3083954 TimTec1_002980 Clc1ccc(Cl)c(c1)S(=O)(=O)N(CC#N)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H11 compound treatment 0.325 0.0773 2.87 0.315 0.073 3.34 4.3944 0.9972 3209651 TimTec1_002981 Sc1nnc(C2CCCCC2)n1/N=C\c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H12 compound treatment 0.252 0.00426 0.16 0.257 0.015 0.69 0.5966 0.8482 3209652 TimTec1_002982 CCCN(CCC)C(=O)c1ccccc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H13 compound treatment 0.262 0.0143 0.53 0.256 0.014 0.64 0.8272 0.9957 3083957 TimTec1_002983 Fc1ccc(cc1)c2csc(n2)N3CCN(C/C=C\c4ccccc4)CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H14 compound treatment 0.255 0.00726 0.27 0.254 0.012 0.55 0.5784 0.9468 1721421 TimTec1_002984 CCC1CCCCN1C(=O)c2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H15 compound treatment 0.302 0.0543 2.02 0.304 0.062 2.84 3.4333 0.9861 1628659 TimTec1_002985 CC(=O)N(CCc1c(C)[nH]c2ccccc12)C(C(=O)Nc3c(C)cccc3C)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H16 compound treatment 0.265 0.0173 0.64 0.271 0.029 1.33 1.3918 0.9445 1214933 TimTec1_002986 Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H17 compound treatment 0.273 0.0253 0.94 0.272 0.03 1.37 1.6346 0.9829 3209772 TimTec1_002987 Cc1cc(ccc1Br)c2ccc(/C=C\3/C(=O)NC(=O)N(C4CCCCC4)C3=O)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H18 compound treatment 0.258 0.0103 0.38 0.256 0.014 0.64 0.722 0.9695 3084027 TimTec1_002988 CC(C)NC(=O)c1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H19 compound treatment 0.254 0.00626 0.23 0.254 0.012 0.55 0.5521 0.9273 1265488 TimTec1_002989 Clc1ccc(CN(CC(=O)N2CCCC2)S(=O)(=O)c3ccccc3)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H20 compound treatment 0.254 0.00626 0.23 0.251 0.00897 0.41 0.4549 0.9639 3084032 TimTec1_002990 CC(C)C(=O)Nc1nc2ccccc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H21 compound treatment 0.255 0.00726 0.27 0.254 0.012 0.55 0.5784 0.9468 1077722 TimTec1_002991 Cc1ccc(cc1)S(=O)(=O)NCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H22 compound treatment 0.249 0.00126 0.05 0.252 0.00997 0.46 0.3558 0.7755 1060751 TimTec1_002992 O=S(=O)(Cc1ccccc1)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H23 mock treatment 0.254 0.00626 0.23 0.254 0.012 0.55 0.5521 0.9273 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 H24 mock treatment 0.257 0.00926 0.34 0.239 -0.00303 -0.14 0.1453 0.3914 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I01 compound treatment 0.244 -0.00374 -0.14 0.25 0.00797 0.36 0.1596 0.4086 1532792 TimTec1_002993 CC(C)CCN1NC(C)(C)NC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I02 compound treatment 0.265 0.0173 0.64 0.264 0.022 1.01 1.1651 0.9765 3209773 TimTec1_002994 Clc1ccc(OCCCC(=O)Nc2nccs2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I03 compound treatment 0.255 0.00726 0.27 0.253 0.011 0.5 0.546 0.9576 1336661 TimTec1_002995 CC1(C)CC(CC(C)(C)N1)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I04 compound treatment 0.257 0.00926 0.34 0.254 0.012 0.55 0.631 0.9749 1482766 TimTec1_002996 Cc1cccc(OCC(=O)Nc2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I05 compound treatment 0.253 0.00526 0.2 0.256 0.014 0.64 0.5905 0.883 1626149 TimTec1_002997 Cc1[nH]c2ccccc2c1CCN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I06 compound treatment 0.26 0.0123 0.46 0.266 0.024 1.1 1.0984 0.9243 3209774 TimTec1_002998 COC(=O)c1ccc(OC)c(Br)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I07 compound treatment 0.257 0.00926 0.34 0.26 0.018 0.82 0.8252 0.9253 1162114 TimTec1_002999 COc1ccc(cc1)C(NC(=O)C2CC=CCC2C(=O)O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I08 compound treatment 0.267 0.0193 0.72 0.264 0.022 1.01 1.2177 0.9862 1581961 TimTec1_003000 OC(=O)CCC(=O)c1c[nH]c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I09 compound treatment 0.295 0.0473 1.76 0.333 0.091 4.17 4.1881 0.9264 3209775 TimTec1_003001 Cc1[nH]c2cc3c(cc(=O)[nH]c3cc2c1C)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I10 compound treatment 0.262 0.0143 0.53 0.263 0.021 0.96 1.0539 0.9609 1329961 TimTec1_003002 OC(=O)C1C(C2CC1C=C2)C(=O)OCC3CCCO3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I11 compound treatment 0.26 0.0123 0.46 0.26 0.018 0.82 0.9041 0.9612 3209776 TimTec1_003003 Sc1nnnn1C2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I12 compound treatment 0.264 0.0163 0.6 0.271 0.029 1.33 1.3655 0.9367 1562475 TimTec1_003004 O=C(CCCC(=O)Nc1ccccc1C#N)Nc2ccccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I13 compound treatment 0.261 0.0133 0.49 0.267 0.025 1.14 1.1571 0.9293 3084037 TimTec1_003005 CCSc1nnc(C)c(O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I14 compound treatment 0.288 0.0403 1.5 0.292 0.05 2.29 2.6766 0.9789 1850983 TimTec1_003006 O=C(Cc1cccc2ccccc12)Nc3ccc(cc3)S(=O)(=O)N4CCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I15 compound treatment 0.25 0.00226 0.08 0.253 0.011 0.5 0.4145 0.8141 1481588 TimTec1_003007 O=C(NCN1CCCCC1)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I16 compound treatment 0.256 0.00826 0.31 0.262 0.02 0.91 0.8637 0.8955 3084039 TimTec1_003008 Clc1ccc(NC(=O)NCC=C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I17 compound treatment 0.265 0.0173 0.64 0.26 0.018 0.82 1.0356 0.9925 3209777 TimTec1_003009 CCOC(=O)/C(=N/O)/C1=NC2(C)CCCCC2c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I18 compound treatment 0.268 0.0203 0.75 0.266 0.024 1.1 1.3088 0.9832 1346661 TimTec1_003010 NC(=O)CSc1nc2CCCCc2cc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I19 compound treatment 0.264 0.0163 0.6 0.266 0.024 1.1 1.2036 0.9606 3209778 TimTec1_003011 CC1(C)Cc2c(cnn2c3ccc(F)cc3)-c4nc5ccccc5nc41 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I20 compound treatment 0.261 0.0133 0.49 0.26 0.018 0.82 0.9304 0.97 3209779 TimTec1_003012 O=C1C2CC=CCC2C(=O)N1c3cccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I21 compound treatment 0.285 0.0373 1.39 0.286 0.044 2.01 2.4034 0.9834 3084043 TimTec1_003013 CSc1nc(cc(c1C#N)C(F)(F)F)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I22 compound treatment 0.269 0.0213 0.79 0.266 0.024 1.1 1.3351 0.9871 1352505 TimTec1_003014 NC(=O)c1c(NC(=O)Nc2ccccc2)sc3CCCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I23 mock treatment 0.259 0.0113 0.42 0.257 0.015 0.69 0.7807 0.9721 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 I24 mock treatment 0.256 0.00826 0.31 0.246 0.00397 0.18 0.3457 0.9686 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J01 compound treatment 0.306 0.0583 2.17 0.311 0.069 3.16 3.7652 0.9831 1181166 TimTec1_003015 Cc1cc(C)cc(NC(=O)CCCC(=O)Nc2cc(C)cc(C)c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J02 compound treatment 0.247 -7.42E-4 -0.03 0.252 0.00997 0.46 0.3032 0.6631 3209780 TimTec1_003016 COc1ccc(cc1)S(=O)(=O)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J03 compound treatment 0.279 0.0313 1.16 0.272 0.03 1.37 1.7924 0.9966 3209781 TimTec1_003017 COC(=O)c1c(NC(=O)C2CC2c3ccccc3)scc1c4ccc(OC)c(OC)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J04 compound treatment 0.254 0.00626 0.23 0.253 0.011 0.5 0.5197 0.9389 3084046 TimTec1_003018 CC1CC(C)CN(C1)C(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J05 compound treatment 0.251 0.00326 0.12 0.25 0.00797 0.36 0.3437 0.894 1016006 TimTec1_003019 C(Cc1ccccc1)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J06 compound treatment 0.255 0.00726 0.27 0.263 0.021 0.96 0.8698 0.8721 1618846 TimTec1_003020 O=C(N(CC#N)CC#N)c1cccc(c1)C(=O)N(CC#N)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J07 compound treatment 0.251 0.00326 0.12 0.248 0.00597 0.27 0.2789 0.9331 1010630 TimTec1_003021 NC(=N)Nc1nc2ccccc2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J08 compound treatment 0.255 0.00726 0.27 0.255 0.013 0.59 0.6107 0.9364 3084116 TimTec1_003022 CC1CCCN(C1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J09 compound treatment 0.264 0.0163 0.6 0.26 0.018 0.82 1.0093 0.9885 3209782 TimTec1_003023 C1CN(CCN1N=Cc2cccs2)C3c4ccccc4-c5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J10 compound treatment 0.253 0.00526 0.2 0.255 0.013 0.59 0.5581 0.8928 3084118 TimTec1_003024 Clc1ccc(Cl)c(c1)S(=O)(=O)NCC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J11 compound treatment 0.255 0.00726 0.27 0.259 0.017 0.78 0.7402 0.9 3209783 TimTec1_003025 Cn1cccc1/C=N/n2c(S)nnc2COc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J12 compound treatment 0.263 0.0153 0.57 0.263 0.021 0.96 1.0802 0.9685 1268911 TimTec1_003026 CCN(CC)C(=O)c1cccc(c1)C(=O)N(CC)CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J13 compound treatment 0.263 0.0153 0.57 0.269 0.027 1.23 1.2744 0.9378 1161626 TimTec1_003027 CN(C(=O)CSc1nc2ccccc2o1)C3(CCCCC3)C(=O)Nc4c(C)cccc4C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J14 compound treatment 0.243 -0.00474 -0.18 0.245 0.00297 0.14 -0.0286 -0.1286 1594441 TimTec1_003028 O=C(Cc1ccccc1)NCc2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J15 compound treatment 0.291 0.0433 1.61 0.296 0.054 2.47 2.885 0.9784 1323967 TimTec1_003029 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc4OCN(Cc5ccccc5)Cc4c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J16 compound treatment 0.262 0.0143 0.53 0.271 0.029 1.33 1.3129 0.9191 1294833 TimTec1_003030 Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J17 compound treatment 0.272 0.0243 0.9 0.273 0.031 1.42 1.6406 0.9762 3209784 TimTec1_003031 Cc1ccc(OCCCn2cc(/C=C\3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c5ccccc25)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J18 compound treatment 0.257 0.00926 0.34 0.254 0.012 0.55 0.631 0.9749 3084123 TimTec1_003032 CCC1CCCCN1C(=O)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J19 compound treatment 0.255 0.00726 0.27 0.253 0.011 0.5 0.546 0.9576 3209785 TimTec1_003033 Cc1cccc(C)c1NCc2nnc(S)n2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J20 compound treatment 0.26 0.0123 0.46 0.25 0.00797 0.36 0.5804 0.9939 3084125 TimTec1_003034 CC(C)C(=O)N1CC(C)OC(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J21 compound treatment 0.254 0.00626 0.23 0.253 0.011 0.5 0.5197 0.9389 3209786 TimTec1_003035 O=C(NCCCN1CCOCC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J22 compound treatment 0.257 0.00926 0.34 0.253 0.011 0.5 0.5986 0.9831 1472519 TimTec1_003036 O=S(=O)(Cc1ccccc1)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J23 mock treatment 0.252 0.00426 0.16 0.252 0.00997 0.46 0.4347 0.8998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 J24 mock treatment 0.25 0.00226 0.08 0.245 0.00297 0.14 0.1555 0.9733 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K01 compound treatment 0.235 -0.0127 -0.47 0.243 9.68E-4 0.04 -0.3038 -0.6382 3209787 TimTec1_003037 Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c3c(Cl)cnn3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K02 compound treatment 0.251 0.00326 0.12 0.258 0.016 0.73 0.6027 0.8132 1741001 TimTec1_003038 CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K03 compound treatment 0.252 0.00426 0.16 0.253 0.011 0.5 0.4671 0.887 1674832 TimTec1_003039 Cc1ccc2c3C(C4CCC=CC4)C5=C(CCCC5=O)Nc3ccc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K04 compound treatment 0.256 0.00826 0.31 0.256 0.014 0.64 0.6694 0.9435 1039966 TimTec1_003040 Cc1cc(Br)ccc1OCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K05 compound treatment 0.263 0.0153 0.57 0.269 0.027 1.23 1.2744 0.9378 3084130 TimTec1_003041 C=CCNC(=O)c1scc2CCCCc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K06 compound treatment 0.248 2.58E-4 0.01 0.253 0.011 0.5 0.3619 0.7205 1150301 TimTec1_003042 COC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)cc(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K07 compound treatment 0.262 0.0143 0.53 0.267 0.025 1.14 1.1834 0.939 3084131 TimTec1_003043 FC(F)(F)C(=C(C#N)C#N)NC1(CC2CC3CC(C2)C1)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K08 compound treatment 0.264 0.0163 0.6 0.267 0.025 1.14 1.236 0.9557 1711851 TimTec1_003044 OC(=O)CCCC(=O)c1c[nH]c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K09 compound treatment 0.256 0.00826 0.31 0.257 0.015 0.69 0.7018 0.9345 1235296 TimTec1_003045 COC(=O)c1cc(=O)c2c(C)nc(nc2[nH]1)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K10 compound treatment 0.257 0.00926 0.34 0.258 0.016 0.73 0.7605 0.941 1402776 TimTec1_003046 COc1ccc(cc1)N2C(=O)C3CC=CCC3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K11 compound treatment 0.255 0.00726 0.27 0.253 0.011 0.5 0.546 0.9576 3084204 TimTec1_003047 COc1ccccc1C(=O)NCCOc2ccc(C)c(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K12 compound treatment 0.254 0.00626 0.23 0.255 0.013 0.59 0.5844 0.9164 1478099 TimTec1_003048 O=C(CCCC(=O)Nc1cccc(C#N)c1)Nc2cccc(C#N)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K13 compound treatment 0.254 0.00626 0.23 0.266 0.024 1.1 0.9406 0.8384 1420277 TimTec1_003049 CCOc1nc(NCCC2=CCCCC2)nc(OCC)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K14 compound treatment 0.258 0.0103 0.38 0.252 0.00997 0.46 0.5925 0.996 3209907 TimTec1_003050 OC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@H]2CCCC[C@@H]2NC(=O)[C@H]3CCCC[C@H]3C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K15 compound treatment 0.297 0.0493 1.83 0.295 0.053 2.43 3.0104 0.9904 1327396 TimTec1_003051 Oc1nc2ccccc2nc1C(=S)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K16 compound treatment 0.257 0.00926 0.34 0.262 0.02 0.91 0.89 0.911 1197923 TimTec1_003052 Cc1cc(C)cc(NC(=O)c2ccccc2C(=O)O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K17 compound treatment 0.262 0.0143 0.53 0.262 0.02 0.91 1.0215 0.9664 1529000 TimTec1_003053 CC1CCN(CC1)S(=O)(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K18 compound treatment 0.251 0.00326 0.12 0.25 0.00797 0.36 0.3437 0.894 1041191 TimTec1_003054 NCCc1nc2ccccc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K19 compound treatment 0.262 0.0143 0.53 0.259 0.017 0.78 0.9244 0.9827 1201759 TimTec1_003055 Cc1nc2cccc(C(=O)O)c2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K20 compound treatment 0.257 0.00926 0.34 0.257 0.015 0.69 0.7281 0.9493 1725455 TimTec1_003056 OC(=O)CSc1nc2CCCc2cc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K21 compound treatment 0.304 0.0563 2.09 0.288 0.046 2.1 2.9679 1.0 3209908 TimTec1_003057 Cc1ccc(cc1)S(=O)(=O)CCSc2nc(cc(c2C#N)C(F)(F)F)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K22 compound treatment 0.257 0.00926 0.34 0.256 0.014 0.64 0.6957 0.9578 1144928 TimTec1_003058 OC(=O)c1ccccc1C(=O)NCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K23 mock treatment 0.259 0.0113 0.42 0.257 0.015 0.69 0.7807 0.9721 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 K24 mock treatment 0.245 -0.00274 -0.1 0.239 -0.00303 -0.14 -0.1703 -0.9885 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L01 compound treatment 0.247 -7.42E-4 -0.03 0.254 0.012 0.55 0.368 0.6706 1440528 TimTec1_003059 CCN(CC)C(=O)COc1ccc2ccccc2c1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L02 compound treatment 0.253 0.00526 0.2 0.256 0.014 0.64 0.5905 0.883 1517728 TimTec1_003060 CS(=O)(=O)N(Cc1ccccc1)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L03 compound treatment 0.271 0.0233 0.87 0.27 0.028 1.28 1.5172 0.9818 3209909 TimTec1_003061 Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)C4CC4c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L04 compound treatment 0.26 0.0123 0.46 0.26 0.018 0.82 0.9041 0.9612 3084214 TimTec1_003062 CCCNC(=O)c1ccccc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L05 compound treatment 0.258 0.0103 0.38 0.268 0.026 1.19 1.1105 0.8893 1514538 TimTec1_003063 O=C1OC(C2OC(=O)c3ccccc23)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L06 compound treatment 0.259 0.0113 0.42 0.263 0.021 0.96 0.975 0.9308 3084215 TimTec1_003064 FC(F)(F)c1ccccc1NC(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L07 compound treatment 0.265 0.0173 0.64 0.262 0.02 0.91 1.1004 0.985 3209910 TimTec1_003065 CC(=C)CSc1nnc(SCc2cccc3ccccc23)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L08 compound treatment 0.26 0.0123 0.46 0.257 0.015 0.69 0.807 0.9804 1626374 TimTec1_003066 O=S(=O)(N(Cc1ccccc1)c2ccccn2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L09 compound treatment 0.271 0.0233 0.87 0.266 0.024 1.1 1.3877 0.9931 3084216 TimTec1_003067 Cn1cccc1C=NN2CCN(CC2)C3c4ccccc4-c5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L10 compound treatment 0.261 0.0133 0.49 0.263 0.021 0.96 1.0276 0.9521 3209911 TimTec1_003068 Clc1ccc(Cl)c(c1)S(=O)(=O)NCCCn2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L11 compound treatment 0.276 0.0283 1.05 0.276 0.034 1.56 1.843 0.9818 1381409 TimTec1_003069 O=C(Nc1cccc(OC(=O)c2cccc(c2)S(=O)(=O)N3CCOCC3)c1)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L12 compound treatment 0.259 0.0113 0.42 0.259 0.017 0.78 0.8455 0.9579 3084218 TimTec1_003070 CCN(CC)S(=O)(=O)c1ccc(OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L13 compound treatment 0.29 0.0423 1.57 0.292 0.05 2.29 2.7292 0.9832 1122440 TimTec1_003071 Clc1ccc(C(=O)n2c(=O)oc3cc(ccc23)S(=O)(=O)N4CCCCC4)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L14 compound treatment 0.258 0.0103 0.38 0.26 0.018 0.82 0.8515 0.939 3209912 TimTec1_003072 O=C(Cc1ccccc1)N2CCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L15 compound treatment 0.259 0.0113 0.42 0.258 0.016 0.73 0.8131 0.965 3209913 TimTec1_003073 CC(C)c1ccc(cc1)S(=O)(=O)NCCOC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L16 compound treatment 0.258 0.0103 0.38 0.266 0.024 1.1 1.0458 0.9001 1425735 TimTec1_003074 CS(=O)(=O)N1CCC(Cc2ccccc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L17 compound treatment 0.303 0.0553 2.06 0.305 0.063 2.88 3.492 0.9862 3209914 TimTec1_003075 O=C(Nc1ccc(cc1)N2CCCC2)/C=C/c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L18 compound treatment 0.262 0.0143 0.53 0.26 0.018 0.82 0.9567 0.9774 3084222 TimTec1_003076 CC(C)C(=O)Nc1ccccc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L19 compound treatment 0.266 0.0183 0.68 0.263 0.021 0.96 1.1591 0.9856 1413251 TimTec1_003077 O=C(Oc1ccc(OCc2ccccc2)cc1)c3ccc(cc3)n4cnnn4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L20 compound treatment 0.266 0.0183 0.68 0.264 0.022 1.01 1.1914 0.9817 3084296 TimTec1_003078 CN(c1ccccc1)S(=O)(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L21 compound treatment 0.257 0.00926 0.34 0.259 0.017 0.78 0.7928 0.933 1393226 TimTec1_003079 CC(=O)Nc1ccc(cc1)S(=O)(=O)NC2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L22 compound treatment 0.26 0.0123 0.46 0.261 0.019 0.87 0.9365 0.9548 3084299 TimTec1_003080 CC(C)NS(=O)(=O)Cc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L23 mock treatment 0.258 0.0103 0.38 0.257 0.015 0.69 0.7544 0.9618 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 L24 mock treatment 0.24 -0.00774 -0.29 0.244 0.00197 0.09 -0.1399 -0.4637 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M01 compound treatment 0.25 0.00226 0.08 0.27 0.028 1.28 0.9649 0.7519 3209915 TimTec1_003081 CN(C)c1nc(Nc2ccc(OC(F)(F)F)cc2)nc(NC(C)(C)C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M02 compound treatment 0.266 0.0183 0.68 0.258 0.016 0.73 0.9972 0.9993 1453611 TimTec1_003082 Fc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M03 compound treatment 0.246 -0.00174 -0.06 0.249 0.00697 0.32 0.1798 0.5522 1354508 TimTec1_003083 Fc1ccccc1NC(=O)OCC2CCCN3CCCCC23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M04 compound treatment 0.257 0.00926 0.34 0.258 0.016 0.73 0.7605 0.941 1291773 TimTec1_003084 COc1ccccc1NCC(=O)NN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M05 compound treatment 0.254 0.00626 0.23 0.254 0.012 0.55 0.5521 0.9273 3209916 TimTec1_003085 FC(F)(F)COc1nc(NCCOC2(CC3CC4CC(C3)C2)C4)nc(OCC(F)(F)F)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M06 compound treatment 0.256 0.00826 0.31 0.264 0.022 1.01 0.9284 0.8828 3084303 TimTec1_003086 Cc1ccccc1OCC(=O)NC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M07 compound treatment 0.252 0.00426 0.16 0.25 0.00797 0.36 0.37 0.9302 1483294 TimTec1_003087 Brc1ccc(o1)C(=O)N2CCCC2(C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M08 compound treatment 0.265 0.0173 0.64 0.263 0.021 0.96 1.1328 0.9808 3209917 TimTec1_003088 CCOC(=O)c1c(C)n(C)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M09 compound treatment 0.274 0.0263 0.98 0.269 0.027 1.23 1.5637 0.9933 1608976 TimTec1_003089 Cc1ccc(CNC(=O)c2ccc(Cl)cc2)c(=S)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M10 compound treatment 0.261 0.0133 0.49 0.259 0.017 0.78 0.8981 0.9759 1134765 TimTec1_003090 Cc1cc(ccc1NC(=O)C2CC2)c3ccc(NC(=O)C4CC4)c(C)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M11 compound treatment 0.253 0.00526 0.2 0.251 0.00897 0.41 0.4286 0.9425 1685257 TimTec1_003091 COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M12 compound treatment 0.258 0.0103 0.38 0.259 0.017 0.78 0.8191 0.9464 1307859 TimTec1_003092 OC(=O)C1CC(=O)N(Cc2ccccc2)C1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M13 compound treatment 0.253 0.00526 0.2 0.259 0.017 0.78 0.6876 0.8583 1194234 TimTec1_003093 Nn1c(Cn2ccnc2)nnc1Cn3ccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M14 compound treatment 0.257 0.00926 0.34 0.258 0.016 0.73 0.7605 0.941 1004097 TimTec1_003094 O=C(Nc1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M15 compound treatment 0.256 0.00826 0.31 0.254 0.012 0.55 0.6047 0.9626 3209918 TimTec1_003095 OC(=O)CSc1nc(O)c2ccccc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M16 compound treatment 0.268 0.0203 0.75 0.271 0.029 1.33 1.4707 0.9641 1780824 TimTec1_003096 COC(=O)c1c(C)c(sc1N)/C(=C/C#N)/C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M17 compound treatment 0.295 0.0473 1.76 0.297 0.055 2.52 3.0226 0.9846 3084309 TimTec1_003097 Cc1cc(C)c2C3=NC(NC(=O)N3Nc2n1)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M18 compound treatment 0.259 0.0113 0.42 0.264 0.022 1.01 1.0073 0.9246 3209920 TimTec1_003098 CCC(=O)Nc1ccc(C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M19 compound treatment 0.453 0.205 7.63 0.46 0.218 9.98 12.4555 0.9913 3209921 TimTec1_003099 CCC(=O)c1ccc2cccc3nc(CC)[nH]c1c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M20 compound treatment 0.266 0.0183 0.68 0.292 0.05 2.29 2.098 0.8791 3084311 TimTec1_003100 CSc1nc(N)c(C#N)cc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M21 compound treatment 0.256 0.00826 0.31 0.256 0.014 0.64 0.6694 0.9435 3084313 TimTec1_003101 FC(F)(F)c1cc(nc(SCCN2CCCCC2)c1C#N)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M22 compound treatment 0.262 0.0143 0.53 0.26 0.018 0.82 0.9567 0.9774 1363379 TimTec1_003102 Cc1cc(C)n(n1)C(=O)CCC(=O)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M23 mock treatment 0.254 0.00626 0.23 0.252 0.00997 0.46 0.4873 0.9512 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 M24 mock treatment 0.243 -0.00474 -0.18 0.244 0.00197 0.09 -0.061 -0.308 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N01 compound treatment 0.255 0.00726 0.27 0.252 0.00997 0.46 0.5136 0.9686 1876364 TimTec1_003103 COc1ccc2cc(ccc2c1)C(C)C(=O)OCC(=O)N3CCCc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N02 compound treatment 0.247 -7.42E-4 -0.03 0.246 0.00397 0.18 0.1089 0.5929 3083298 TimTec1_003104 CCc1ccc(NS(=O)(=O)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N03 compound treatment 0.296 0.0483 1.79 0.295 0.053 2.43 2.9841 0.989 3210033 TimTec1_003105 NC(=O)c1c(NC(=O)CCCc2ccccc2)scc1c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N04 compound treatment 0.242 -0.00574 -0.21 0.241 -0.00103 -0.05 -0.1844 -0.8432 3083302 TimTec1_003106 FC(F)(F)c1ccccc1NC(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N05 compound treatment 0.569 0.321 11.95 0.568 0.326 14.93 19.003 0.9939 3210034 TimTec1_003107 NC(=C(C#N)C#N)/C(=C/c1ccc(o1)c2cccc(c2)C(=O)O)/C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N06 compound treatment 0.249 0.00126 0.05 0.253 0.011 0.5 0.3882 0.7697 1611585 TimTec1_003108 COc1ccc(OC)c(NC(=O)c2cccs2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N07 compound treatment 0.28 0.0323 1.2 0.282 0.04 1.83 2.1424 0.979 3210035 TimTec1_003109 COc1ccc(cc1)C(=O)CSc2nc3ccccc3c(=O)n2c4ccc(C)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N08 compound treatment 0.246 -0.00174 -0.06 0.252 0.00997 0.46 0.2769 0.6007 1483126 TimTec1_003110 CCN(C1CCCCC1)S(=O)(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N09 compound treatment 0.25 0.00226 0.08 0.253 0.011 0.5 0.4145 0.8141 3210036 TimTec1_003111 C/C(=N\N1CCN(CC1)C2c3ccccc3-c4ccccc24)/c5cccnc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N10 compound treatment 0.248 2.58E-4 0.01 0.252 0.00997 0.46 0.3295 0.7218 1438968 TimTec1_003112 COc1ccc(Cl)cc1NS(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N11 compound treatment 0.272 0.0243 0.9 0.272 0.03 1.37 1.6083 0.9793 1569076 TimTec1_003113 Clc1cccc(NC(=O)C2(CCCCC2)NC(=O)Cc3ccccc3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N12 compound treatment 0.254 0.00626 0.23 0.251 0.00897 0.41 0.4549 0.9639 3083307 TimTec1_003114 COc1ccc(cc1)S(=O)(=O)NC(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N13 compound treatment 0.254 0.00626 0.23 0.256 0.014 0.64 0.6168 0.9063 1576607 TimTec1_003115 CCC1(CC)OC(Nc2ccccc21)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N14 compound treatment 0.25 0.00226 0.08 0.248 0.00597 0.27 0.2526 0.8837 1306106 TimTec1_003116 COc1ccc(CC(=O)N2CCc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N15 compound treatment 0.269 0.0213 0.79 0.272 0.03 1.37 1.5294 0.9657 1533234 TimTec1_003117 Oc1ccccc1N2CCN(CC2)C(=O)c3scc4CCCCc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N16 compound treatment 0.251 0.00326 0.12 0.258 0.016 0.73 0.6027 0.8132 3083310 TimTec1_003118 CN(Cc1ccccc1)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N17 compound treatment 0.26 0.0123 0.46 0.258 0.016 0.73 0.8394 0.9742 1242242 TimTec1_003119 O=c1n(CN2CCOCC2)c3ccccc3n1CN4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N18 compound treatment 0.25 0.00226 0.08 0.251 0.00897 0.41 0.3497 0.8345 1434668 TimTec1_003120 CC(C)C(=O)N(Cc1ccccc1)c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N19 compound treatment 0.263 0.0153 0.57 0.261 0.019 0.87 1.0154 0.9787 1692260 TimTec1_003121 Cc1ccc(NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccc(C)cc4)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N20 compound treatment 0.27 0.0223 0.83 0.275 0.033 1.51 1.6528 0.96 1530780 TimTec1_003122 COC(=O)c1cc(NS(=O)(=O)Cc2ccccc2)cc(c1)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N21 compound treatment 0.257 0.00926 0.34 0.256 0.014 0.64 0.6957 0.9578 1642760 TimTec1_003123 O=S(=O)(Nn1cnnc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N22 compound treatment 0.247 -7.42E-4 -0.03 0.249 0.00697 0.32 0.2061 0.6435 1190900 TimTec1_003124 COc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N23 mock treatment 0.254 0.00626 0.23 0.253 0.011 0.5 0.5197 0.9389 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 N24 mock treatment 0.236 -0.0117 -0.44 0.217 -0.025 -1.15 -1.1193 -0.9125 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O01 compound treatment 0.231 -0.0167 -0.62 0.214 -0.028 -1.28 -1.3479 -0.9448 1591566 TimTec1_003125 Nn1cnn(CC(=O)Nc2nccs2)c1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O02 compound treatment 0.268 0.0203 0.75 0.269 0.027 1.23 1.4059 0.9719 1667880 TimTec1_003126 Fc1ccc(NC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O03 compound treatment 0.249 0.00126 0.05 0.25 0.00797 0.36 0.2911 0.7913 1127183 TimTec1_003127 CN(C)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O04 compound treatment 0.25 0.00226 0.08 0.245 0.00297 0.14 0.1555 0.9733 3083316 TimTec1_003128 COC(=O)COc1cc(C)ccc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O05 compound treatment 0.262 0.0143 0.53 0.268 0.026 1.19 1.2157 0.9338 1147462 TimTec1_003129 CN(Cc1nc(cs1)c2ccccc2)C(=O)NC3(CC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O06 compound treatment 0.276 0.0283 1.05 0.287 0.045 2.06 2.1991 0.9513 1412252 TimTec1_003130 Cc1ccccc1OCC(=O)NC2CCCCC2NC(=O)COc3ccccc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O07 compound treatment 0.251 0.00326 0.12 0.25 0.00797 0.36 0.3437 0.894 1038833 TimTec1_003131 Cc1cc(C)c(C(=O)O)c(O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O08 compound treatment 0.257 0.00926 0.34 0.252 0.00997 0.46 0.5662 0.9904 3083333 TimTec1_003132 C/C(=N/O)/c1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O09 compound treatment 0.252 0.00426 0.16 0.25 0.00797 0.36 0.37 0.9302 1238150 TimTec1_003133 Cc1ccc(C)c(c1)N2C3CS(=O)(=O)CC3CC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O10 compound treatment 0.25 0.00226 0.08 0.251 0.00897 0.41 0.3497 0.8345 3083335 TimTec1_003134 Nc1c[n+](no1)C2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O11 compound treatment 0.265 0.0173 0.64 0.264 0.022 1.01 1.1651 0.9765 3210037 TimTec1_003135 COC(=O)CSc1ccc2c(N)c(sc2c1)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O12 compound treatment 0.247 -7.42E-4 -0.03 0.252 0.00997 0.46 0.3032 0.6631 1652358 TimTec1_003136 CCC(=O)Nc1ccc(cc1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O13 compound treatment 0.246 -0.00174 -0.06 0.256 0.014 0.64 0.4064 0.6322 1308315 TimTec1_003137 COc1cc2cc3c(=O)oc(nc3nc2cc1OC)c4ccccc4F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O14 compound treatment 0.264 0.0163 0.6 0.279 0.037 1.69 1.6245 0.9038 1329048 TimTec1_003138 Cc1cc(Br)ccc1OCC(=O)NCCC2=CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O15 compound treatment 0.256 0.00826 0.31 0.249 0.00697 0.32 0.4428 0.9998 3083338 TimTec1_003139 Oc1nc(SCC(=O)N2CCOCC2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O16 compound treatment 0.257 0.00926 0.34 0.268 0.026 1.19 1.0842 0.8759 3210038 TimTec1_003140 O/N=C/c1ccc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O17 compound treatment 0.276 0.0283 1.05 0.263 0.021 0.96 1.4221 0.999 1730029 TimTec1_003141 CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)NC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O18 compound treatment 0.252 0.00426 0.16 0.256 0.014 0.64 0.5642 0.8563 3083340 TimTec1_003142 N#CC[N+]1(CCN2CC1)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O19 compound treatment 0.247 -7.42E-4 -0.03 0.245 0.00297 0.14 0.0766 0.5522 3083341 TimTec1_003143 CC1(C)C=C(C(=O)N)C(C)(C)N1OC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O20 compound treatment 0.245 -0.00274 -0.1 0.244 0.00197 0.09 -0.0084 -0.0618 1600220 TimTec1_003144 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O21 compound treatment 0.251 0.00326 0.12 0.257 0.015 0.69 0.5703 0.8194 3083344 TimTec1_003145 CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O22 compound treatment 0.265 0.0173 0.64 0.274 0.032 1.46 1.4889 0.9316 1287628 TimTec1_003146 COc1ccc(NC(=O)CCC(=O)Oc2ccc(C)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O23 mock treatment 0.254 0.00626 0.23 0.247 0.00497 0.23 0.3254 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 O24 mock treatment 0.249 0.00126 0.05 0.247 0.00497 0.23 0.1939 0.8351 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P01 compound treatment 0.218 -0.0297 -1.11 0.236 -0.00603 -0.28 -0.9775 -0.8573 1410014 TimTec1_003147 Clc1ncccc1C(=O)NCCC(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P02 compound treatment 0.223 -0.0247 -0.92 0.236 -0.00603 -0.28 -0.846 -0.8805 1029200 TimTec1_003148 CN(C(=O)c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P03 compound treatment 0.283 0.0353 1.31 0.294 0.052 2.38 2.6098 0.9606 3210039 TimTec1_003149 Cc1ccc(C)c(c1)c2csc(NC(=O)CCCc3ccccc3)c2C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P04 compound treatment 0.234 -0.0137 -0.51 0.242 -3.23E-5 0.0 -0.3625 -0.7091 1021206 TimTec1_003150 O=C(Cc1ccccc1)NCC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P05 compound treatment 0.248 2.58E-4 0.01 0.25 0.00797 0.36 0.2648 0.7255 3083347 TimTec1_003151 COC(=O)c1cc(NC(=S)NN(C)C)ccc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P06 compound treatment 0.244 -0.00374 -0.14 0.26 0.018 0.82 0.4833 0.5792 3210040 TimTec1_003152 CC(C)(C)N(Cc1ccccc1)C(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P07 compound treatment 0.258 0.0103 0.38 0.261 0.019 0.87 0.8839 0.9318 3083349 TimTec1_003153 COc1ccc(CSc2nnc(SCc3ccc(cc3)C(=O)O)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P08 compound treatment 0.232 -0.0157 -0.59 0.241 -0.00103 -0.05 -0.4474 -0.7617 1063128 TimTec1_003154 Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P09 compound treatment 0.267 0.0193 0.72 0.274 0.032 1.46 1.5415 0.9459 3210041 TimTec1_003155 Sc1nnc(c2ccccc2)n1/N=C\c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P10 compound treatment 0.23 -0.0177 -0.66 0.244 0.00197 0.09 -0.4029 -0.605 3083351 TimTec1_003156 COc1ccccc1CNS(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P11 compound treatment 0.272 0.0243 0.9 0.25 0.00797 0.36 0.896 0.9206 1530173 TimTec1_003157 CC(C)(C)c1cc(Sc2nc(nc(n2)N3CCOCC3)N4CCOCC4)cc(c1O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P12 compound treatment 0.238 -0.00974 -0.36 0.242 -3.23E-5 0.0 -0.2573 -0.71 3083353 TimTec1_003158 CCN(CC)S(=O)(=O)c1c(C)cc(C)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P13 compound treatment 0.24 -0.00774 -0.29 0.254 0.012 0.55 0.1839 0.297 1546315 TimTec1_003159 Cc1c(CCNC2=CC(=O)OC32CCCCC3)c4ccccc4n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P14 compound treatment 0.236 -0.0117 -0.44 0.245 0.00297 0.14 -0.2127 -0.4651 1177659 TimTec1_003160 Cc1cccc(c1)C(=O)N2CCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P15 compound treatment 0.254 0.00626 0.23 0.255 0.013 0.59 0.5844 0.9164 3210042 TimTec1_003161 CC(C)c1cc(C)ccc1OCCSc2nc(N)cc(N)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P16 compound treatment 0.241 -0.00674 -0.25 0.242 -3.23E-5 0.0 -0.1784 -0.7113 3083357 TimTec1_003162 COC(=O)CNC(=O)c1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P17 compound treatment 0.255 0.00726 0.27 0.237 -0.00503 -0.23 0.028 0.0788 1308187 TimTec1_003163 Cc1cc(C)n(n1)c2ccc(Cl)c(c2)C(=O)OCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P18 compound treatment 0.237 -0.0107 -0.4 0.246 0.00397 0.18 -0.1541 -0.351 3083360 TimTec1_003164 CC(C)C(=O)N1CCCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P19 compound treatment 0.249 0.00126 0.05 0.247 0.00497 0.23 0.1939 0.8351 1157157 TimTec1_003165 Cc1ccc(C)n1c2cccc(c2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P20 compound treatment 0.244 -0.00374 -0.14 0.244 0.00197 0.09 -0.0347 -0.2093 1466847 TimTec1_003166 COc1ccccc1N2CCN(CC2)S(=O)(=O)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P21 compound treatment 0.243 -0.00474 -0.18 0.243 9.68E-4 0.04 -0.0934 -0.5135 3210043 TimTec1_003167 CC1CCN(CC1)C(=O)c2ccccc2Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P22 compound treatment 0.243 -0.00474 -0.18 0.229 -0.013 -0.6 -0.5467 -0.8785 1611033 TimTec1_003168 Cc1ccccc1NS(=O)(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P23 mock treatment 0.241 -0.00674 -0.25 0.233 -0.00903 -0.41 -0.4698 -0.9713 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2071 P24 mock treatment 0.204 -0.0437 -1.63 0.213 -0.029 -1.33 -2.0904 -0.995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A01 compound treatment 0.192 -0.0546 -2.03 0.18 -0.0677 -3.1 -3.629 -0.979 1249702 TimTec1_003169 CC1CCCCN1S(=O)(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A02 compound treatment 0.237 -0.00961 -0.36 0.203 -0.0447 -2.05 -1.7008 -0.8182 3210166 TimTec1_003170 CCC(C(=O)N(C)c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A03 compound treatment 0.24 -0.00661 -0.25 0.226 -0.0217 -0.99 -0.8773 -0.8562 1568702 TimTec1_003171 Cc1ccc(cc1C)C(=O)NCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A04 compound treatment 0.234 -0.0126 -0.47 0.22 -0.0277 -1.27 -1.2293 -0.9084 1300542 TimTec1_003172 O=C(CN1C(=O)c2ccccc2C1=O)NCC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A05 compound treatment 0.239 -0.00761 -0.28 0.218 -0.0297 -1.36 -1.1626 -0.8363 3210167 TimTec1_003173 COc1cccc(c1)C(=O)N(CC=C)CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A06 compound treatment 0.228 -0.0186 -0.69 0.227 -0.0207 -0.95 -1.1605 -0.988 3083365 TimTec1_003174 CN(C)S(=O)(=O)NCc1ccc(C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A07 compound treatment 0.236 -0.0106 -0.39 0.231 -0.0167 -0.77 -0.8206 -0.9525 3083366 TimTec1_003175 CC(=O)N1CCc2ccccc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A08 compound treatment 0.241 -0.00561 -0.21 0.233 -0.0147 -0.67 -0.6243 -0.8846 3210168 TimTec1_003176 CC1CC(C)CN(C1)C(=O)CCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A09 compound treatment 0.27 0.0234 0.87 0.252 0.00428 0.2 0.7535 0.8451 1737672 TimTec1_003177 O=C(CC(c1ccccc1)c2ccccc2)NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A10 compound treatment 0.242 -0.00461 -0.17 0.234 -0.0137 -0.63 -0.5657 -0.8684 3083369 TimTec1_003178 CCN(C(=O)CC(C)(C)C)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A11 compound treatment 0.274 0.0274 1.02 0.257 0.00928 0.42 1.0206 0.9248 1464313 TimTec1_003179 CCc1ccc(NC(=O)c2ccc3OCOc3c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A12 compound treatment 0.253 0.00639 0.24 0.255 0.00728 0.33 0.4036 0.9863 1608343 TimTec1_003180 COc1cc(SC)ccc1C(=O)Nc2ccccc2C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A13 compound treatment 0.268 0.0214 0.8 0.267 0.0193 0.88 1.1866 0.9987 1728662 TimTec1_003181 CC(=O)Nc1ccc(NC(=O)CC(c2ccccc2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A14 compound treatment 0.235 -0.0116 -0.43 0.235 -0.0127 -0.58 -0.7174 -0.9892 1565572 TimTec1_003182 CCOC(=O)C1CCCN(C1)C(=O)c2cccc(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A15 compound treatment 0.235 -0.0116 -0.43 0.236 -0.0117 -0.54 -0.685 -0.9942 1573195 TimTec1_003183 CC(C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A16 compound treatment 0.241 -0.00561 -0.21 0.234 -0.0137 -0.63 -0.592 -0.894 1133863 TimTec1_003184 COCC(C)NC(=O)c1ccc(NC(=O)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A17 compound treatment 0.233 -0.0136 -0.51 0.236 -0.0117 -0.54 -0.7376 -0.9996 1299790 TimTec1_003185 CC(Oc1ccccc1)C(=O)N(CC#N)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A18 compound treatment 0.237 -0.00961 -0.36 0.232 -0.0157 -0.72 -0.7619 -0.9478 1542766 TimTec1_003186 CCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A19 compound treatment 0.223 -0.0236 -0.88 0.221 -0.0267 -1.22 -1.4863 -0.9868 1681120 TimTec1_003187 CCC(C)C(=O)N1CCN(CC1)c2cccc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A20 compound treatment 0.243 -0.00361 -0.13 0.216 -0.0317 -1.45 -1.1221 -0.7692 3210169 TimTec1_003188 Cn1nc(cc1C(=O)O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A21 compound treatment 0.21 -0.0366 -1.36 0.207 -0.0407 -1.86 -2.2815 -0.9881 3083375 TimTec1_003189 CCC(C)C(=O)Nc1cccc(c1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A22 compound treatment 0.263 0.0164 0.61 0.244 -0.00372 -0.17 0.3104 0.4905 1652746 TimTec1_003190 COc1ccc(cc1)C2C=C(NC(=O)C2C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A23 mock treatment 0.207 -0.0396 -1.47 0.195 -0.0527 -2.41 -2.7489 -0.9719 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 A24 mock treatment 0.179 -0.0676 -2.51 0.166 -0.0817 -3.74 -4.4242 -0.9813 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B01 compound treatment 0.242 -0.00461 -0.17 0.239 -0.00872 -0.4 -0.4038 -0.9288 1388587 TimTec1_003191 O=S(=O)(NCCN1CCOCC1)c2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B02 compound treatment 0.285 0.0384 1.43 0.28 0.0323 1.48 2.0546 0.9999 1707122 TimTec1_003192 COc1cc(cc(Cl)c1O)C2CSc3nc4sc5CCCCc5c4c(=O)n23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B03 compound treatment 0.263 0.0164 0.61 0.262 0.0143 0.65 0.8932 0.9994 1004002 TimTec1_003193 Nc1ccc(I)cc1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B04 compound treatment 0.277 0.0304 1.13 0.271 0.0233 1.07 1.5528 0.9996 1150946 TimTec1_003194 O=C1CC(C2COC1O2)N3c4cccc5cccc(c45)S3(=O)=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B05 compound treatment 0.257 0.0104 0.39 0.256 0.00828 0.38 0.5411 1.0 1120723 TimTec1_003195 CC(=O)Nc1cccc(OC(=O)c2ccoc2C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B06 compound treatment 0.251 0.00439 0.16 0.238 -0.00972 -0.45 -0.1994 -0.4206 1185449 TimTec1_003196 CCCC(C(=O)N)C1=NC2(CCCCC2)Cc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B07 compound treatment 0.261 0.0144 0.54 0.259 0.0113 0.52 0.7435 0.9998 3083393 TimTec1_003197 Fc1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B08 compound treatment 0.295 0.0484 1.8 0.301 0.0533 2.44 2.9975 0.9888 3210170 TimTec1_003198 OC(=O)c1ccc(/C=N/N2C(=O)c3cccc4cccc(C2=O)c34)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B09 compound treatment 0.254 0.00739 0.27 0.257 0.00928 0.42 0.4946 0.9778 3083394 TimTec1_003199 FC(F)(F)C(NC(=O)c1ccco1)(NC2=NCCS2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B10 compound treatment 0.254 0.00739 0.27 0.255 0.00728 0.33 0.4299 0.9954 3210171 TimTec1_003200 Cc1nn(C)c(C)c1/C=C/C(=O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B11 compound treatment 0.261 0.0144 0.54 0.258 0.0103 0.47 0.7111 0.9979 3210172 TimTec1_003201 COc1ccc(cc1)C2=C(Nc3ccc(cc3)C(=O)N4CCOCC4)c5ccccc5C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B12 compound treatment 0.272 0.0254 0.94 0.266 0.0183 0.84 1.2594 0.9982 1429954 TimTec1_003202 CC(=O)ON1C(=O)c2cccc3c(Br)ccc(C1=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B13 compound treatment 0.263 0.0164 0.61 0.262 0.0143 0.65 0.8932 0.9994 1329559 TimTec1_003203 COC(=O)c1ccccc1N(C)C(=O)c2cccc(c2)S(=O)(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B14 compound treatment 0.255 0.00839 0.31 0.253 0.00528 0.24 0.3914 0.992 1642501 TimTec1_003204 CC(C)c1ccc(Nc2nc(nc(n2)N3CCCCC3)N4CCCCC4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B15 compound treatment 0.248 0.00139 0.05 0.256 0.00828 0.38 0.3044 0.796 3083396 TimTec1_003205 CC/N=C/1\SC(CC(=O)N1CC)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B16 compound treatment 0.265 0.0184 0.68 0.265 0.0173 0.79 1.0429 0.9974 1410726 TimTec1_003206 COc1cccc(c1)c2nnc(SCc3ccc(cc3)C(=O)O)n2CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B17 compound treatment 0.26 0.0134 0.5 0.258 0.0103 0.47 0.6848 0.9996 3083397 TimTec1_003207 FC(F)(F)c1cccc(c1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B18 compound treatment 0.26 0.0134 0.5 0.257 0.00928 0.42 0.6524 0.9969 3210173 TimTec1_003208 COC(=O)c1ccc(/C=C/2\SC(=N)NC2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B19 compound treatment 0.259 0.0124 0.46 0.258 0.0103 0.47 0.6585 0.9999 3210174 TimTec1_003209 OC1(CC(NO1)c2ccccc2)C3(O)CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B20 compound treatment 0.256 0.00939 0.35 0.254 0.00628 0.29 0.4501 0.9953 1622985 TimTec1_003210 O=C1C2CC=CCC2C(=O)N1C3CC(=O)C4OCC3O4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B21 compound treatment 0.258 0.0114 0.42 0.258 0.0103 0.47 0.6322 0.9986 1582803 TimTec1_003211 Nn1c(COc2ccc(Cl)cc2)nc3ccccc3c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B22 compound treatment 0.255 0.00839 0.31 0.254 0.00628 0.29 0.4238 0.9992 3083401 TimTec1_003212 OC(=O)CCc1nn2c3ccccc3nc2[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B23 mock treatment 0.253 0.00639 0.24 0.254 0.00628 0.29 0.3712 0.9955 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 B24 mock treatment 0.245 -0.00161 -0.06 0.237 -0.0107 -0.49 -0.3896 -0.7876 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C01 compound treatment 0.297 0.0504 1.87 0.279 0.0313 1.43 2.3378 0.9912 1543604 TimTec1_003213 O=S(=O)(Cc1ccccc1)Nc2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C02 compound treatment 0.244 -0.00261 -0.1 0.245 -0.00272 -0.12 -0.1569 -0.9924 3083402 TimTec1_003214 CN(C(=O)Cc1cccs1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C03 compound treatment 0.242 -0.00461 -0.17 0.244 -0.00372 -0.17 -0.2419 -1.0 1605314 TimTec1_003215 CCCNC(=O)c1ccc(OCC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C04 compound treatment 0.248 0.00139 0.05 0.246 -0.00172 -0.08 -0.0193 -0.2051 1295085 TimTec1_003216 O=C(COc1ccccc1)N(Cc2ccccc2)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C05 compound treatment 0.244 -0.00261 -0.1 0.245 -0.00272 -0.12 -0.1569 -0.9924 3083405 TimTec1_003217 COc1cccc(c1)C(=O)N2CCCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C06 compound treatment 0.245 -0.00161 -0.06 0.245 -0.00272 -0.12 -0.1306 -0.9437 3210175 TimTec1_003218 CC(C)CC(=O)NCc1ccc(C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C07 compound treatment 0.242 -0.00461 -0.17 0.24 -0.00772 -0.35 -0.3714 -0.9448 3083407 TimTec1_003219 CCCNC(=O)c1ccccc1OC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C08 compound treatment 0.253 0.00639 0.24 0.253 0.00528 0.24 0.3388 1.0 3210176 TimTec1_003220 CCN(C(=O)CCc1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C09 compound treatment 0.275 0.0284 1.06 0.28 0.0323 1.48 1.7916 0.9864 1655477 TimTec1_003221 O=C(CC(c1ccccc1)c2ccccc2)Nc3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C10 compound treatment 0.248 0.00139 0.05 0.248 2.76E-4 0.01 0.0454 0.855 1506281 TimTec1_003222 COc1cc(NC(=O)CC(C)(C)C)c(OC)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C11 compound treatment 0.242 -0.00461 -0.17 0.242 -0.00572 -0.26 -0.3067 -0.9789 1163628 TimTec1_003223 CCN(CC)C(=O)C1c2ccccc2Oc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C12 compound treatment 0.246 -6.13E-4 -0.02 0.25 0.00228 0.1 0.0576 0.5396 3083410 TimTec1_003224 CCC(C)C(=O)NCCc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C13 compound treatment 0.246 -6.13E-4 -0.02 0.248 2.76E-4 0.01 -0.0072 -0.2758 3210177 TimTec1_003225 CCOc1ccc(cc1)C(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C14 compound treatment 0.244 -0.00261 -0.1 0.245 -0.00272 -0.12 -0.1569 -0.9924 3083413 TimTec1_003226 COCC(C)NC(=O)c1cccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C15 compound treatment 0.24 -0.00661 -0.25 0.239 -0.00872 -0.4 -0.4564 -0.9729 3210178 TimTec1_003227 CC(C)CCNC(=O)c1ccccc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C16 compound treatment 0.251 0.00439 0.16 0.25 0.00228 0.1 0.1891 0.9765 1703463 TimTec1_003228 COCC(C)NC(=O)c1ccc(OC(=O)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C17 compound treatment 0.246 -6.13E-4 -0.02 0.248 2.76E-4 0.01 -0.0072 -0.2758 1178243 TimTec1_003229 CCC(C(=O)NCc1ccccn1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C18 compound treatment 0.255 0.00839 0.31 0.253 0.00528 0.24 0.3914 0.992 1572580 TimTec1_003230 CCOC(=O)C1CCCN(C1)C(=O)CCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C19 compound treatment 0.241 -0.00561 -0.21 0.242 -0.00572 -0.26 -0.333 -0.9936 3083416 TimTec1_003231 CC(C)N(Cc1ccccc1)S(=O)(=O)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C20 compound treatment 0.248 0.00139 0.05 0.246 -0.00172 -0.08 -0.0193 -0.2051 1144496 TimTec1_003232 C=CCN(CC=C)C(=O)C1c2ccccc2Oc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C21 compound treatment 0.242 -0.00461 -0.17 0.241 -0.00672 -0.31 -0.339 -0.9619 3083418 TimTec1_003233 Brc1ccc(CC(=O)N(CC=C)CC=C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C22 compound treatment 0.241 -0.00561 -0.21 0.237 -0.0107 -0.49 -0.4948 -0.9274 1605852 TimTec1_003234 CCOC(=O)N1CCN(CC1)c2ccc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C23 mock treatment 0.238 -0.00861 -0.32 0.239 -0.00872 -0.4 -0.509 -0.994 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 C24 mock treatment 0.228 -0.0186 -0.69 0.211 -0.0367 -1.68 -1.6785 -0.9231 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D01 compound treatment 0.243 -0.00361 -0.13 0.233 -0.0147 -0.67 -0.5717 -0.8317 3083420 TimTec1_003235 Cc1cccc(C)c1NC(=O)CCCSc2nnnn2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D02 compound treatment 0.249 0.00239 0.09 0.249 0.00128 0.06 0.1041 0.9794 1267320 TimTec1_003236 O=C1CC(C2COC1O2)n3nc(Nc4ccccc4)n(c5ccccc5)c3=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D03 compound treatment 0.257 0.0104 0.39 0.256 0.00828 0.38 0.5411 1.0 3083422 TimTec1_003237 CN1[C@@H]([C@H](CC1=O)C(=O)O)c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D04 compound treatment 0.249 0.00239 0.09 0.248 2.76E-4 0.01 0.0717 0.7996 3210297 TimTec1_003238 Cc1[nH]c2ccccc2c1CCNCC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D05 compound treatment 0.256 0.00939 0.35 0.253 0.00528 0.24 0.4177 0.9838 1689355 TimTec1_003239 COc1ccc(NC(=O)NC2c3ccccc3Oc4ccccc24)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D06 compound treatment 0.252 0.00539 0.2 0.251 0.00328 0.15 0.2477 0.9898 3083425 TimTec1_003240 Cc1nnc(c2ccccc2)c(=O)n1/N=C/c3ccc4OCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D07 compound treatment 0.267 0.0204 0.76 0.263 0.0153 0.7 1.0308 0.9992 1601274 TimTec1_003241 Cc1ccc(cc1)n2c(SCC(=O)N)nc3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D08 compound treatment 0.251 0.00439 0.16 0.251 0.00328 0.15 0.2214 0.9991 1532590 TimTec1_003242 C(NC1CCCCC1)c2cccn2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D09 compound treatment 0.299 0.0524 1.95 0.3 0.0523 2.39 3.0703 0.9948 3210298 TimTec1_003243 NNc1nc(NN)nc(Nc2cccc(c2)C(F)(F)F)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D10 compound treatment 0.253 0.00639 0.24 0.252 0.00428 0.2 0.3064 0.9954 3083428 TimTec1_003244 Cc1cc(n2ncnc2n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D11 compound treatment 0.288 0.0414 1.54 0.287 0.0393 1.8 2.3601 0.997 3210299 TimTec1_003245 NC1=C(C#N)C(C2=C(CCC2)N1c3sc4CCCCc4c3C#N)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D12 compound treatment 0.248 0.00139 0.05 0.25 0.00228 0.1 0.1102 0.9474 3083430 TimTec1_003246 COc1ccc(cc1)C2CC(=NO2)C3(C)CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D13 compound treatment 0.268 0.0214 0.8 0.266 0.0183 0.84 1.1542 0.9997 1610817 TimTec1_003247 CCC1OC(=Nc2ccccc12)c3cccc(OC)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D14 compound treatment 0.336 0.0894 3.32 0.342 0.0943 4.32 5.4033 0.9917 3083432 TimTec1_003248 Cc1ccc(CCSc2ccc(Cl)c(Cl)c2)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D15 compound treatment 0.278 0.0314 1.17 0.276 0.0283 1.29 1.741 0.9987 3210300 TimTec1_003249 Cc1c(CCNC(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)c3ccccc3n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D16 compound treatment 0.27 0.0234 0.87 0.272 0.0243 1.11 1.4011 0.9926 3083457 TimTec1_003250 Brc1ccc(CSc2nccn2Cc3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D17 compound treatment 0.266 0.0194 0.72 0.262 0.0143 0.65 0.9721 0.9988 1520066 TimTec1_003251 CC1CCCN(C1C)S(=O)(=O)c2cccc3c(cccc23)S(=O)(=O)N4CCCC(C)C4C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D18 compound treatment 0.274 0.0274 1.02 0.265 0.0173 0.79 1.2796 0.9922 3083459 TimTec1_003252 NC(=O)SCC(=O)Nc1ccc(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D19 compound treatment 0.321 0.0744 2.77 0.314 0.0663 3.03 4.1022 0.9989 3210301 TimTec1_003253 Nc1cc(=O)[nH]c(S/C=C/c2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D20 compound treatment 0.245 -0.00161 -0.06 0.245 -0.00272 -0.12 -0.1306 -0.9437 3083461 TimTec1_003254 C=CCS/C(=N\n1cnc2ccccc2c1=O)/N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D21 compound treatment 0.276 0.0294 1.09 0.269 0.0213 0.97 1.4617 0.9984 1275489 TimTec1_003255 CCOC(=O)C1=C(NC(=O)C(C#N)C21CCCCC2)SCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D22 compound treatment 0.262 0.0154 0.57 0.262 0.0143 0.65 0.8669 0.9978 1429911 TimTec1_003256 O=C(CSc1nc2ccccc2s1)Nc3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D23 mock treatment 0.252 0.00539 0.2 0.25 0.00228 0.1 0.2154 0.9536 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 D24 mock treatment 0.244 -0.00261 -0.1 0.242 -0.00572 -0.26 -0.254 -0.9088 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E01 compound treatment 0.253 0.00639 0.24 0.241 -0.00672 -0.31 -0.0497 -0.1278 1553246 TimTec1_003257 Brc1cccc(c1)C(=O)N2CCc3ccccc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E02 compound treatment 0.252 0.00539 0.2 0.252 0.00428 0.2 0.2801 0.9999 3083464 TimTec1_003258 CN(C)S(=O)(=O)N(C)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E03 compound treatment 0.284 0.0374 1.39 0.273 0.0253 1.16 1.8017 0.9958 1180821 TimTec1_003259 CCOc1ccc(cc1)C(=O)NC(C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E04 compound treatment 0.258 0.0114 0.42 0.257 0.00928 0.42 0.5998 1.0 1212826 TimTec1_003260 CCOC(=O)C1CCN(CC1)C(=O)COc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E05 compound treatment 0.254 0.00739 0.27 0.255 0.00728 0.33 0.4299 0.9954 3210302 TimTec1_003261 CCN(CC)C(=O)c1cccc(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E06 compound treatment 0.259 0.0124 0.46 0.254 0.00628 0.29 0.529 0.9742 3210303 TimTec1_003262 CCCC(C)C(=O)NCc1ccc(C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E07 compound treatment 0.261 0.0144 0.54 0.258 0.0103 0.47 0.7111 0.9979 1476178 TimTec1_003263 CC1CC(C)CN(C1)C(=O)c2ccccc2OC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E08 compound treatment 0.262 0.0154 0.57 0.263 0.0153 0.7 0.8993 0.995 3210304 TimTec1_003264 CCN(C1CCCCC1)C(=O)CCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E09 compound treatment 0.256 0.00939 0.35 0.254 0.00628 0.29 0.4501 0.9953 1131761 TimTec1_003265 COc1ccccc1CC(=O)NC2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E10 compound treatment 0.26 0.0134 0.5 0.259 0.0113 0.52 0.7172 0.9998 1709116 TimTec1_003266 CC(C)(C)CC(=O)NCc1ccc(cc1)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E11 compound treatment 0.266 0.0194 0.72 0.271 0.0233 1.07 1.2635 0.9819 1613437 TimTec1_003267 O=C(NC1CCCC1)C2c3ccccc3Oc4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E12 compound treatment 0.26 0.0134 0.5 0.262 0.0143 0.65 0.8143 0.991 1434161 TimTec1_003268 CCCC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E13 compound treatment 0.296 0.0494 1.84 0.3 0.0523 2.39 2.9914 0.9915 1616704 TimTec1_003269 NC(=O)c1ccccc1NC(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E14 compound treatment 0.255 0.00839 0.31 0.254 0.00628 0.29 0.4238 0.9992 1260520 TimTec1_003270 CCOC(=O)C1CCCN(C1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E15 compound treatment 0.258 0.0114 0.42 0.257 0.00928 0.42 0.5998 1.0 3083469 TimTec1_003271 CC(C)CCNC(=O)c1cccc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E16 compound treatment 0.258 0.0114 0.42 0.257 0.00928 0.42 0.5998 1.0 1590237 TimTec1_003272 CCC(CC)NC(=O)Cc1ccccc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E17 compound treatment 0.259 0.0124 0.46 0.259 0.0113 0.52 0.6909 0.9984 1731442 TimTec1_003273 CC(C)(C)CC(=O)NCc1ccccn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E18 compound treatment 0.264 0.0174 0.65 0.262 0.0143 0.65 0.9195 1.0 1659601 TimTec1_003274 CCOC(=O)c1cccc(NC(=O)C(C)(C)CC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E19 compound treatment 0.251 0.00439 0.16 0.251 0.00328 0.15 0.2214 0.9991 1275025 TimTec1_003275 CC(C)N(Cc1ccccc1)C(=O)COc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E20 compound treatment 0.259 0.0124 0.46 0.257 0.00928 0.42 0.6261 0.9992 1917477 TimTec1_003276 CC(=O)N1[C@@H](CS[C@@H]1c2ccc(F)cc2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E21 compound treatment 0.254 0.00739 0.27 0.256 0.00828 0.38 0.4622 0.9875 3210305 TimTec1_003277 CC(NS(=O)(=O)N(C)C)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E22 compound treatment 0.275 0.0284 1.06 0.261 0.0133 0.61 1.1764 0.9656 1301346 TimTec1_003278 CC(=O)Nc1ccc(OS(=O)Nc2nnc(C)c3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E23 mock treatment 0.252 0.00539 0.2 0.251 0.00328 0.15 0.2477 0.9898 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 E24 mock treatment 0.245 -0.00161 -0.06 0.239 -0.00872 -0.4 -0.3249 -0.8043 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F01 compound treatment 0.241 -0.00561 -0.21 0.246 -0.00172 -0.08 -0.2034 -0.9115 3210306 TimTec1_003279 COc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F02 compound treatment 0.244 -0.00261 -0.1 0.243 -0.00472 -0.22 -0.2217 -0.9348 3210307 TimTec1_003280 CCC(NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F03 compound treatment 0.266 0.0194 0.72 0.264 0.0163 0.75 1.0369 0.9999 1357383 TimTec1_003281 CC(=CCNc1ncnc2nc[nH]c12)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F04 compound treatment 0.272 0.0254 0.94 0.272 0.0243 1.11 1.4537 0.9967 1458922 TimTec1_003282 COc1ccc(CCNC(=O)Cc2c(SC)c3ccccc3n2Cc4ccccc4)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F05 compound treatment 0.876 0.629 23.41 0.761 0.513 23.5 33.1714 1.0 3210308 TimTec1_003283 CC(C)(C)N1C(=O)NC(=O)/C(=C/c2cc3ccccc3[nH]2)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F06 compound treatment 0.258 0.0114 0.42 0.259 0.0113 0.52 0.6646 0.9952 1611563 TimTec1_003284 Cc1cc(c2ncccc2c1)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F07 compound treatment 0.279 0.0324 1.2 0.275 0.0273 1.25 1.7349 0.9998 1415079 TimTec1_003285 Cc1ccc(cc1)n2c(SCC(=O)Nc3c(C)cccc3C)nc4ccccc4c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F08 compound treatment 0.263 0.0164 0.61 0.262 0.0143 0.65 0.8932 0.9994 1631498 TimTec1_003286 COC(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F09 compound treatment 0.274 0.0274 1.02 0.272 0.0243 1.11 1.5063 0.9991 1658377 TimTec1_003287 C1CC1C#CC(N2CCOCC2)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F10 compound treatment 0.263 0.0164 0.61 0.265 0.0173 0.79 0.9903 0.9917 1133097 TimTec1_003288 COC(=O)CNS(=O)(=O)c1ccc(I)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F11 compound treatment 0.26 0.0134 0.5 0.263 0.0153 0.7 0.8467 0.9861 3210422 TimTec1_003289 COc1ccc(/C=C\2/C3CCC(C)(C2=O)C3(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F12 compound treatment 0.295 0.0484 1.8 0.3 0.0523 2.39 2.9651 0.9901 1395696 TimTec1_003290 CCOC(=O)Oc1c(Cl)cc2oc(=O)sc2c1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F13 compound treatment 0.27 0.0234 0.87 0.269 0.0213 0.97 1.3039 0.9984 1432636 TimTec1_003291 Clc1ccc(cc1)C(=O)CCNc2ccc(Cc3ccncc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F14 compound treatment 0.262 0.0154 0.57 0.258 0.0103 0.47 0.7374 0.9953 3083482 TimTec1_003292 CC(=O)N/C(=C/c1ccccc1)/C(=O)Nc2ccc(I)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F15 compound treatment 0.27 0.0234 0.87 0.272 0.0243 1.11 1.4011 0.9926 1541061 TimTec1_003293 Cn1c(SCc2ccc3OCOc3c2)nc4ccccc4c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F16 compound treatment 0.266 0.0194 0.72 0.259 0.0113 0.52 0.875 0.9866 1611110 TimTec1_003294 O=C(CSc1nc2ccccc2o1)OCC(=O)N3c4ccccc4Sc5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F17 compound treatment 0.275 0.0284 1.06 0.271 0.0233 1.07 1.5002 1.0 1592970 TimTec1_003295 CC(C)CSc1cc(cc(c1C)S(=O)(=O)c2ccccc2)N3C(=O)c4ccccc4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F18 compound treatment 0.263 0.0164 0.61 0.261 0.0133 0.61 0.8608 1.0 1602870 TimTec1_003296 CC1CCCCN1S(=O)(=O)c2ccc(cc2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F19 compound treatment 0.264 0.0174 0.65 0.264 0.0163 0.75 0.9842 0.9975 1517220 TimTec1_003297 CCC(NS(=O)(=O)c1cc(C)ccc1OC)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F20 compound treatment 0.285 0.0384 1.43 0.278 0.0303 1.39 1.9898 0.9999 3083487 TimTec1_003298 Fc1ccc(COc2cccc(/C=C/3\NC(=S)NC3=O)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F21 compound treatment 0.262 0.0154 0.57 0.264 0.0163 0.75 0.9316 0.9915 1551647 TimTec1_003299 CCCc1nnc(s1)N(Cc2ccc(Cl)cc2)C(=O)c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F22 compound treatment 0.281 0.0344 1.28 0.276 0.0283 1.29 1.8199 1.0 3083489 TimTec1_003300 FC(F)(F)c1nc(SCc2ccccc2)c(C#N)cc1C(=O)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F23 mock treatment 0.261 0.0144 0.54 0.259 0.0113 0.52 0.7435 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 F24 mock treatment 0.255 0.00839 0.31 0.24 -0.00772 -0.35 -0.0295 -0.0625 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G01 compound treatment 0.244 -0.00261 -0.1 0.246 -0.00172 -0.08 -0.1245 -0.9947 1314654 TimTec1_003301 COc1ccc(CNC(=O)c2ccc(OC)cc2OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G02 compound treatment 0.249 0.00239 0.09 0.248 2.76E-4 0.01 0.0717 0.7996 1658255 TimTec1_003302 COc1cc(SC)ccc1C(=O)N(C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G03 compound treatment 0.246 -6.13E-4 -0.02 0.244 -0.00372 -0.17 -0.1367 -0.7946 1190937 TimTec1_003303 CCOc1ccc(cc1)C(=O)N2CC(C)CC(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G04 compound treatment 0.253 0.00639 0.24 0.253 0.00528 0.24 0.3388 1.0 3083492 TimTec1_003304 CCCC(C)C(=O)Nc1cccc(Br)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G05 compound treatment 0.251 0.00439 0.16 0.252 0.00428 0.2 0.2538 0.9959 3083496 TimTec1_003305 CCNC(=O)c1cccc(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G06 compound treatment 0.256 0.00939 0.35 0.258 0.0103 0.47 0.5796 0.9892 3210423 TimTec1_003306 COc1cc(SC)ccc1C(=O)NCCCn2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G07 compound treatment 0.263 0.0164 0.61 0.263 0.0153 0.7 0.9256 0.9976 1444060 TimTec1_003307 CC(=O)Oc1ccccc1C(=O)NCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G08 compound treatment 0.263 0.0164 0.61 0.259 0.0113 0.52 0.7961 0.9966 1696246 TimTec1_003308 CCC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G09 compound treatment 0.246 -6.13E-4 -0.02 0.247 -7.24E-4 -0.03 -0.0396 -0.9833 1723016 TimTec1_003309 O=C(NCCN1CCOCC1)c2ccccc2Oc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G10 compound treatment 0.259 0.0124 0.46 0.258 0.0103 0.47 0.6585 0.9999 3210424 TimTec1_003310 CN(C)S(=O)(=O)Nc1ccccc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G11 compound treatment 0.255 0.00839 0.31 0.254 0.00628 0.29 0.4238 0.9992 1134633 TimTec1_003311 CCN(Cc1ccccc1)C(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G12 compound treatment 0.265 0.0184 0.68 0.261 0.0133 0.61 0.9134 0.9983 1547792 TimTec1_003312 CCCC(C)C(=O)Nc1ccc(NC(=O)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G13 compound treatment 0.293 0.0464 1.73 0.288 0.0403 1.84 2.524 0.9994 3083508 TimTec1_003313 NC(=O)c1ccccc1NC(=O)c2cccc(Br)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G14 compound treatment 0.261 0.0144 0.54 0.26 0.0123 0.56 0.7758 0.9997 1361334 TimTec1_003314 COCC(C)NS(=O)(=O)c1c(C)cc(C)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G15 compound treatment 0.252 0.00539 0.2 0.253 0.00528 0.24 0.3125 0.9957 1303565 TimTec1_003315 CC(C)CCNS(=O)(=O)Cc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G16 compound treatment 0.247 3.87E-4 0.01 0.25 0.00228 0.1 0.0839 0.7972 1132078 TimTec1_003316 NS(=O)(=O)c1ccc(CCNC(=O)CC(c2ccccc2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G17 compound treatment 0.267 0.0204 0.76 0.261 0.0133 0.61 0.966 0.994 3084684 TimTec1_003317 Cc1cc(C)cc(NC(=O)Cc2cccs2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G18 compound treatment 0.263 0.0164 0.61 0.261 0.0133 0.61 0.8608 1.0 3084685 TimTec1_003318 CCC(C)(C)C(=O)N1CCC(CC1)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G19 compound treatment 0.255 0.00839 0.31 0.255 0.00728 0.33 0.4562 0.9995 1406144 TimTec1_003319 CC(Oc1ccccc1)C(=O)NC2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G20 compound treatment 0.253 0.00639 0.24 0.254 0.00628 0.29 0.3712 0.9955 3210425 TimTec1_003320 Cc1ccc(cc1)c2nc3sc4nc5ccccc5nc4n3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G21 compound treatment 0.254 0.00739 0.27 0.251 0.00328 0.15 0.3003 0.9595 1483366 TimTec1_003321 CCCC(C)C(=O)NCc1ccccc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G22 compound treatment 0.248 0.00139 0.05 0.245 -0.00272 -0.12 -0.0517 -0.3831 1622726 TimTec1_003322 O=C(NCCc1nc2ccccc2[nH]1)C3COc4ccccc4O3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G23 mock treatment 0.251 0.00439 0.16 0.247 -7.24E-4 -0.03 0.0919 0.5521 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 G24 mock treatment 0.258 0.0114 0.42 0.253 0.00528 0.24 0.4703 0.9645 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H01 compound treatment 0.253 0.00639 0.24 0.25 0.00228 0.1 0.2417 0.9316 3084686 TimTec1_003323 FC(F)(F)c1ccc(COc2ccc3cc(c4ccccn4)c(=O)oc3c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H02 compound treatment 0.25 0.00339 0.13 0.25 0.00228 0.1 0.1628 0.9956 1383752 TimTec1_003324 OC1(CC(=O)C2CC3CC2C=C3)C(=O)Nc4ccccc41 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H03 compound treatment 0.257 0.0104 0.39 0.259 0.0113 0.52 0.6383 0.9898 3084687 TimTec1_003325 CCOC(=O)c1cc(C(=O)OCC)n(C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H04 compound treatment 0.254 0.00739 0.27 0.254 0.00628 0.29 0.3975 0.9997 3210426 TimTec1_003326 Cc1ccccc1n2c(CSC(=N)N)nc3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H05 compound treatment 0.243 -0.00361 -0.13 0.244 -0.00372 -0.17 -0.2156 -0.9931 3084688 TimTec1_003327 O=C(N/C=N/C(=O)c1cccnc1)c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H06 compound treatment 0.256 0.00939 0.35 0.254 0.00628 0.29 0.4501 0.9953 1564884 TimTec1_003328 CN1CCN(CC1)S(=O)(=O)c2cccc3cccnc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H07 compound treatment 0.247 3.87E-4 0.01 0.248 2.76E-4 0.01 0.0191 0.9979 3210427 TimTec1_003329 Cc1ccc(cc1)n2c(SCC(=O)C(C)(C)C)nnc2c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H08 compound treatment 0.291 0.0444 1.65 0.285 0.0373 1.71 2.3743 0.9999 3084689 TimTec1_003330 Nc1nc(SCC#N)c(C#N)c(c1C#N)c2cccc(F)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H09 compound treatment 0.283 0.0364 1.35 0.279 0.0313 1.43 1.9696 0.9996 3210428 TimTec1_003331 CCC(=O)NC(Nc1sc2CCCc2c1C(=O)OC)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H10 compound treatment 0.258 0.0114 0.42 0.259 0.0113 0.52 0.6646 0.9952 3084690 TimTec1_003332 Cc1noc(c1I)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H11 compound treatment 0.246 -6.13E-4 -0.02 0.251 0.00328 0.15 0.0899 0.5928 3084691 TimTec1_003333 NC1=C(C#N)C(NN1c2ccccc2)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H12 compound treatment 0.256 0.00939 0.35 0.252 0.00428 0.2 0.3853 0.9626 1616513 TimTec1_003334 Ic1ccc(NC(=O)CC2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H13 compound treatment 0.28 0.0334 1.24 0.283 0.0353 1.62 2.0202 0.9916 3210429 TimTec1_003335 Cc1cc(C)c(C#N)c(SCSc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H14 compound treatment 0.256 0.00939 0.35 0.257 0.00928 0.42 0.5472 0.9953 3084692 TimTec1_003336 Cn1nnnc1SCC(=O)Nc2nccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H15 compound treatment 0.246 -6.13E-4 -0.02 0.243 -0.00472 -0.22 -0.1691 -0.7773 3210430 TimTec1_003337 Cc1ccc(cc1)C(=O)OCC2OC(O)C(O)C2OC(=O)c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H16 compound treatment 0.256 0.00939 0.35 0.255 0.00728 0.33 0.4825 0.9997 1327025 TimTec1_003338 CC1C2CC(CC1(C)C)N(C2)C(=O)c3ccc(cc3)N4C(=O)c5ccccc5C4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H17 compound treatment 0.315 0.0684 2.54 0.305 0.0573 2.62 3.653 0.9999 3084693 TimTec1_003339 COc1ccc2nc(N3CCCCC3)c(/C=C/4\N=C(OC4=O)c5ccccc5)cc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H18 compound treatment 0.249 0.00239 0.09 0.249 0.00128 0.06 0.1041 0.9794 3210431 TimTec1_003340 O=c1[nH]c(CN2CCCCC2)nc3c4ccccc4oc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H19 compound treatment 0.265 0.0184 0.68 0.265 0.0173 0.79 1.0429 0.9974 1074832 TimTec1_003341 OC(=O)CCN1CCCc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H20 compound treatment 0.311 0.0644 2.39 0.287 0.0393 1.8 2.965 0.99 3210432 TimTec1_003342 O=C1CC(S/C(=N/c2ccccc2)/Nc3ccccc3)C(=O)N1CCc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H21 compound treatment 0.264 0.0174 0.65 0.265 0.0173 0.79 1.0166 0.995 3084694 TimTec1_003343 COC(=O)C(CC(=O)c1ccc(Br)cc1)(Cc2ccc(Br)cc2)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H22 compound treatment 0.26 0.0134 0.5 0.256 0.00828 0.38 0.62 0.9909 3210433 TimTec1_003344 CC/C(=C\C(=O)c1ccc(Br)cc1)/O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H23 mock treatment 0.252 0.00539 0.2 0.252 0.00428 0.2 0.2801 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 H24 mock treatment 0.258 0.0114 0.42 0.253 0.00528 0.24 0.4703 0.9645 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I01 compound treatment 0.25 0.00339 0.13 0.251 0.00328 0.15 0.1951 0.9962 1172830 TimTec1_003345 COc1ccc(cc1OC)C(=O)N2CCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I02 compound treatment 0.251 0.00439 0.16 0.249 0.00128 0.06 0.1567 0.9041 3210434 TimTec1_003346 CCN(CC)C(=O)Cc1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I03 compound treatment 0.256 0.00939 0.35 0.256 0.00828 0.38 0.5148 0.9992 1474996 TimTec1_003347 CCOc1ccccc1NC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I04 compound treatment 0.258 0.0114 0.42 0.258 0.0103 0.47 0.6322 0.9986 1142378 TimTec1_003348 COc1ccc(CNS(=O)(=O)N(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I05 compound treatment 0.258 0.0114 0.42 0.253 0.00528 0.24 0.4703 0.9645 3210550 TimTec1_003349 COc1cccc(c1)C(=O)N2CCCCC2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I06 compound treatment 0.259 0.0124 0.46 0.256 0.00828 0.38 0.5937 0.9953 1492690 TimTec1_003350 COc1ccccc1NC(=O)Cc2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I07 compound treatment 0.262 0.0154 0.57 0.257 0.00928 0.42 0.705 0.9892 3210551 TimTec1_003351 CN(C)C(=O)c1ccccc1OC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I08 compound treatment 0.268 0.0214 0.8 0.267 0.0193 0.88 1.1866 0.9987 3084695 TimTec1_003352 O=C(Cc1cccs1)N2CCc3ccccc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I09 compound treatment 0.262 0.0154 0.57 0.261 0.0133 0.61 0.8345 0.9995 1220667 TimTec1_003353 COC(=O)c1ccccc1NC(=O)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I10 compound treatment 0.262 0.0154 0.57 0.26 0.0123 0.56 0.8021 1.0 3084696 TimTec1_003354 CCN(C1CCCCC1)C(=O)CC(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I11 compound treatment 0.258 0.0114 0.42 0.259 0.0113 0.52 0.6646 0.9952 1615201 TimTec1_003355 CCCCC(CC)C(=O)Nc1cc(OC)ccc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I12 compound treatment 0.262 0.0154 0.57 0.26 0.0123 0.56 0.8021 1.0 1644031 TimTec1_003356 CCCC(C)C(=O)NCc1ccncc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I13 compound treatment 0.268 0.0214 0.8 0.274 0.0263 1.2 1.4132 0.9798 1727106 TimTec1_003357 NC(=O)c1ccccc1NC(=O)CC(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I14 compound treatment 0.264 0.0174 0.65 0.26 0.0123 0.56 0.8547 0.9976 1241961 TimTec1_003358 COCC(C)NS(=O)(=O)c1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I15 compound treatment 0.251 0.00439 0.16 0.256 0.00828 0.38 0.3833 0.9291 3210552 TimTec1_003359 CC(C)(C)NC(=O)Cc1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I16 compound treatment 0.259 0.0124 0.46 0.256 0.00828 0.38 0.5937 0.9953 1125244 TimTec1_003360 CCC(CC)NC(=O)c1ccc2OCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I17 compound treatment 0.269 0.0224 0.83 0.268 0.0203 0.93 1.2453 0.9985 3084697 TimTec1_003361 CCC(C)(C)C(=O)Nc1cc(C)cc(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I18 compound treatment 0.268 0.0214 0.8 0.266 0.0183 0.84 1.1542 0.9997 1302744 TimTec1_003362 CCC(C)(C)C(=O)NCc1ccc2OCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I19 compound treatment 0.268 0.0214 0.8 0.264 0.0163 0.75 1.0895 0.9995 3084700 TimTec1_003363 Brc1ccc(CC(=O)Nc2nccs2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I20 compound treatment 0.237 -0.00961 -0.36 0.235 -0.0127 -0.58 -0.6648 -0.9725 3210553 TimTec1_003364 Cc1nn(c2OC(=C(C#N)C(c12)(C(F)(F)F)C(F)(F)F)N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I21 compound treatment 0.256 0.00939 0.35 0.256 0.00828 0.38 0.5148 0.9992 1183466 TimTec1_003365 COc1ccccc1CNC(=O)C(C)Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I22 compound treatment 0.261 0.0144 0.54 0.26 0.0123 0.56 0.7758 0.9997 1258450 TimTec1_003366 O=C1CS(=O)(=O)C(N1c2ccccc2)c3ccc(Oc4ccccc4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I23 mock treatment 0.26 0.0134 0.5 0.259 0.0113 0.52 0.7172 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 I24 mock treatment 0.259 0.0124 0.46 0.256 0.00828 0.38 0.5937 0.9953 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J01 compound treatment 0.246 -6.13E-4 -0.02 0.242 -0.00572 -0.26 -0.2014 -0.7657 1010972 TimTec1_003367 C(Cc1ccccn1)c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J02 compound treatment 0.273 0.0264 0.98 0.274 0.0263 1.2 1.5447 0.9949 1550058 TimTec1_003368 CC1(OC(=N)C2(C#N)C1c3ccccc3)OC(c4ccccc4)C2(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J03 compound treatment 0.255 0.00839 0.31 0.252 0.00428 0.2 0.359 0.9748 3084706 TimTec1_003369 OC(=O)c1ccn(COc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J04 compound treatment 0.287 0.0404 1.5 0.288 0.0403 1.84 2.3662 0.9948 1414868 TimTec1_003370 Oc1c(oc2ccccc2c1=O)c3ccc(F)c(Oc4ccccc4)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J05 compound treatment 0.259 0.0124 0.46 0.257 0.00928 0.42 0.6261 0.9992 3084708 TimTec1_003371 Cc1nnc(o1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J06 compound treatment 0.257 0.0104 0.39 0.258 0.0103 0.47 0.6059 0.9952 1397012 TimTec1_003372 OC(=O)c1cn(C2CC2)c3cc(N4CCN(CC4)C(=S)S)c(F)cc3c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J07 compound treatment 0.265 0.0184 0.68 0.257 0.00928 0.42 0.7839 0.9737 1297192 TimTec1_003373 CCOc1ccc(cc1)n2c(SCC(=O)N)nc3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J08 compound treatment 0.462 0.215 8.01 0.451 0.203 9.31 12.2462 0.9972 3210554 TimTec1_003374 Cc1ccc(Cl)cc1NCN2C(=O)/C(=C/c3ccc(Br)cc3)/NC2=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J09 compound treatment 0.257 0.0104 0.39 0.256 0.00828 0.38 0.5411 1.0 1683010 TimTec1_003375 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc4ncccc4C)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J10 compound treatment 0.258 0.0114 0.42 0.259 0.0113 0.52 0.6646 0.9952 1172443 TimTec1_003376 Oc1c(Br)cc(Br)cc1C(=O)CSC(=S)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J11 compound treatment 0.271 0.0244 0.91 0.281 0.0333 1.52 1.7188 0.9693 3210555 TimTec1_003377 CCn1c(NC(=O)COc2cccc(c2)C(F)(F)F)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J12 compound treatment 0.298 0.0514 1.91 0.295 0.0473 2.16 2.8821 0.9981 3084740 TimTec1_003378 CC1CN(C)C(C)/C(=C\c2ccco2)/C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J13 compound treatment 0.287 0.0404 1.5 0.289 0.0413 1.89 2.3986 0.9935 1131053 TimTec1_003379 Cc1ccc(cc1)c2nc3ccc(NCc4cccs4)cc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J14 compound treatment 0.251 0.00439 0.16 0.267 0.0193 0.88 0.7395 0.8239 3210556 TimTec1_003380 COc1ccc(cc1)C(=O)CSc2nn3c(SCC(=O)c4ccc(OC)cc4)nnc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J15 compound treatment 0.255 0.00839 0.31 0.255 0.00728 0.33 0.4562 0.9995 1251084 TimTec1_003381 C1Cc2cn(cc2CCc3cn(cc13)c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J16 compound treatment 0.306 0.0594 2.21 0.304 0.0563 2.58 3.3839 0.9971 1180362 TimTec1_003382 O=C(CSC1=NCCS1)Nc2nc(cs2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J17 compound treatment 0.264 0.0174 0.65 0.265 0.0173 0.79 1.0166 0.995 1305573 TimTec1_003383 CCCc1c(C)nc2c(C)cccc2c1SCCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J18 compound treatment 0.292 0.0454 1.69 0.281 0.0333 1.52 2.2711 0.9987 1123163 TimTec1_003384 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N2c3ccccc3Sc4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J19 compound treatment 0.28 0.0334 1.24 0.275 0.0273 1.25 1.7612 1.0 1426086 TimTec1_003385 OC(CSc1ncnc2[nH]cnc12)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J20 compound treatment 0.276 0.0294 1.09 0.276 0.0283 1.29 1.6884 0.9965 3210557 TimTec1_003386 NC(=O)/C(=C/1\C(=O)Nc2ccc(Br)cc12)/C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J21 compound treatment 0.301 0.0544 2.02 0.301 0.0533 2.44 3.1553 0.9957 3084745 TimTec1_003387 Oc1c(ccc2cccnc12)C(O)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J22 compound treatment 0.248 0.00139 0.05 0.252 0.00428 0.2 0.1749 0.864 1595988 TimTec1_003388 CCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)CNC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J23 mock treatment 0.256 0.00939 0.35 0.254 0.00628 0.29 0.4501 0.9953 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 J24 mock treatment 0.247 3.87E-4 0.01 0.248 2.76E-4 0.01 0.0191 0.9979 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K01 compound treatment 0.245 -0.00161 -0.06 0.242 -0.00572 -0.26 -0.2277 -0.8471 1244666 TimTec1_003389 COc1ccc(cc1OC)C(=O)N2CCC(Cc3ccccc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K02 compound treatment 0.254 0.00739 0.27 0.252 0.00428 0.2 0.3327 0.9862 3210558 TimTec1_003390 CCN(CC)C(=O)Cc1cccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K03 compound treatment 0.259 0.0124 0.46 0.252 0.00428 0.2 0.4642 0.9273 1215547 TimTec1_003391 O=C(N(CC#N)CC#N)c1ccco1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K04 compound treatment 0.25 0.00339 0.13 0.257 0.00928 0.42 0.3894 0.879 3210559 TimTec1_003392 CCc1ccccc1NC(=O)C(C)(C)CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K05 compound treatment 0.271 0.0244 0.91 0.27 0.0223 1.02 1.3626 0.9983 1650684 TimTec1_003393 O=C(NCC#N)c1ccc(cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K06 compound treatment 0.253 0.00639 0.24 0.254 0.00628 0.29 0.3712 0.9955 3210560 TimTec1_003394 CC1CN(CC(C)O1)C(=O)Cc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K07 compound treatment 0.253 0.00639 0.24 0.256 0.00828 0.38 0.4359 0.9747 3084750 TimTec1_003395 CNC(=O)c1ccc(cc1)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K08 compound treatment 0.263 0.0164 0.61 0.26 0.0123 0.56 0.8284 0.9992 3210561 TimTec1_003396 CCc1ccc(NC(=O)Cc2cccs2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K09 compound treatment 0.258 0.0114 0.42 0.262 0.0143 0.65 0.7617 0.9779 1267949 TimTec1_003397 CC(NC(=O)c1ccc2OCOc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K10 compound treatment 0.256 0.00939 0.35 0.257 0.00928 0.42 0.5472 0.9953 3084752 TimTec1_003398 CC(C)CC(=O)Nc1ccccc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K11 compound treatment 0.26 0.0134 0.5 0.261 0.0133 0.61 0.7819 0.9951 1245827 TimTec1_003399 CCOc1ccccc1C(=O)N(CC#N)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K12 compound treatment 0.252 0.00539 0.2 0.258 0.0103 0.47 0.4744 0.9276 1351900 TimTec1_003400 CC(Oc1ccccc1)C(=O)N2CCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K13 compound treatment 0.256 0.00939 0.35 0.263 0.0153 0.7 0.7415 0.9485 1440169 TimTec1_003401 CC(=O)Oc1ccccc1C(=O)Nc2ccc(cc2)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K14 compound treatment 0.252 0.00539 0.2 0.257 0.00928 0.42 0.442 0.9412 1291221 TimTec1_003402 CCOC(=O)C1CCCN(C1)C(=O)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K15 compound treatment 0.261 0.0144 0.54 0.26 0.0123 0.56 0.7758 0.9997 1346285 TimTec1_003403 O=C(Cc1cccs1)N2CCN(CC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K16 compound treatment 0.257 0.0104 0.39 0.254 0.00628 0.29 0.4764 0.9894 1313407 TimTec1_003404 CCOC(=O)C1CCCN(C1)C(=O)c2ccccc2OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K17 compound treatment 0.266 0.0194 0.72 0.264 0.0163 0.75 1.0369 0.9999 1513214 TimTec1_003405 CC(Oc1ccccc1)C(=O)Nc2cc(C)cc(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K18 compound treatment 0.267 0.0204 0.76 0.256 0.00828 0.38 0.8041 0.9486 1270183 TimTec1_003406 CC(Oc1ccccc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K19 compound treatment 0.258 0.0114 0.42 0.259 0.0113 0.52 0.6646 0.9952 3084799 TimTec1_003407 CCC(C)C(=O)Nc1nccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K20 compound treatment 0.258 0.0114 0.42 0.251 0.00328 0.15 0.4056 0.9026 1161699 TimTec1_003408 Cc1ccc(cc1)C2SCC(N2C(=O)c3cccc(Cl)c3)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K21 compound treatment 0.255 0.00839 0.31 0.256 0.00828 0.38 0.4885 0.9953 1190170 TimTec1_003409 CCN(Cc1ccccc1)C(=O)C(C)Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K22 compound treatment 0.285 0.0384 1.43 0.286 0.0383 1.75 2.2488 0.9948 3210685 TimTec1_003410 CC1(CC(=NC(=N1)SCC(=O)O)n2c3ccccc3c4ccccc24)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K23 mock treatment 0.258 0.0114 0.42 0.258 0.0103 0.47 0.6322 0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 K24 mock treatment 0.247 3.87E-4 0.01 0.247 -7.24E-4 -0.03 -0.0133 -0.3669 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L01 compound treatment 0.244 -0.00261 -0.1 0.242 -0.00572 -0.26 -0.254 -0.9088 3084803 TimTec1_003411 CC(C)Cc1ccc(/C=C/C(=O)N2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L02 compound treatment 0.269 0.0224 0.83 0.269 0.0213 0.97 1.2776 0.9969 3210686 TimTec1_003412 OC(=O)C1CC(=O)N(CCC2(CC3CC4CC(C3)C2)C4)/C(=N\c5ccc(Cl)cc5)/S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L03 compound treatment 0.253 0.00639 0.24 0.253 0.00528 0.24 0.3388 1.0 3084804 TimTec1_003413 COC(=O)c1ccn(COc2ccccc2Cl)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L04 compound treatment 0.247 3.87E-4 0.01 0.248 2.76E-4 0.01 0.0191 0.9979 1272311 TimTec1_003414 COc1ccc(NC(=O)C2(CCCCC2)N(Cc3ccccc3)C(=O)Cc4nc(N)n[nH]4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L05 compound treatment 0.254 0.00739 0.27 0.255 0.00728 0.33 0.4299 0.9954 1572389 TimTec1_003415 COC(=O)c1ccc(cc1)N2C(SC(C)C2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L06 compound treatment 0.268 0.0214 0.8 0.261 0.0133 0.61 0.9923 0.9912 3210687 TimTec1_003416 Fc1ccc(NC(=O)c2cccc(OC(=S)Nc3cccc(Br)c3)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L07 compound treatment 0.251 0.00439 0.16 0.251 0.00328 0.15 0.2214 0.9991 3084807 TimTec1_003417 CCOc1ccc(cc1)n2c(SCc3ccccc3)nnc2c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L08 compound treatment 0.266 0.0194 0.72 0.264 0.0163 0.75 1.0369 0.9999 3210688 TimTec1_003418 CC(C)(C)Cc1ccc(OCCCC(=O)O)c(CC(C)(C)C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L09 compound treatment 0.26 0.0134 0.5 0.262 0.0143 0.65 0.8143 0.991 3210689 TimTec1_003419 Nc1c(sc2nc(cc(c12)C(F)(F)F)c3cccs3)S(=O)(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L10 compound treatment 0.261 0.0144 0.54 0.258 0.0103 0.47 0.7111 0.9979 3084809 TimTec1_003420 CCN/C(=N\CC)/SC1CC(=O)N(CCc2ccccc2)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L11 compound treatment 0.304 0.0574 2.13 0.306 0.0583 2.67 3.3961 0.9939 3210690 TimTec1_003421 CCC(N/C(=N/c1ccccc1C(=O)OC)/O)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L12 compound treatment 0.334 0.0874 3.25 0.31 0.0623 2.85 4.3146 0.9979 3084811 TimTec1_003422 N#Cc1ccc(nc1SCCOc2ccccc2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L13 compound treatment 0.255 0.00839 0.31 0.255 0.00728 0.33 0.4562 0.9995 1139626 TimTec1_003423 CC(Oc1ccc(Cl)c(C)c1)c2nc(no2)c3nonc3N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L14 compound treatment 0.257 0.0104 0.39 0.257 0.00928 0.42 0.5735 0.9989 3084813 TimTec1_003424 CC(C)CSc1nc(NC(=O)C)n[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L15 compound treatment 0.256 0.00939 0.35 0.255 0.00728 0.33 0.4825 0.9997 3210691 TimTec1_003425 CC1=NC2=NN=C(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2C(=C1)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L16 compound treatment 0.303 0.0564 2.1 0.302 0.0543 2.49 3.2403 0.9964 3084815 TimTec1_003426 OC1(CCCCC1)C(=O)/C=C/c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L17 compound treatment 0.266 0.0194 0.72 0.268 0.0203 0.93 1.1664 0.9922 3210692 TimTec1_003427 CCOC(=O)c1ccc(NC(=S)NCCOC2(CC3CC4CC(C3)C2)C4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L18 compound treatment 0.269 0.0224 0.83 0.26 0.0123 0.56 0.9862 0.9817 1179986 TimTec1_003428 CCOC(=O)CSc1nc2ccccc2n1C(=O)Oc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L19 compound treatment 0.253 0.00639 0.24 0.256 0.00828 0.38 0.4359 0.9747 3084845 TimTec1_003429 Oc1cc(n[nH]1)c2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L20 compound treatment 0.263 0.0164 0.61 0.262 0.0143 0.65 0.8932 0.9994 3210693 TimTec1_003430 CCC(=O)NC(c1c(C)nn(c1O)c2ccccc2)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L21 compound treatment 0.25 0.00339 0.13 0.25 0.00228 0.1 0.1628 0.9956 1146641 TimTec1_003431 CC1(C)CC(CCNC(=O)c2ccccc2C(=O)O)(Cc3ccccc3)CCO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L22 compound treatment 0.257 0.0104 0.39 0.256 0.00828 0.38 0.5411 1.0 1486235 TimTec1_003432 CCCC1C(c2ccccc2)C3(C#N)C(=O)NC1(O)CC3(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L23 mock treatment 0.256 0.00939 0.35 0.255 0.00728 0.33 0.4825 0.9997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 L24 mock treatment 0.247 3.87E-4 0.01 0.242 -0.00572 -0.26 -0.1751 -0.6673 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M01 compound treatment 0.238 -0.00861 -0.32 0.232 -0.0157 -0.72 -0.7356 -0.9335 1722217 TimTec1_003433 CCCN(CCC)C(=O)c1cc(OC)cc(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M02 compound treatment 0.252 0.00539 0.2 0.255 0.00728 0.33 0.3773 0.9704 1254098 TimTec1_003434 O=C(CN1C(=O)c2ccccc2C1=O)N3CCN(Cc4ccccc4)CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M03 compound treatment 0.249 0.00239 0.09 0.243 -0.00472 -0.22 -0.0902 -0.3856 3084849 TimTec1_003435 CC1CC(C)CN(C1)C(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M04 compound treatment 0.258 0.0114 0.42 0.254 0.00628 0.29 0.5027 0.9821 1397116 TimTec1_003436 CCc1ccccc1NC(=O)C(C)Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M05 compound treatment 0.272 0.0254 0.94 0.266 0.0183 0.84 1.2594 0.9982 3084851 TimTec1_003437 CC(C)NC(=O)c1ccc(cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M06 compound treatment 0.257 0.0104 0.39 0.257 0.00928 0.42 0.5735 0.9989 3210694 TimTec1_003438 CCCC(C)NC(=O)Cc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M07 compound treatment 0.25 0.00339 0.13 0.25 0.00228 0.1 0.1628 0.9956 1130565 TimTec1_003439 COc1ccc(CC(=O)N2CCCCCC2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M08 compound treatment 0.261 0.0144 0.54 0.259 0.0113 0.52 0.7435 0.9998 3084854 TimTec1_003440 CC(C)CCNC(=O)Cc1cccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M09 compound treatment 0.252 0.00539 0.2 0.25 0.00228 0.1 0.2154 0.9536 1411902 TimTec1_003441 CC1CC(C)CN(C1)C(=O)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M10 compound treatment 0.252 0.00539 0.2 0.251 0.00328 0.15 0.2477 0.9898 1680018 TimTec1_003442 COc1cc(SC)ccc1C(=O)N(C)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M11 compound treatment 0.249 0.00239 0.09 0.251 0.00328 0.15 0.1688 0.9687 1446751 TimTec1_003443 CCOc1ccccc1C(=O)NC2CCCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M12 compound treatment 0.255 0.00839 0.31 0.257 0.00928 0.42 0.5209 0.9885 1204191 TimTec1_003444 CC1CC(C)CN(C1)C(=O)COc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M13 compound treatment 0.249 0.00239 0.09 0.25 0.00228 0.1 0.1365 0.9968 1194660 TimTec1_003445 NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Oc3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M14 compound treatment 0.256 0.00939 0.35 0.255 0.00728 0.33 0.4825 0.9997 3084858 TimTec1_003446 COCC(C)NC(=O)c1ccco1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M15 compound treatment 0.254 0.00739 0.27 0.253 0.00528 0.24 0.3651 0.9979 1365776 TimTec1_003447 CN(C)S(=O)(=O)N1CCN(CC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M16 compound treatment 0.256 0.00939 0.35 0.254 0.00628 0.29 0.4501 0.9953 1365264 TimTec1_003448 CCOc1ccccc1C(=O)NCc2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M17 compound treatment 0.256 0.00939 0.35 0.257 0.00928 0.42 0.5472 0.9953 3084861 TimTec1_003449 CCC(C)C(=O)Nc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M18 compound treatment 0.266 0.0194 0.72 0.256 0.00828 0.38 0.7778 0.9549 1138474 TimTec1_003450 CCC(CC)NC(=O)C(C)Oc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M19 compound treatment 0.256 0.00939 0.35 0.253 0.00528 0.24 0.4177 0.9838 1334117 TimTec1_003451 CN(C)S(=O)(=O)N1CCC(Cc2ccccc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M20 compound treatment 0.258 0.0114 0.42 0.257 0.00928 0.42 0.5998 1.0 1691322 TimTec1_003452 Cc1c(sc2nc[nH]c(=O)c12)C(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M21 compound treatment 0.249 0.00239 0.09 0.252 0.00428 0.2 0.2012 0.936 1214562 TimTec1_003453 CCOc1ccc(NS(=O)(=O)N(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M22 compound treatment 0.259 0.0124 0.46 0.259 0.0113 0.52 0.6909 0.9984 3084924 TimTec1_003454 OCc1occ(O)c(=O)c1C(Nc2ccccn2)c3ccccc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M23 mock treatment 0.254 0.00739 0.27 0.273 0.0253 1.16 1.0126 0.8513 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 M24 mock treatment 0.238 -0.00861 -0.32 0.235 -0.0127 -0.58 -0.6385 -0.9603 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N01 compound treatment 0.264 0.0174 0.65 0.26 0.0123 0.56 0.8547 0.9976 1273050 TimTec1_003455 Nc1ccccc1C(=O)c2ccccc2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N02 compound treatment 0.248 0.00139 0.05 0.254 0.00628 0.29 0.2397 0.8209 1558367 TimTec1_003456 O=c1[nH]c(=S)c2CCCc2n1Cc3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N03 compound treatment 0.252 0.00539 0.2 0.253 0.00528 0.24 0.3125 0.9957 3210695 TimTec1_003457 CCOC(=O)CC(=O)c1ccn(C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N04 compound treatment 0.248 0.00139 0.05 0.246 -0.00172 -0.08 -0.0193 -0.2051 1599603 TimTec1_003458 O=C1N(CCc2cn3cccnc3n2)C(=O)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N05 compound treatment 0.268 0.0214 0.8 0.267 0.0193 0.88 1.1866 0.9987 3084928 TimTec1_003459 Cc1cc(N/C=N/c2ccc(Br)c(C)c2)ccc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N06 compound treatment 0.249 0.00239 0.09 0.25 0.00228 0.1 0.1365 0.9968 3210696 TimTec1_003460 O=C1CCC(=O)N1[C@H]2CC(=O)[C@@H]3OCC2O3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N07 compound treatment 0.292 0.0454 1.69 0.287 0.0393 1.8 2.4653 0.9995 3084930 TimTec1_003461 C/C(=C\c1ccco1)/C=N/n2c(S)nnc2COc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N08 compound treatment 0.264 0.0174 0.65 0.264 0.0163 0.75 0.9842 0.9975 3210697 TimTec1_003462 CC(C)c1ccc2c(c1)c3CCCc4cncn2c34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N09 compound treatment 0.248 0.00139 0.05 0.248 2.76E-4 0.01 0.0454 0.855 3210698 TimTec1_003463 CCc1nnc(SCC(=O)Nc2cc(C)on2)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N10 compound treatment 0.275 0.0284 1.06 0.278 0.0303 1.39 1.7268 0.991 3084933 TimTec1_003464 Brc1ccc(cc1)C(=O)CSc2ncnn2CC(=O)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N11 compound treatment 0.248 0.00139 0.05 0.251 0.00328 0.15 0.1425 0.8987 3210816 TimTec1_003465 CCC(=O)NC(Nc1c(C)n(C)n(c2ccccc2)c1=O)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N12 compound treatment 0.254 0.00739 0.27 0.252 0.00428 0.2 0.3327 0.9862 1413545 TimTec1_003466 O=C(NC(Cc1ccccc1)C(=O)Nc2nc(cs2)c3ccccc3)Oc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N13 compound treatment 0.257 0.0104 0.39 0.252 0.00428 0.2 0.4116 0.9504 1677156 TimTec1_003467 Cc1ccccc1C(=O)c2ccc3n(C)c(=O)n(C)c3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N14 compound treatment 0.278 0.0314 1.17 0.281 0.0333 1.52 1.9029 0.9914 3210817 TimTec1_003468 COc1ccc(CN/C(=N\c2ccccc2)/SC3CC(=O)N(C)C3=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N15 compound treatment 0.245 -0.00161 -0.06 0.245 -0.00272 -0.12 -0.1306 -0.9437 3084935 TimTec1_003469 CC1(CCCCC12)N=C(c3ccccc3)C42C=CC(=O)C=C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N16 compound treatment 0.252 0.00539 0.2 0.25 0.00228 0.1 0.2154 0.9536 3084936 TimTec1_003470 CC(C)(C)n1nnc(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N17 compound treatment 0.258 0.0114 0.42 0.258 0.0103 0.47 0.6322 0.9986 3210818 TimTec1_003471 O=C(C1=NNC2C1C(=O)N(C2=O)c3ccccc3)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N18 compound treatment 0.261 0.0144 0.54 0.255 0.00728 0.33 0.614 0.974 1154895 TimTec1_003472 CCOc1ccc2nc(SCc3ccc4OCOc4c3)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N19 compound treatment 0.301 0.0544 2.02 0.309 0.0613 2.81 3.4143 0.9871 1179027 TimTec1_003473 CCOC(=O)C1C(=S)NC(=C(C#N)C21CCCCC2)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N20 compound treatment 0.253 0.00639 0.24 0.249 0.00128 0.06 0.2093 0.8555 1721930 TimTec1_003474 OC(c1nn(C2CC(=O)C3OCC2O3)c(=S)n1c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N21 compound treatment 0.257 0.0104 0.39 0.255 0.00728 0.33 0.5088 0.9973 1317806 TimTec1_003475 O=c1cc(sc(=O)[nH]1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N22 compound treatment 0.253 0.00639 0.24 0.249 0.00128 0.06 0.2093 0.8555 1416310 TimTec1_003476 CCOC(=O)CSc1nc2ccccc2n1C(=O)Nc3cccc(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N23 mock treatment 0.249 0.00239 0.09 0.255 0.00728 0.33 0.2983 0.8654 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 N24 mock treatment 0.225 -0.0216 -0.8 0.245 -0.00272 -0.12 -0.6566 -0.8072 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O01 compound treatment 0.239 -0.00761 -0.28 0.223 -0.0247 -1.13 -1.0007 -0.8576 1395834 TimTec1_003477 COc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O02 compound treatment 0.244 -0.00261 -0.1 0.242 -0.00572 -0.26 -0.254 -0.9088 1184377 TimTec1_003478 CCN(C(=O)C(C)Oc1ccccc1)c2ccccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O03 compound treatment 0.253 0.00639 0.24 0.254 0.00628 0.29 0.3712 0.9955 1539114 TimTec1_003479 O=C(NC(c1ccccc1)c2ccccc2)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O04 compound treatment 0.253 0.00639 0.24 0.24 -0.00772 -0.35 -0.0821 -0.1927 3210819 TimTec1_003480 CC1CCCCN1C(=O)Cc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O05 compound treatment 0.256 0.00939 0.35 0.254 0.00628 0.29 0.4501 0.9953 3084942 TimTec1_003481 CC(=O)N(Cc1ccccc1)c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O06 compound treatment 0.248 0.00139 0.05 0.247 -7.24E-4 -0.03 0.013 0.2126 3210820 TimTec1_003482 CN(Cc1ccccc1)C(=O)CCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O07 compound treatment 0.245 -0.00161 -0.06 0.244 -0.00372 -0.17 -0.163 -0.9017 1675811 TimTec1_003483 O=C(CC(c1ccccc1)c2ccccc2)NCCN3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O08 compound treatment 0.241 -0.00561 -0.21 0.244 -0.00372 -0.17 -0.2682 -0.995 1696603 TimTec1_003484 NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O09 compound treatment 0.254 0.00739 0.27 0.252 0.00428 0.2 0.3327 0.9862 1437606 TimTec1_003485 CN(Cc1ccccc1)C(=O)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O10 compound treatment 0.25 0.00339 0.13 0.257 0.00928 0.42 0.3894 0.879 1671134 TimTec1_003486 COc1cc(SC)ccc1C(=O)N2CCc3ccccc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O11 compound treatment 0.242 -0.00461 -0.17 0.248 2.76E-4 0.01 -0.1124 -0.6533 1515374 TimTec1_003487 COc1ccc(cc1)C(=O)Nc2ccc(C)cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O12 compound treatment 0.253 0.00639 0.24 0.254 0.00628 0.29 0.3712 0.9955 1496160 TimTec1_003488 COC(=O)C1CCN(CC1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O13 compound treatment 0.247 3.87E-4 0.01 0.251 0.00328 0.15 0.1162 0.7714 1544697 TimTec1_003489 CCCC(C)NC(=O)N1CCOCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O14 compound treatment 0.252 0.00539 0.2 0.254 0.00628 0.29 0.3449 0.9845 1536093 TimTec1_003490 COCC(C)NC(=O)c1cccc(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O15 compound treatment 0.253 0.00639 0.24 0.25 0.00228 0.1 0.2417 0.9316 1517922 TimTec1_003491 O=C(C(Sc1ccccc1)c2ccccc2)N(CC#N)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O16 compound treatment 0.251 0.00439 0.16 0.254 0.00628 0.29 0.3186 0.9641 3210821 TimTec1_003492 CCC(CC)NC(=O)Cc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O17 compound treatment 0.256 0.00939 0.35 0.252 0.00428 0.2 0.3853 0.9626 1289736 TimTec1_003493 CCC(C(=O)NCC1CCCO1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O18 compound treatment 0.254 0.00739 0.27 0.25 0.00228 0.1 0.268 0.9119 1234784 TimTec1_003494 COC(=O)C1CCN(CC1)C(=O)C(C)Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O19 compound treatment 0.249 0.00239 0.09 0.253 0.00528 0.24 0.2336 0.9076 1449934 TimTec1_003495 COc1cc(SC)ccc1C(=O)NC(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O20 compound treatment 0.255 0.00839 0.31 0.25 0.00228 0.1 0.2943 0.8947 3210822 TimTec1_003496 C/C(=N\c1ccc(cc1)C(=O)O)/c2cc3c(=O)n(C)c4ccccc4c3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O21 compound treatment 0.27 0.0234 0.87 0.283 0.0353 1.62 1.7572 0.9579 1156038 TimTec1_003497 CCOc1ccc(NC(=O)C(C)Oc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O22 compound treatment 0.24 -0.00661 -0.25 0.241 -0.00672 -0.31 -0.3916 -0.9938 3085019 TimTec1_003498 OCc1coc(O)c(CN2CCc3ccccc3C2)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O23 mock treatment 0.253 0.00639 0.24 0.247 -7.24E-4 -0.03 0.1445 0.6026 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 O24 mock treatment 0.239 -0.00761 -0.28 0.246 -0.00172 -0.08 -0.256 -0.871 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P01 compound treatment 0.239 -0.00761 -0.28 0.22 -0.0277 -1.27 -1.0978 -0.8441 3210823 TimTec1_003499 COC[C@@H]1N=C(C)OC1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P02 compound treatment 0.255 0.00839 0.31 0.254 0.00628 0.29 0.4238 0.9992 1133107 TimTec1_003500 CCN(CC)CCc1c(C)c2ccc(O)cc2oc1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P03 compound treatment 0.255 0.00839 0.31 0.25 0.00228 0.1 0.2943 0.8947 3085021 TimTec1_003501 Cc1ccc(NC(=O)c2ccn(n2)C(=O)Nc3cccc(Cl)c3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P04 compound treatment 0.239 -0.00761 -0.28 0.246 -0.00172 -0.08 -0.256 -0.871 3210824 TimTec1_003502 Cc1nnc(c2ccccc2)c(=O)n1/N=C/c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P05 compound treatment 0.256 0.00939 0.35 0.255 0.00728 0.33 0.4825 0.9997 3210825 TimTec1_003503 OC(c1nnc(SCc2ccc(Br)cc2)n1c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P06 compound treatment 0.267 0.0204 0.76 0.27 0.0223 1.02 1.2574 0.9893 3085024 TimTec1_003504 CC1CCC(C)C(C1)NC(=O)c2ccc(I)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P07 compound treatment 0.252 0.00539 0.2 0.245 -0.00272 -0.12 0.0535 0.2266 3210826 TimTec1_003505 CCN(C(=O)C)c1nnc(CSc2nc3ccccc3s2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P08 compound treatment 0.256 0.00939 0.35 0.257 0.00928 0.42 0.5472 0.9953 3085026 TimTec1_003506 Cc1nc2cc3ccccc3cc2c(=O)n1CCCNC4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P09 compound treatment 0.25 0.00339 0.13 0.238 -0.00972 -0.45 -0.2257 -0.4879 1712637 TimTec1_003507 COCc1cc(C)nc2sc3c4nc5ccccc5n4nnc3c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P10 compound treatment 0.243 -0.00361 -0.13 0.241 -0.00672 -0.31 -0.3127 -0.9309 1522827 TimTec1_003508 O=C(Cc1cccc2ccccc12)NN3C(=O)C4C5CC(C=C5)C4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P11 compound treatment 0.243 -0.00361 -0.13 0.248 2.76E-4 0.01 -0.0861 -0.6378 1560331 TimTec1_003509 CC1(C)OC(=O)N(CC2CCCO2)C1(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P12 compound treatment 0.259 0.0124 0.46 0.256 0.00828 0.38 0.5937 0.9953 1246647 TimTec1_003510 O=C(Nc1nc(cs1)c2ccccc2)Oc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P13 compound treatment 0.251 0.00439 0.16 0.251 0.00328 0.15 0.2214 0.9991 1591772 TimTec1_003511 Cc1nn2c3CC(C)(C)CC(=O)c3cnc2c1c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P14 compound treatment 0.231 -0.0156 -0.58 0.241 -0.00672 -0.31 -0.6283 -0.956 3210827 TimTec1_003512 CCOC(=O)C1(O)CC(=NN1C(=O)c2cccc(Cl)c2)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P15 compound treatment 0.247 3.87E-4 0.01 0.247 -7.24E-4 -0.03 -0.0133 -0.3669 1520262 TimTec1_003513 COC(=O)c1ccc(cc1)C2N(Cc3ccccc3)CCN2Cc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P16 compound treatment 0.256 0.00939 0.35 0.26 0.0123 0.56 0.6443 0.9738 3085100 TimTec1_003514 OC1=C/C(=N\c2ccc(F)c(c2)C(F)(F)F)/c3ccccc3C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P17 compound treatment 0.247 3.87E-4 0.01 0.243 -0.00472 -0.22 -0.1428 -0.6586 1236032 TimTec1_003515 Fc1nc(F)c(F)c(SC(=S)N2CCOCC2)c1F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P18 compound treatment 0.239 -0.00761 -0.28 0.227 -0.0207 -0.95 -0.8712 -0.8798 1437494 TimTec1_003516 CCC(C)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P19 compound treatment 0.242 -0.00461 -0.17 0.242 -0.00572 -0.26 -0.3067 -0.9789 1266457 TimTec1_003517 CC(=O)OC1CC(C)(C)N(OC(=O)c2ccc(cc2)n3cnnn3)C(C)(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P20 compound treatment 0.246 -6.13E-4 -0.02 0.248 2.76E-4 0.01 -0.0072 -0.2758 3085103 TimTec1_003518 NC(=N)SCc1nc(N)nc(n1)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P21 compound treatment 0.251 0.00439 0.16 0.249 0.00128 0.06 0.1567 0.9041 3210828 TimTec1_003519 C(Sc1nnc(c2ccccc2)n1c3ccccc3)C4CCOCO4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P22 compound treatment 0.235 -0.0116 -0.43 0.231 -0.0167 -0.77 -0.8469 -0.9633 1431856 TimTec1_003520 CCC(C)(OC1CCCCO1)C#CCN2CCN(C)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P23 mock treatment 0.244 -0.00261 -0.1 0.237 -0.0107 -0.49 -0.4159 -0.8309 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2072 P24 mock treatment 0.214 -0.0326 -1.21 0.197 -0.0507 -2.32 -2.5 -0.9541 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A01 compound treatment 0.185 -0.0377 -1.4 0.202 -0.0499 -2.28 -2.6074 -0.9727 3210829 TimTec1_003521 CCC(Sc1nncn1C)C(=O)Nc2ccc(OC(F)(F)F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A02 compound treatment 0.177 -0.0457 -1.7 0.24 -0.0119 -0.54 -1.5875 -0.8887 1243143 TimTec1_003522 Cc1nc2ccccc2n1c3ccc(cc3)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A03 compound treatment 0.312 0.0892 3.32 0.309 0.0571 2.62 4.1971 0.993 1268944 TimTec1_003523 CSc1nc2cc(Oc3ccc4ccccc4c3)c(Cl)cc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A04 compound treatment 0.286 0.0633 2.35 0.29 0.0381 1.75 2.8981 0.9892 3085107 TimTec1_003524 O=C(Nc1ccc2ccccc2c1)/C(=C/c3ccco3)/c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A05 compound treatment 0.22 -0.00275 -0.1 0.266 0.0141 0.65 0.3853 0.588 3210949 TimTec1_003525 O=C1OC2(CCCC2)OC(=O)C1=Cc3ccc(OCc4ccccc4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A06 compound treatment 0.196 -0.0267 -0.99 0.241 -0.0109 -0.5 -1.0554 -0.9487 3210950 TimTec1_003526 Clc1ccc(cc1)C(=O)/C=C/2\C(=O)Nc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A07 compound treatment 0.207 -0.0158 -0.59 0.239 -0.0129 -0.59 -0.8308 -1.0 1188087 TimTec1_003527 COc1cc2CCN3C(C(C)C(=O)C4=C3CSCC4=O)c2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A08 compound treatment 0.22 -0.00275 -0.1 0.246 -0.00587 -0.27 -0.2623 -0.9125 3210951 TimTec1_003528 S=C(N1CCCC1)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A09 compound treatment 0.209 -0.0138 -0.51 0.237 -0.0149 -0.68 -0.843 -0.9901 1606147 TimTec1_003529 Cc1oc(c(CN2CCOCC2)c1C(=O)O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A10 compound treatment 0.22 -0.00275 -0.1 0.238 -0.0139 -0.63 -0.5213 -0.8106 3085108 TimTec1_003530 Cc1ccc(C)c(c1)c2csc(N)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A11 compound treatment 0.221 -0.00175 -0.07 0.231 -0.0209 -0.96 -0.7216 -0.7535 1212994 TimTec1_003531 Cn1cnnc1SCC(=O)N2c3ccccc3Sc4ccc(Cl)cc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A12 compound treatment 0.237 0.0143 0.53 0.254 0.00213 0.1 0.4439 0.8236 1431522 TimTec1_003532 CCOC(=O)c1oc2ccc(OC)cc2c1CN3CCN(C)CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A13 compound treatment 0.218 -0.00475 -0.18 0.223 -0.0289 -1.32 -1.0595 -0.7946 1733965 TimTec1_003533 CCC1(C)Oc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A14 compound treatment 0.212 -0.0107 -0.4 0.237 -0.0149 -0.68 -0.7641 -0.9678 1590249 TimTec1_003534 CC1CCC2C(C)(CO)C(O)CCC2(C)C31CCC(C)(CO)O3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A15 compound treatment 0.208 -0.0147 -0.55 0.233 -0.0189 -0.86 -0.9988 -0.976 1408570 TimTec1_003535 OCCCN1C(=O)c2ccccc2C1(O)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A16 compound treatment 0.219 -0.00375 -0.14 0.239 -0.0129 -0.59 -0.5152 -0.851 1133958 TimTec1_003536 O=C(COC(=O)CSc1nnc([nH]1)c2ccccc2)NC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A17 compound treatment 0.216 -0.00675 -0.25 0.221 -0.0309 -1.41 -1.1769 -0.8199 3085112 TimTec1_003537 COC(=O)c1c(N)oc2c(c3cccc(c3)C(F)(F)F)c4c(C(=O)OC)c(N)oc4cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A18 compound treatment 0.223 2.5E-4 0.01 0.247 -0.00487 -0.22 -0.151 -0.677 1479296 TimTec1_003538 CCc1cccc2c(CCNC(=O)COc3ccc(F)cc3F)c(C)[nH]c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A19 compound treatment 0.25 0.0273 1.01 0.242 -0.00987 -0.45 0.3973 0.358 1638558 TimTec1_003539 COC(=O)c1cc(nc2ccccc12)N3CCNCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A20 compound treatment 0.202 -0.0208 -0.77 0.212 -0.0399 -1.83 -1.8365 -0.9267 3085182 TimTec1_003540 Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCOC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A21 compound treatment 0.207 -0.0158 -0.59 0.248 -0.00387 -0.18 -0.5394 -0.8814 1636785 TimTec1_003541 CC(C)C(=O)Nc1nc(OC(=O)N(c2ccccc2)c3ccccc3)c4nc[nH]c4n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A22 compound treatment 0.197 -0.0257 -0.96 0.232 -0.0199 -0.91 -1.3205 -0.9997 1508388 TimTec1_003542 O=C(OCc1ccc2nonc2c1)c3c4CCCCc4nc5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A23 mock treatment 0.195 -0.0278 -1.03 0.227 -0.0249 -1.14 -1.5349 -0.9988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 A24 mock treatment 0.18 -0.0428 -1.59 0.199 -0.0529 -2.42 -2.836 -0.9792 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B01 compound treatment 0.2 -0.0227 -0.85 0.217 -0.0349 -1.6 -1.7272 -0.9559 3085184 TimTec1_003543 CC12CCC(=O)N2c3ccccc3C(=O)N1c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B02 compound treatment 0.251 0.0283 1.05 0.263 0.0111 0.51 1.1035 0.9448 1731017 TimTec1_003544 CCCCc1c(C)nc2c(OC)cccc2c1SCCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B03 compound treatment 0.261 0.0382 1.42 0.266 0.0141 0.65 1.4636 0.9364 1552863 TimTec1_003545 Fc1ccc(Sc2c(F)c(F)nc(N3CCNCC3)c2F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B04 compound treatment 0.244 0.0213 0.79 0.244 -0.00787 -0.36 0.3042 0.3502 3210952 TimTec1_003546 COc1ccc2C(Nc3nc4ccc(OC(F)(F)F)cc4s3)OC(=O)c2c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B05 compound treatment 0.27 0.0473 1.76 0.282 0.0301 1.38 2.2183 0.9928 3085186 TimTec1_003547 Fc1ccc(cc1)N2C(=O)/C(=C/N3CCCCC3)/SC2=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B06 compound treatment 0.246 0.0233 0.86 0.257 0.00513 0.24 0.7777 0.8678 3210953 TimTec1_003548 COC(=O)c1ccc(CSc2nnc3n(N)cnn23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B07 compound treatment 0.259 0.0362 1.35 0.279 0.0271 1.24 1.8319 0.9992 3085188 TimTec1_003549 Cc1cc(nc(SCc2ccccc2)c1C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B08 compound treatment 0.262 0.0393 1.46 0.266 0.0141 0.65 1.4899 0.933 1390724 TimTec1_003550 COC(c1cccs1)c2c(C)[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B09 compound treatment 0.242 0.0193 0.72 0.264 0.0121 0.56 0.8991 0.9921 3210954 TimTec1_003551 Oc1ccccc1c2nc(O)c3c4CCCCc4sc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B10 compound treatment 0.257 0.0343 1.27 0.268 0.0161 0.74 1.4231 0.9664 3085190 TimTec1_003552 Cc1ccc(/C=C\2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B11 compound treatment 0.236 0.0133 0.49 0.262 0.0101 0.46 0.6766 0.9995 3210955 TimTec1_003553 Cc1sc2nc(nc(O)c2c1C)c3ccccc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B12 compound treatment 0.242 0.0193 0.72 0.259 0.00713 0.33 0.7372 0.9368 1921968 TimTec1_003554 Cc1c(Cl)cccc1NC(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B13 compound treatment 0.254 0.0313 1.16 0.261 0.00913 0.42 1.1176 0.9047 1218019 TimTec1_003555 CC(NC(=O)C1CCCN1S(=O)(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B14 compound treatment 0.244 0.0213 0.79 0.258 0.00613 0.28 0.7575 0.903 3085194 TimTec1_003556 CCOc1cc(/C=C\2/S\C(=N/C)\N(C)C2=O)ccc1OCC(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B15 compound treatment 0.228 0.00525 0.2 0.242 -0.00987 -0.45 -0.1814 -0.3685 1154943 TimTec1_003557 CC1C(=O)OC(c2ccc(Br)cc2)C(C)(C)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B16 compound treatment 0.249 0.0262 0.98 0.258 0.00613 0.28 0.889 0.875 3085196 TimTec1_003558 Cc1ccc(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B17 compound treatment 0.244 0.0213 0.79 0.268 0.0161 0.74 1.0812 0.9994 1526862 TimTec1_003559 Cc1cc(Cl)ccc1OCC(=O)Nc2sc3CCCc3c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B18 compound treatment 0.251 0.0283 1.05 0.26 0.00813 0.37 1.0063 0.9027 1571119 TimTec1_003560 OC(=O)CCC(=O)Nc1ccccn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B19 compound treatment 0.239 0.0163 0.6 0.254 0.00213 0.1 0.4965 0.8109 1209861 TimTec1_003561 Cc1ccc(cc1)N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B20 compound treatment 0.246 0.0233 0.86 0.262 0.0101 0.46 0.9396 0.9574 1692625 TimTec1_003562 Cc1ccc(cc1)C(=O)Nc2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B21 compound treatment 0.258 0.0352 1.31 0.269 0.0171 0.78 1.4818 0.9698 3085199 TimTec1_003563 CC(C)Cc1ccc(cc1)c2cc(O)[nH]n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B22 compound treatment 0.263 0.0403 1.5 0.265 0.0131 0.6 1.4838 0.9197 1410378 TimTec1_003564 OC(=O)c1ccc(O)c(SCN2CCCCC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B23 mock treatment 0.211 -0.0118 -0.44 0.258 0.00613 0.28 -0.1105 -0.2126 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 B24 mock treatment 0.204 -0.0187 -0.7 0.24 -0.0119 -0.54 -0.8773 -0.9924 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C01 compound treatment 0.24 0.0173 0.64 0.261 0.00913 0.42 0.7494 0.9785 3085266 TimTec1_003565 FC(F)(F)Oc1ccc(NC(=O)COC(=O)/C=C\c2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C02 compound treatment 0.254 0.0313 1.16 0.273 0.0211 0.97 1.5061 0.9958 3085268 TimTec1_003566 C[C@H]1[C@@H]2CC(C)(C)CC[C@]2(CO)CCC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C03 compound treatment 0.236 0.0133 0.49 0.237 -0.0149 -0.68 -0.1328 -0.1581 1199129 TimTec1_003567 CN1CCN(CC1)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C04 compound treatment 0.231 0.00825 0.31 0.252 1.33E-4 0.01 0.2213 0.721 3085270 TimTec1_003568 CC1=CC(c2ccc(F)cc2)C(CC1)(C(=O)O)C(=O)n3nc(C)cc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C05 compound treatment 0.233 0.0103 0.38 0.241 -0.0109 -0.5 -0.0822 -0.1312 3210956 TimTec1_003569 CC(=O)NC(N1CCCC1=O)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C06 compound treatment 0.231 0.00825 0.31 0.249 -0.00287 -0.13 0.1242 0.372 1250474 TimTec1_003570 OC(=O)Cc1csc2nc(cn12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C07 compound treatment 0.237 0.0143 0.53 0.244 -0.00787 -0.36 0.1201 0.1874 1127712 TimTec1_003571 Nn1c(CSc2nc3ccccc3o2)nnc1CSc4nc5ccccc5o4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C08 compound treatment 0.236 0.0133 0.49 0.256 0.00413 0.19 0.4823 0.9136 3085273 TimTec1_003572 O/N=C/c1ccc(cc1)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C09 compound treatment 0.237 0.0143 0.53 0.245 -0.00687 -0.31 0.1525 0.2474 3210957 TimTec1_003573 CC(C)C1C(=NN(C1=S)c2ccccc2)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C10 compound treatment 0.212 -0.0107 -0.4 0.226 -0.0259 -1.18 -1.1202 -0.8961 1006805 TimTec1_003574 NC(C(O)c1ccccc1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C11 compound treatment 0.231 0.00825 0.31 0.243 -0.00887 -0.41 -0.0701 -0.1377 1375728 TimTec1_003575 COCc1cc(C)nc2sc(C(O)c3ccccc3)c(NC(=O)c4ccco4)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C12 compound treatment 0.232 0.00925 0.34 0.249 -0.00287 -0.13 0.1505 0.4086 1319536 TimTec1_003576 C=CCn1c(nn(CCC#N)c1=S)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C13 compound treatment 0.228 0.00525 0.2 0.244 -0.00787 -0.36 -0.1166 -0.2846 1138165 TimTec1_003577 O=C(NC1CC1)c2n[nH]c(=O)c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C14 compound treatment 0.22 -0.00275 -0.1 0.251 -8.67E-4 -0.04 -0.1004 -0.915 1631186 TimTec1_003578 CSc1ncnc2n(CN3CCOCC3)cnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C15 compound treatment 0.231 0.00825 0.31 0.242 -0.00987 -0.45 -0.1025 -0.1876 3085277 TimTec1_003579 CCN(CC)c1nc(OC)nc(C#N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C16 compound treatment 0.288 0.0653 2.43 0.294 0.0421 1.93 3.0803 0.9935 1237261 TimTec1_003580 C(Nc1nc(NC2CCCCC2)nc(n1)N3CCOCC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C17 compound treatment 0.233 0.0103 0.38 0.244 -0.00787 -0.36 0.0149 0.0284 1373918 TimTec1_003581 COc1ccc(cc1)C(=O)Nc2ccccc2C3(C)CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C18 compound treatment 0.249 0.0262 0.98 0.262 0.0101 0.46 1.0185 0.9422 1306307 TimTec1_003582 Cn1c(=S)n(CCSc2nc3ccccc3n2c4ccccc4)c5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C19 compound treatment 0.228 0.00525 0.2 0.25 -0.00187 -0.09 0.0776 0.3643 3085281 TimTec1_003583 Cc1ccccc1n2c(n[nH]c2=S)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C20 compound treatment 0.255 0.0323 1.2 0.263 0.0111 0.51 1.2087 0.9273 1451733 TimTec1_003584 CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N3CCOCC3)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C21 compound treatment 0.238 0.0153 0.57 0.254 0.00213 0.1 0.4702 0.8169 1387125 TimTec1_003585 COC(C)(OCCn1c2ccccc2c3ccccc13)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C22 compound treatment 0.229 0.00625 0.23 0.236 -0.0159 -0.73 -0.3493 -0.458 1631435 TimTec1_003586 CCOC(=O)c1ccc(CNC(=O)c2ccc(cc2)S(=O)(=O)c3ccccc3)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C23 mock treatment 0.227 0.00425 0.16 0.241 -0.0109 -0.5 -0.24 -0.4598 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 C24 mock treatment 0.195 -0.0278 -1.03 0.233 -0.0189 -0.86 -1.3407 -0.9961 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D01 compound treatment 0.238 0.0153 0.57 0.244 -0.00787 -0.36 0.1464 0.2179 3211082 TimTec1_003587 COc1nc(Nc2ccccc2)nc(OCC(F)(F)F)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D02 compound treatment 0.233 0.0103 0.38 0.252 1.33E-4 0.01 0.2739 0.7183 3085284 TimTec1_003588 Cn1c(=O)[nH]c(=O)c2n(CCC/N=C\3/CCCCN3)cnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D03 compound treatment 0.245 0.0222 0.83 0.259 0.00713 0.33 0.8161 0.9173 1240788 TimTec1_003589 CCOc1cc(ccc1OC)C2N(CC3N2CCc4ccccc34)S(=O)(=O)c5ccc(C)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D04 compound treatment 0.243 0.0203 0.75 0.256 0.00413 0.19 0.6664 0.8581 2108247 TimTec1_003590 CCOC(=O)[C@@H]1[C@@H]2NC(=O)N[C@@]1(C)Oc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D05 compound treatment 0.278 0.0553 2.06 0.299 0.0471 2.16 2.9791 0.9997 1269248 TimTec1_003591 CCN(CC)C(=S)Oc1ccc(cc1)C(=O)Nc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D06 compound treatment 0.239 0.0163 0.6 0.255 0.00313 0.14 0.5288 0.8513 3085357 TimTec1_003592 Cc1cc([nH]c(=O)c1C#N)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D07 compound treatment 0.252 0.0293 1.09 0.252 1.33E-4 0.01 0.7736 0.7111 1389688 TimTec1_003593 COc1cccc(c1)c2nnc(SCc3ccc(C#N)cc3Cl)n2CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D08 compound treatment 0.264 0.0413 1.53 0.277 0.0251 1.15 1.8986 0.99 3085358 TimTec1_003594 CCOC(=O)C1=CN(C=C(C1c2ccccc2F)C(=O)OCC)c3ccc(C)c(C)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D09 compound treatment 0.245 0.0222 0.83 0.266 0.0141 0.65 1.0428 0.9926 1652064 TimTec1_003595 Fc1ccccc1CSc2nnc3c4ccccc4n(CC=C)c3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D10 compound treatment 0.232 0.00925 0.34 0.252 1.33E-4 0.01 0.2476 0.7195 3211083 TimTec1_003596 COc1ccc(/C=C/2\S/C(=N/c3ccc(cc3)N4CCOCC4)/N(C)C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D11 compound treatment 0.316 0.0933 3.47 0.324 0.0721 3.3 4.788 0.9997 1144490 TimTec1_003597 COc1ccc(cc1)c2cc(nc(SCC(=O)N3CCCCC3)c2C#N)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D12 compound treatment 0.255 0.0323 1.2 0.26 0.00813 0.37 1.1115 0.885 1614237 TimTec1_003598 CCc1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D13 compound treatment 0.254 0.0313 1.16 0.258 0.00613 0.28 1.0205 0.8534 1504270 TimTec1_003599 Clc1ccccc1COc2ccc(cc2)N3CC(CC3=O)C(=O)N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D14 compound treatment 0.246 0.0233 0.86 0.264 0.0121 0.56 1.0043 0.9771 3085361 TimTec1_003600 Cc1cc(ccc1/C=N/n2cnnc2)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D15 compound treatment 0.273 0.0503 1.87 0.276 0.0241 1.1 2.103 0.9685 1542891 TimTec1_003601 CN(c1ccc(Cl)cc1)S(=O)(=O)c2cccc(c2)C(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D16 compound treatment 0.241 0.0182 0.68 0.262 0.0101 0.46 0.8081 0.9828 3085364 TimTec1_003602 Cc1ccc(/C=N\n2nnnc2N)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D17 compound treatment 0.248 0.0253 0.94 0.266 0.0141 0.65 1.1217 0.9835 1515864 TimTec1_003603 COC(=O)N1CCC(=O)Nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D18 compound treatment 0.248 0.0253 0.94 0.258 0.00613 0.28 0.8627 0.88 3211084 TimTec1_003604 COc1ccccc1N/C(=N\O)/C(=N/O)/Nc2ccccc2OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D19 compound treatment 0.264 0.0413 1.53 0.27 0.0181 0.83 1.672 0.9584 1479338 TimTec1_003605 CC1=CCC(C(C1)C(=O)Nc2ccc(cc2)c3nc4ccc(C)cc4s3)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D20 compound treatment 0.249 0.0262 0.98 0.249 -0.00287 -0.13 0.5976 0.6066 1527622 TimTec1_003606 CN(C)Cc1c(O)ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D21 compound treatment 0.267 0.0442 1.65 0.282 0.0301 1.38 2.1394 0.9962 3211085 TimTec1_003607 Fc1ccc(cc1)C(=O)/C=C\2/NCC3N(CCc4ccccc34)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D22 compound treatment 0.24 0.0173 0.64 0.251 -8.67E-4 -0.04 0.4256 0.6621 1154370 TimTec1_003608 Cc1ccccc1NC(=O)C2CC(O)CN2C(=O)OCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D23 mock treatment 0.228 0.00525 0.2 0.257 0.00513 0.24 0.3043 0.9958 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 D24 mock treatment 0.227 0.00425 0.16 0.252 1.33E-4 0.01 0.1161 0.7339 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E01 compound treatment 0.235 0.0123 0.46 0.243 -0.00887 -0.41 0.0351 0.0575 1604889 TimTec1_003609 Cc1ccc(cc1C(=O)N2CCCCCC2)S(=O)(=O)NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E02 compound treatment 0.286 0.0633 2.35 0.298 0.0461 2.11 3.1572 0.9986 1585521 TimTec1_003610 CCn1cc(C(=O)O)c(=O)c2cc(F)c(NN3C(SCC3=O)c4ccccc4Cl)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E03 compound treatment 0.245 0.0222 0.83 0.248 -0.00387 -0.18 0.46 0.5435 3085369 TimTec1_003611 CC(N1C(=CC(C)(C)NC1=S)C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E04 compound treatment 0.334 0.111 4.14 0.331 0.0791 3.62 5.488 0.9978 2114263 TimTec1_003612 COc1cc2CCN(C)c3cc4cc(OC)c(OC)cc4c(c1OC)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E05 compound treatment 0.244 0.0213 0.79 0.251 -8.67E-4 -0.04 0.5308 0.6708 3085371 TimTec1_003613 CC1CCc2ccccc2N1C(=N)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E06 compound treatment 0.236 0.0133 0.49 0.26 0.00813 0.37 0.6118 0.9905 3211086 TimTec1_003614 Cc1c(/C=N/c2ccc(cc2)N3CCOCC3)c4ccccc4n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E07 compound treatment 0.232 0.00925 0.34 0.255 0.00313 0.14 0.3447 0.9248 3211087 TimTec1_003615 COc1ccc(cc1OC)C2=Nn3cnnc3SC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E08 compound treatment 0.251 0.0283 1.05 0.27 0.0181 0.83 1.3301 0.9932 3085373 TimTec1_003616 NS(=O)(=O)c1ccc(cc1)n2cccc2/C=N/n3cnnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E09 compound treatment 0.269 0.0462 1.72 0.269 0.0171 0.78 1.7711 0.9368 3211088 TimTec1_003617 Cc1nn2C(=O)NC(Nc2c1c3ccccc3)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E10 compound treatment 0.245 0.0222 0.83 0.261 0.00913 0.42 0.8809 0.95 1518082 TimTec1_003618 CN(Cn1c(=O)oc2ccccc12)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E11 compound treatment 0.246 0.0233 0.86 0.254 0.00213 0.1 0.6806 0.782 1594658 TimTec1_003619 COc1ccc(CCn2c3CCCc3c(=S)[nH]c2=O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E12 compound treatment 0.276 0.0532 1.98 0.283 0.0311 1.43 2.4085 0.987 3211089 TimTec1_003620 CCOC(=O)c1c(C)sc2c(C)c(C)[nH]c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E13 compound treatment 0.246 0.0233 0.86 0.253 0.00113 0.05 0.6482 0.7482 3084338 TimTec1_003621 COCc1cc(C)nc2sc3c(O)nc(nc3c12)c4ccccc4O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E14 compound treatment 0.246 0.0233 0.86 0.256 0.00413 0.19 0.7453 0.8419 1260196 TimTec1_003622 OC(COc1ccccc1)CSc2nc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E15 compound treatment 0.244 0.0213 0.79 0.244 -0.00787 -0.36 0.3042 0.3502 1328330 TimTec1_003623 CCOC(=O)CC(Nc1nc(nc(n1)N2CCOCC2)N3CCOCC3)c4ccc(C)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E16 compound treatment 0.239 0.0163 0.6 0.26 0.00813 0.37 0.6907 0.9729 3084342 TimTec1_003624 CC(=O)OCN1CCN(COC(=O)C)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E17 compound treatment 0.251 0.0283 1.05 0.265 0.0131 0.6 1.1682 0.9649 1565142 TimTec1_003625 CN(C)S(=O)(=O)c1cc(C(=O)NCC2CCCO2)c(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E18 compound treatment 0.246 0.0233 0.86 0.266 0.0141 0.65 1.0691 0.9898 1165026 TimTec1_003626 OC(=O)Cc1c([nH]c2ccccc12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E19 compound treatment 0.246 0.0233 0.86 0.259 0.00713 0.33 0.8424 0.9113 3211090 TimTec1_003627 CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)OC3CSCC3NC(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E20 compound treatment 0.238 0.0153 0.57 0.265 0.0131 0.6 0.8263 0.9996 1227495 TimTec1_003628 Fc1ccc(Oc2cc(C#N)c(C#N)cc2n3nnc4ccccc34)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E21 compound treatment 0.257 0.0343 1.27 0.266 0.0141 0.65 1.3584 0.9507 1507098 TimTec1_003629 COc1ccccc1NC(=O)NC(C)(C)c2cccc(c2)C(=C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E22 compound treatment 0.291 0.0683 2.54 0.282 0.0301 1.38 2.7706 0.9589 3084346 TimTec1_003630 CC1(C)Cc2ccccc2C(=N1)CSc3nc(cc(n3)C(F)(F)F)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E23 mock treatment 0.239 0.0163 0.6 0.256 0.00413 0.19 0.5612 0.8861 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 E24 mock treatment 0.221 -0.00175 -0.07 0.254 0.00213 0.1 0.023 0.1963 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F01 compound treatment 0.228 0.00525 0.2 0.254 0.00213 0.1 0.2071 0.9487 1683155 TimTec1_003631 Cc1cc(C(=O)N2CCCC2C(=O)O)c(C)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F02 compound treatment 0.282 0.0592 2.2 0.283 0.0311 1.43 2.5663 0.9778 1413129 TimTec1_003632 Brc1ccccc1OCc2ccc(cc2)C(=O)Nc3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F03 compound treatment 0.249 0.0262 0.98 0.261 0.00913 0.42 0.9861 0.9284 3084349 TimTec1_003633 CC1CC(n2ncnc2N1C(=O)CSc3nc4ccccc4o3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F04 compound treatment 0.237 0.0143 0.53 0.265 0.0131 0.6 0.8 0.998 1033523 TimTec1_003634 Nc1ncnc2n(CCO)cnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F05 compound treatment 0.266 0.0432 1.61 0.272 0.0201 0.92 1.7894 0.9651 3209122 TimTec1_003635 O/N=C/1\CCCCc2c1[nH]c3ccc(cc23)C4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F06 compound treatment 0.249 0.0262 0.98 0.257 0.00513 0.24 0.8566 0.853 1204260 TimTec1_003636 CC1(CC2(C)CC3(CN)C1)CC(CCN)(C2)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F07 compound treatment 0.259 0.0362 1.35 0.264 0.0121 0.56 1.3462 0.9232 3209123 TimTec1_003637 COc1ccc(cc1)c2cs/c(=N\c3cc(ccc3C)C(=O)O)/o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F08 compound treatment 0.245 0.0222 0.83 0.246 -0.00587 -0.27 0.3953 0.4543 3084352 TimTec1_003638 Clc1ccc(SCCC(=O)NCc2ccncc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F09 compound treatment 0.241 0.0182 0.68 0.264 0.0121 0.56 0.8728 0.9951 1270422 TimTec1_003639 CN(C)CCC(C)(O)Cc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F10 compound treatment 0.251 0.0283 1.05 0.264 0.0121 0.56 1.1358 0.9556 3084354 TimTec1_003640 CCOC(=O)CN1C(=O)S/C(=C\c2ccc(o2)c3ccc(Cl)cc3Cl)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F11 compound treatment 0.247 0.0243 0.9 0.253 0.00113 0.05 0.6745 0.7466 1341261 TimTec1_003641 COc1ccc(cc1)N2CCN(CC2)C(=O)c3ccc(C#CC4(O)CCCCC4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F12 compound treatment 0.249 0.0262 0.98 0.26 0.00813 0.37 0.9537 0.9127 1151583 TimTec1_003642 O=C(N1CCN(CC1)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F13 compound treatment 0.257 0.0343 1.27 0.257 0.00513 0.24 1.067 0.8237 3084357 TimTec1_003643 CC1(CC(=O)Nc2ccccc2)NN=C(S1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F14 compound treatment 0.291 0.0683 2.54 0.297 0.0451 2.07 3.2563 0.9948 3209124 TimTec1_003644 Brc1cc(/C=C(/C#N)\c2ccccc2)oc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F15 compound treatment 0.253 0.0302 1.13 0.273 0.0211 0.97 1.4798 0.9972 3084359 TimTec1_003645 Oc1cc(nc(SCCOc2ccccc2F)n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F16 compound treatment 0.251 0.0283 1.05 0.264 0.0121 0.56 1.1358 0.9556 1917462 TimTec1_003646 Nc1cc(N)nc(SCc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F17 compound treatment 0.368 0.145 5.4 0.34 0.0881 4.04 6.6736 0.9897 3084427 TimTec1_003647 C/C(=C/1\C(CC(=CC1=O)c2ccc(C)o2)c3ccccc3)/O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F18 compound treatment 0.299 0.0762 2.84 0.299 0.0471 2.16 3.5314 0.9909 1100509 TimTec1_003648 CCOC(=O)CSc1sc(C(=O)OCC)c(N)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F19 compound treatment 0.268 0.0452 1.68 0.269 0.0171 0.78 1.7448 0.9396 1681303 TimTec1_003649 CCC(=O)Oc1cc2c(C)cc(=O)oc2cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F20 compound treatment 0.24 0.0173 0.64 0.265 0.0131 0.6 0.8789 0.9995 1277376 TimTec1_003650 Brc1ccccc1OCC(=O)Nc2ccc(cc2)C(=O)OC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F21 compound treatment 0.29 0.0673 2.5 0.289 0.0371 1.7 2.971 0.9823 1591398 TimTec1_003651 O=c1[nH]c2ccccc2c(=O)n1CCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F22 compound treatment 0.244 0.0213 0.79 0.257 0.00513 0.24 0.7251 0.8793 3209125 TimTec1_003652 COC(=O)Cn1nnc(c2nnn(COC(=O)C)c2c3ccccc3)c1c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F23 mock treatment 0.236 0.0133 0.49 0.259 0.00713 0.33 0.5794 0.98 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 F24 mock treatment 0.232 0.00925 0.34 0.257 0.00513 0.24 0.4095 0.9827 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G01 compound treatment 0.227 0.00425 0.16 0.246 -0.00587 -0.27 -0.0782 -0.2508 1145213 TimTec1_003653 O=C(N1CC(=O)N(OCc2ccccc2)C1c3cccs3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G02 compound treatment 0.305 0.0823 3.06 0.322 0.0701 3.21 4.4339 0.9997 3209126 TimTec1_003654 CCN(CC)c1ccc(O)c(/C=N/N2C(=O)/C(=C/c3ccco3)/N=C2c4ccccc4)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G03 compound treatment 0.237 0.0143 0.53 0.247 -0.00487 -0.22 0.2172 0.3778 1490785 TimTec1_003655 CC1(C)CC(CC(C)(C)N1O)NC(=O)c2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G04 compound treatment 0.247 0.0243 0.9 0.248 -0.00387 -0.18 0.5126 0.5577 3209127 TimTec1_003656 CN(C)Cc1c(N)cc2ccccc2c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G05 compound treatment 0.239 0.0163 0.6 0.249 -0.00287 -0.13 0.3346 0.5409 3084709 TimTec1_003657 FC(F)(F)C1(NC(=O)N2C(=CSC2=N1)C3CC3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G06 compound treatment 0.333 0.11 4.1 0.33 0.0781 3.58 5.4293 0.9977 3209128 TimTec1_003658 O=C1NC(=O)/C(=C\Nc2sc3CCCCc3c2C#N)/C(=O)N1Cc4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G07 compound treatment 0.235 0.0123 0.46 0.256 0.00413 0.19 0.456 0.9243 3084710 TimTec1_003659 CSC1=NC(C)(C)CC21C=CC(=O)C(=C2)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G08 compound treatment 0.338 0.115 4.29 0.326 0.0741 3.39 5.4313 0.9933 3209129 TimTec1_003660 CN(C)c1ccc(/N=C\2/C(=C(C#N)C(=O)N(CCO)C2=O)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G09 compound treatment 0.241 0.0182 0.68 0.254 0.00213 0.1 0.5491 0.8006 1338522 TimTec1_003661 N#CCCn1c(nc2ccccc12)c3cncs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G10 compound treatment 0.244 0.0213 0.79 0.25 -0.00187 -0.09 0.4985 0.627 1169940 TimTec1_003662 O=S(=O)(Nc1ccncc1)c2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G11 compound treatment 0.236 0.0133 0.49 0.252 1.33E-4 0.01 0.3528 0.7158 1221383 TimTec1_003663 O=C1CC(C2COC1O2)n3c(=O)oc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G12 compound treatment 0.236 0.0133 0.49 0.265 0.0131 0.6 0.7737 0.9951 1480783 TimTec1_003664 COc1ccccc1OCC(=O)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G13 compound treatment 0.242 0.0193 0.72 0.251 -8.67E-4 -0.04 0.4782 0.6669 1147932 TimTec1_003665 Cc1ccc(cc1)c2cc3cc(C)c(C#N)c(N4CCCCCC4)n3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G14 compound treatment 0.227 0.00425 0.16 0.254 0.00213 0.1 0.1808 0.9732 2105438 TimTec1_003666 CC1CC(=O)N(N(C)C)C(C#N)(C#N)C1(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G15 compound treatment 0.25 0.0273 1.01 0.262 0.0101 0.46 1.0448 0.9373 3084711 TimTec1_003667 CC(NC1=C(C(=O)/C=C/c2ccccc2)C(=O)CC(C)(C)C1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G16 compound treatment 0.246 0.0233 0.86 0.259 0.00713 0.33 0.8424 0.9113 1284183 TimTec1_003668 CCOC(=O)N1CCN(CC1)C(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G17 compound treatment 0.246 0.0233 0.86 0.258 0.00613 0.28 0.8101 0.8909 3209130 TimTec1_003669 Nc1nc(CSc2nnc(c3cccnc3)n2CC=C)nc(n1)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G18 compound treatment 0.277 0.0543 2.02 0.274 0.0221 1.01 2.1434 0.9492 1317072 TimTec1_003670 Cn1c(=S)n(CCSc2nc3ccccc3[nH]2)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G19 compound treatment 0.298 0.0752 2.8 0.282 0.0301 1.38 2.9547 0.9469 3209131 TimTec1_003671 O=C1Nc2ccccc2Oc3cc(Sc4ccccc4)ccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G20 compound treatment 0.232 0.00925 0.34 0.259 0.00713 0.33 0.4742 0.9997 3084712 TimTec1_003672 CCn1c(C)nnc1SCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G21 compound treatment 0.236 0.0133 0.49 0.254 0.00213 0.1 0.4176 0.8311 1214067 TimTec1_003673 COc1ccc(cc1)C2CC(O)CC(c3ccc(OC)cc3)C24C(=O)NC(=O)NC4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G22 compound treatment 0.24 0.0173 0.64 0.251 -8.67E-4 -0.04 0.4256 0.6621 3084713 TimTec1_003674 CC1(C)Cc2ccccc2C(=N1)CSc3nc(c4CCCCc4n3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G23 mock treatment 0.244 0.0213 0.79 0.255 0.00313 0.14 0.6603 0.822 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 G24 mock treatment 0.224 0.00125 0.05 0.233 -0.0189 -0.86 -0.578 -0.6681 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H01 compound treatment 0.226 0.00325 0.12 0.257 0.00513 0.24 0.2517 0.9522 1713697 TimTec1_003675 Cc1oc(cc1C(=O)N2CCCC2C(=O)O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H02 compound treatment 0.237 0.0143 0.53 0.258 0.00613 0.28 0.5734 0.9559 3209132 TimTec1_003676 COc1ccc(cc1OC)c2cc(nc(SC3CC(O)C4OCC3O4)n2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H03 compound treatment 0.28 0.0573 2.13 0.294 0.0421 1.93 2.8698 0.9988 3084714 TimTec1_003677 CCN1C(=O)/C(=C\c2ccc(cc2Cl)N(C)C)/OC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H04 compound treatment 0.239 0.0163 0.6 0.255 0.00313 0.14 0.5288 0.8513 1418481 TimTec1_003678 CC(C)C1NC(=O)N(C1=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H05 compound treatment 0.251 0.0283 1.05 0.26 0.00813 0.37 1.0063 0.9027 3209133 TimTec1_003679 COC(=O)c1ccn(n1)C(=O)c2ccnn2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H06 compound treatment 0.241 0.0182 0.68 0.258 0.00613 0.28 0.6786 0.9237 1349643 TimTec1_003680 CCCNS(=O)(=O)c1nc2nc(C)cc(C)n2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H07 compound treatment 0.243 0.0203 0.75 0.258 0.00613 0.28 0.7312 0.9096 3209134 TimTec1_003681 Cc1cc(=O)oc2c3/C(=C/c4ccccc4)/C(=O)Oc3ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H08 compound treatment 0.261 0.0382 1.42 0.262 0.0101 0.46 1.3341 0.8915 3209135 TimTec1_003682 CSc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H09 compound treatment 0.373 0.15 5.59 0.375 0.123 5.64 7.9383 1.0 1565759 TimTec1_003683 COc1ccccc1CNc2ccc3n(cnc3c2)c4ccccc4OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H10 compound treatment 0.267 0.0442 1.65 0.269 0.0171 0.78 1.7185 0.9425 3209136 TimTec1_003684 O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3C#N)c4ccccc24)/N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H11 compound treatment 0.247 0.0243 0.9 0.258 0.00613 0.28 0.8364 0.8853 1298968 TimTec1_003685 CCOc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H12 compound treatment 0.238 0.0153 0.57 0.256 0.00413 0.19 0.5349 0.8946 1242991 TimTec1_003686 O=C(N1CCCC1)c2ccccc2NS(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H13 compound treatment 0.246 0.0233 0.86 0.261 0.00913 0.42 0.9072 0.9444 1005358 TimTec1_003687 O=C(CC(C#N)c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H14 compound treatment 0.252 0.0293 1.09 0.256 0.00413 0.19 0.9031 0.8178 3209137 TimTec1_003688 COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc3CCCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H15 compound treatment 0.27 0.0473 1.76 0.278 0.0261 1.2 2.0888 0.9824 1564252 TimTec1_003689 CCc1ccc(cc1)N2C(=O)c3ccccc3NC2(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H16 compound treatment 0.244 0.0213 0.79 0.261 0.00913 0.42 0.8546 0.9557 1096919 TimTec1_003690 CN1C(=O)C(O)(CC(=O)c2ccccc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H17 compound treatment 0.255 0.0323 1.2 0.257 0.00513 0.24 1.0144 0.8299 1339640 TimTec1_003691 Cc1cccc(C)c1NC(=O)C2(CCCCC2)N(Cc3ccco3)C(=O)Cc4nc(N)n[nH]4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H18 compound treatment 0.275 0.0522 1.94 0.285 0.0331 1.52 2.447 0.9925 3084715 TimTec1_003692 Cc1ccc(cc1)C(=O)N/C(=C\c2cn(nc2c3ccccc3)c4ccccc4)/C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H19 compound treatment 0.241 0.0182 0.68 0.245 -0.00687 -0.31 0.2577 0.3444 1493856 TimTec1_003693 Oc1cc(n[nH]1)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H20 compound treatment 0.24 0.0173 0.64 0.246 -0.00587 -0.27 0.2637 0.3792 3084716 TimTec1_003694 Cc1ccc(CSc2ncnn2Cc3ccc(C)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H21 compound treatment 0.259 0.0362 1.35 0.264 0.0121 0.56 1.3462 0.9232 1254494 TimTec1_003695 COc1ccc(cc1)c2csc(n2)N3CCCC3C(=O)OCc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H22 compound treatment 0.255 0.0323 1.2 0.262 0.0101 0.46 1.1763 0.9146 1446415 TimTec1_003696 COc1ccc(Cn2cc(nn2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H23 mock treatment 0.223 2.5E-4 0.01 0.263 0.0111 0.51 0.367 0.7199 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 H24 mock treatment 0.23 0.00725 0.27 0.25 -0.00187 -0.09 0.1302 0.4604 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I01 compound treatment 0.254 0.0313 1.16 0.27 0.0181 0.83 1.409 0.9864 1413623 TimTec1_003697 COC(=O)COc1ccc(CSc2nc3ccccc3c(=O)n2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I02 compound treatment 0.249 0.0262 0.98 0.263 0.0111 0.51 1.0509 0.9541 1057656 TimTec1_003698 Nc1ncnc2n(cnc12)C3OC(CO)C=C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I03 compound treatment 0.253 0.0302 1.13 0.26 0.00813 0.37 1.0589 0.8935 3084720 TimTec1_003699 Cc1ccc(Nc2nc(C)cc(C)n2)c(Br)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I04 compound treatment 0.251 0.0283 1.05 0.251 -8.67E-4 -0.04 0.7149 0.6799 3209257 TimTec1_003700 Nc1cc(c2ccccc2)c3ccccc3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I05 compound treatment 0.289 0.0663 2.46 0.31 0.0581 2.66 3.6246 0.9993 1406532 TimTec1_003701 Fc1ccccc1n2nnnc2SCC(=O)N3c4ccccc4Sc5ccc(Cl)cc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I06 compound treatment 0.247 0.0243 0.9 0.267 0.0151 0.69 1.1278 0.9915 3084723 TimTec1_003702 CN1C(=O)C(=CNCc2ccc3OCOc3c2)C(=O)N(C)C1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I07 compound treatment 0.277 0.0543 2.02 0.279 0.0271 1.24 2.3053 0.9729 3209258 TimTec1_003703 COc1ccc(/C=c\2/[nH]\c(=C\C(=O)c3ccccc3)\c(=O)[nH]c2=O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I08 compound treatment 0.324 0.101 3.77 0.328 0.0761 3.49 5.1279 0.9993 1466355 TimTec1_003704 COc1ccc(Cl)cc1C(=O)Nc2ccc(NC(=O)c3ccco3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I09 compound treatment 0.248 0.0253 0.94 0.257 0.00513 0.24 0.8303 0.8576 3209259 TimTec1_003705 OC(=O)C1CSC(N1C(=O)c2ccccc2F)c3ccccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I10 compound treatment 0.249 0.0262 0.98 0.256 0.00413 0.19 0.8242 0.8287 1721830 TimTec1_003706 COC(=O)CC1=C(C)C(=O)CC2C(C)(C)CCC[C@@]21C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I11 compound treatment 0.246 0.0233 0.86 0.258 0.00613 0.28 0.8101 0.8909 3209260 TimTec1_003707 FC(F)(F)c1nnc(NC(=O)CN2C(=O)C3C4CC(C=C4)C3C2=O)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I12 compound treatment 0.247 0.0243 0.9 0.272 0.0201 0.92 1.2896 0.9999 3084757 TimTec1_003708 CN(C)C(=O)Cn1c(=O)oc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I13 compound treatment 0.251 0.0283 1.05 0.256 0.00413 0.19 0.8768 0.8213 3084758 TimTec1_003709 O=C(CSc1nc2ccccc2o1)NCCOC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I14 compound treatment 0.258 0.0352 1.31 0.261 0.00913 0.42 1.2228 0.8885 1684184 TimTec1_003710 COc1ccc(cc1OC)C(O)c2nccn2Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I15 compound treatment 0.381 0.158 5.89 0.363 0.111 5.09 7.7602 0.9974 3209261 TimTec1_003711 CCCc1c(C#N)c(N)nc(SCCCN2CCN(CC2)c3cccc(Cl)c3)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I16 compound treatment 0.245 0.0222 0.83 0.255 0.00313 0.14 0.6866 0.8175 3084761 TimTec1_003712 NC(=S)N1N=C(CC1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I17 compound treatment 0.282 0.0592 2.2 0.286 0.0341 1.56 2.6634 0.9858 3209262 TimTec1_003713 O=C(Nc1ccccc1)/N=c\2/[nH]c(=O)c3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I18 compound treatment 0.248 0.0253 0.94 0.265 0.0131 0.6 1.0893 0.9768 1743320 TimTec1_003714 CC1CC(NCc2ccccc2)N(N1c3ccccc3)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I19 compound treatment 0.253 0.0302 1.13 0.267 0.0151 0.69 1.2856 0.9729 3209263 TimTec1_003715 NC(=O)CC1=NC(=O)CS1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I20 compound treatment 0.236 0.0133 0.49 0.239 -0.0129 -0.59 -0.0681 -0.0886 1279387 TimTec1_003716 CC(=O)Nc1cccc(c1O)c2cc(=O)c3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I21 compound treatment 0.249 0.0262 0.98 0.254 0.00213 0.1 0.7595 0.774 3084764 TimTec1_003717 CC1(C)COC(=N1)/C=C(\N)/c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I22 compound treatment 0.291 0.0683 2.54 0.312 0.0601 2.75 3.7419 0.9992 1589286 TimTec1_003718 Clc1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N3CCC(=O)C4CCCCC43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I23 mock treatment 0.242 0.0193 0.72 0.26 0.00813 0.37 0.7696 0.9536 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 I24 mock treatment 0.229 0.00625 0.23 0.26 0.00813 0.37 0.4277 0.9743 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J01 compound treatment 0.231 0.00825 0.31 0.251 -8.67E-4 -0.04 0.1889 0.6106 1383518 TimTec1_003719 Cc1nc(Oc2ccc(Cl)cc2)c(C(=O)O)c(C)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J02 compound treatment 0.235 0.0123 0.46 0.254 0.00213 0.1 0.3913 0.8396 1251766 TimTec1_003720 COc1ccc(OC)c(Nc2nc(cs2)c3c(C)nc4sccn34)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J03 compound treatment 0.233 0.0103 0.38 0.256 0.00413 0.19 0.4034 0.9478 3084768 TimTec1_003721 CCN/1C(=O)CS\C1=N/N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J04 compound treatment 0.247 0.0243 0.9 0.256 0.00413 0.19 0.7716 0.8372 3209264 TimTec1_003722 CC(C)CC1NC(=O)N(C1=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J05 compound treatment 0.239 0.0163 0.6 0.256 0.00413 0.19 0.5612 0.8861 3084770 TimTec1_003723 FC(F)(F)C(=O)Nc1ccc2nn(nc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J06 compound treatment 0.243 0.0203 0.75 0.26 0.00813 0.37 0.7959 0.9473 3209265 TimTec1_003724 Oc1ccccc1N2CCCC2=N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J07 compound treatment 0.241 0.0182 0.68 0.257 0.00513 0.24 0.6462 0.8995 3084773 TimTec1_003725 Nc1cc(ccc1Sc2nc3ccccc3s2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J08 compound treatment 0.243 0.0203 0.75 0.255 0.00313 0.14 0.634 0.8269 3209266 TimTec1_003726 O=C(CCSc1ccccc1)NCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J09 compound treatment 0.245 0.0222 0.83 0.252 1.33E-4 0.01 0.5895 0.7123 1504517 TimTec1_003727 COc1cc(ccc1O)C(=O)OC2CC3CCC(C2)N3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J10 compound treatment 0.264 0.0413 1.53 0.281 0.0291 1.33 2.0281 0.9976 3084774 TimTec1_003728 CCOC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc3ccccc3F)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J11 compound treatment 0.266 0.0432 1.61 0.272 0.0201 0.92 1.7894 0.9651 1209465 TimTec1_003729 NC(=O)c1oc2ccccc2c1NC(=O)CSc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J12 compound treatment 0.388 0.165 6.15 0.395 0.143 6.55 8.9804 0.9995 3084776 TimTec1_003730 CCOC(=O)C1=C(C)N/C(=C/c2ccccc2)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J13 compound treatment 0.247 0.0243 0.9 0.265 0.0131 0.6 1.063 0.9806 1488603 TimTec1_003731 CSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J14 compound treatment 0.238 0.0153 0.57 0.253 0.00113 0.05 0.4378 0.7686 3084778 TimTec1_003732 CN(Cc1ccccc1)C(=O)c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J15 compound treatment 0.237 0.0143 0.53 0.242 -0.00987 -0.45 0.0553 0.0795 1610985 TimTec1_003733 Cn1cnnc1c2cccc(NC(=O)C(c3ccccc3)c4ccccc4)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J16 compound treatment 0.267 0.0442 1.65 0.272 0.0201 0.92 1.8157 0.9625 1385134 TimTec1_003734 COc1cc(ccc1OCc2ccc(Cl)cc2)C(=O)NCc3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J17 compound treatment 0.292 0.0693 2.58 0.296 0.0441 2.02 3.2502 0.9928 1566664 TimTec1_003735 Nc1nonc1c2nc3ccccc3n2Cc4ccc(F)cc4Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J18 compound treatment 0.238 0.0153 0.57 0.251 -8.67E-4 -0.04 0.373 0.656 3209267 TimTec1_003736 O=C(NC1CCS(=O)(=O)C1)/C(=C/c2ccccc2)/NC(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J19 compound treatment 0.256 0.0333 1.24 0.261 0.00913 0.42 1.1702 0.8964 1711733 TimTec1_003737 Cn1c(S)nnc1COc2ccc(cc2)C(C)(C)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J20 compound treatment 0.238 0.0153 0.57 0.256 0.00413 0.19 0.5349 0.8946 1660155 TimTec1_003738 CC(Oc1ccc2c3CCCc3c(=O)oc2c1)C(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J21 compound treatment 0.24 0.0173 0.64 0.251 -8.67E-4 -0.04 0.4256 0.6621 1699825 TimTec1_003739 COc1cccc(c1)C(=O)NCC2(CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J22 compound treatment 0.249 0.0262 0.98 0.26 0.00813 0.37 0.9537 0.9127 1582857 TimTec1_003740 Oc1c(c2ccn(n2)c3ccccc3)c(=O)n(c4ccccc4)c5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J23 mock treatment 0.226 0.00325 0.12 0.256 0.00413 0.19 0.2193 0.9766 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 J24 mock treatment 0.223 2.5E-4 0.01 0.255 0.00313 0.14 0.108 0.7514 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K01 compound treatment 0.223 2.5E-4 0.01 0.253 0.00113 0.05 0.0433 0.8207 1297374 TimTec1_003741 OC(=O)c1ccc(CSc2nnnn2C3CCCCC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K02 compound treatment 0.238 0.0153 0.57 0.256 0.00413 0.19 0.5349 0.8946 1280009 TimTec1_003742 Brc1ccccc1C(CC(=O)c2ccccc2)C3C(=O)NC(=O)NC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K03 compound treatment 0.301 0.0783 2.91 0.313 0.0611 2.8 4.0373 0.9998 3084823 TimTec1_003743 CCC(=C1C(=O)NC(=O)NC1=O)Nc2ccccc2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K04 compound treatment 0.29 0.0673 2.5 0.305 0.0531 2.43 3.489 0.9999 3209268 TimTec1_003744 Cc1ccc(cc1)c2cc(O)nc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K05 compound treatment 0.248 0.0253 0.94 0.269 0.0171 0.78 1.2188 0.996 3209269 TimTec1_003745 O=c1[nH]c(=S)c2CCCc2n1N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K06 compound treatment 0.24 0.0173 0.64 0.261 0.00913 0.42 0.7494 0.9785 1426461 TimTec1_003746 CS(=O)(=O)N(CCC#N)Cc1ccco1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K07 compound treatment 0.26 0.0372 1.39 0.272 0.0201 0.92 1.6316 0.9804 1414086 TimTec1_003747 COc1cccc(c1)C2N(C(=O)C(=C2C(=O)c3ccc(Cl)cc3)O)c4ccc(OCC(=O)O)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K08 compound treatment 0.243 0.0203 0.75 0.256 0.00413 0.19 0.6664 0.8581 1107242 TimTec1_003748 O=S(=O)(Nc1cccnc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K09 compound treatment 0.245 0.0222 0.83 0.26 0.00813 0.37 0.8485 0.935 1611751 TimTec1_003749 CCOC(=O)c1ccc(cc1)N2C(C(Oc3ccccc3)C2=O)c4ccc(OCC)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K10 compound treatment 0.247 0.0243 0.9 0.261 0.00913 0.42 0.9335 0.9389 3084827 TimTec1_003750 Cc1c(N=C2c3ccccc3-c4ccccc24)c(=O)n(c5ccccc5)n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K11 compound treatment 0.236 0.0133 0.49 0.249 -0.00287 -0.13 0.2557 0.5013 1139869 TimTec1_003751 CCOC(=O)C1=C(NC(=O)C(C#N)C21CCCCC2)SCC(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K12 compound treatment 0.267 0.0442 1.65 0.275 0.0231 1.06 1.9128 0.9773 3084829 TimTec1_003752 CC(NC(=O)Oc1c(Cl)cc(Cl)c2ccccc12)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K13 compound treatment 0.249 0.0262 0.98 0.276 0.0241 1.1 1.4717 0.9981 1248629 TimTec1_003753 CC1(C)CC(C)(c2ccccc2)c3ccccc3N1C(=O)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K14 compound treatment 0.248 0.0253 0.94 0.259 0.00713 0.33 0.895 0.9001 1738055 TimTec1_003754 NS(=O)(=O)c1ccccc1C(=O)N2CCN(CC2)C(=O)c3ccccc3S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K15 compound treatment 0.248 0.0253 0.94 0.257 0.00513 0.24 0.8303 0.8576 3211496 TimTec1_003755 Fc1ccc(NC(=O)CS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K16 compound treatment 0.256 0.0333 1.24 0.266 0.0141 0.65 1.3321 0.9543 3084832 TimTec1_003756 CCOC(=O)Nc1cccc2nsnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K17 compound treatment 0.282 0.0592 2.2 0.291 0.0391 1.79 2.8253 0.9947 3211497 TimTec1_003757 CCCCC(CC)CSc1nc2cccnc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K18 compound treatment 0.241 0.0182 0.68 0.252 1.33E-4 0.01 0.4843 0.7134 3211498 TimTec1_003758 Clc1ccc(Cl)c(c1)S(=O)(=O)NCCOC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K19 compound treatment 0.246 0.0233 0.86 0.261 0.00913 0.42 0.9072 0.9444 3084834 TimTec1_003759 NC(=O)Oc1cccc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K20 compound treatment 0.253 0.0302 1.13 0.259 0.00713 0.33 1.0266 0.8762 1510460 TimTec1_003760 Fc1ccc(CC2Sc3nc4ccccc4n3C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K21 compound treatment 0.242 0.0193 0.72 0.259 0.00713 0.33 0.7372 0.9368 3084866 TimTec1_003761 Cc1ccc(cc1)C(F)(F)C(F)(F)c2ccccc2c3nn[nH]n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K22 compound treatment 0.265 0.0423 1.57 0.294 0.0421 1.93 2.4753 0.9948 3211499 TimTec1_003762 Cn1nnc(n1)N2C(C(=C(O)C2=O)C(=O)c3ccco3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K23 mock treatment 0.253 0.0302 1.13 0.261 0.00913 0.42 1.0913 0.9092 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 K24 mock treatment 0.226 0.00325 0.12 0.253 0.00113 0.05 0.1222 0.9287 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L01 compound treatment 0.23 0.00725 0.27 0.26 0.00813 0.37 0.454 0.9874 3211500 TimTec1_003763 O=C(N/C(=C/c1ccccc1)/C(=O)N2CCc3ccccc3C2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L02 compound treatment 0.253 0.0302 1.13 0.267 0.0151 0.69 1.2856 0.9729 1595878 TimTec1_003764 CC(C)c1ccc(cc1)S(=O)(=O)N2CCN(C(C)C2)S(=O)(=O)c3ccc(cc3)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L03 compound treatment 0.247 0.0243 0.9 0.256 0.00413 0.19 0.7716 0.8372 1381352 TimTec1_003765 NC(=O)CCNC1(CC2CC3CC(C2)C1)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L04 compound treatment 0.251 0.0283 1.05 0.252 1.33E-4 0.01 0.7473 0.7112 3084870 TimTec1_003766 COc1ccc(C(OC(=O)C)C#N)c(OCc2ccccc2)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L05 compound treatment 0.253 0.0302 1.13 0.267 0.0151 0.69 1.2856 0.9729 3211501 TimTec1_003767 Cc1cc(=O)oc2c3C(=O)/C(=C/c4ccc(Cl)cc4)/Oc3ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L06 compound treatment 0.244 0.0213 0.79 0.263 0.0111 0.51 0.9194 0.9775 1452130 TimTec1_003768 CC1(C)CC(CC(C)(C)N1O)NS(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L07 compound treatment 0.273 0.0503 1.87 0.271 0.0191 0.88 1.9411 0.9404 3211502 TimTec1_003769 CCn1c2nc(cn2c3ccccc13)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L08 compound treatment 0.248 0.0253 0.94 0.258 0.00613 0.28 0.8627 0.88 3084873 TimTec1_003770 O=C(CCSc1ccccc1)NC2CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L09 compound treatment 0.249 0.0262 0.98 0.257 0.00513 0.24 0.8566 0.853 1521475 TimTec1_003771 CCc1c(nnn1c2nonc2N)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L10 compound treatment 0.369 0.146 5.44 0.331 0.0791 3.62 6.4086 0.9805 3211503 TimTec1_003772 Cc1cc(ccc1/C=C(/C#N)\c2ccc(F)cc2)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L11 compound treatment 0.242 0.0193 0.72 0.252 1.33E-4 0.01 0.5106 0.7131 1396173 TimTec1_003773 NC(=O)CSC1=C(C#N)C(C(=C(N)N1)C#N)c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L12 compound treatment 0.322 0.0993 3.69 0.34 0.0881 4.04 5.4638 0.999 3211504 TimTec1_003774 COC(=O)C/1=C(C)NC(=O)\C1=C/c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L13 compound treatment 0.278 0.0553 2.06 0.289 0.0371 1.7 2.6554 0.9956 3211505 TimTec1_003775 Cc1oc(cc1C(=O)Nc2cccc(/C=C\C(=O)O)c2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L14 compound treatment 0.243 0.0203 0.75 0.262 0.0101 0.46 0.8607 0.9729 3084877 TimTec1_003776 Clc1ccc(C(=O)NC2CC2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L15 compound treatment 0.252 0.0293 1.09 0.255 0.00313 0.14 0.8707 0.7935 1596451 TimTec1_003777 Cc1oc(cc1C(=O)NCc2ccc(o2)C(=O)O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L16 compound treatment 0.247 0.0243 0.9 0.267 0.0151 0.69 1.1278 0.9915 1551836 TimTec1_003778 CC1=C(C(C(=C(C)N1)C(=O)N)c2ccco2)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L17 compound treatment 0.256 0.0333 1.24 0.26 0.00813 0.37 1.1378 0.881 1181188 TimTec1_003779 CSc1ccccc1C(=O)Nc2cccc(c2)C(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L18 compound treatment 0.251 0.0283 1.05 0.257 0.00513 0.24 0.9092 0.8444 1050401 TimTec1_003780 OC(COc1ccccc1)CN2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L19 compound treatment 0.245 0.0222 0.83 0.261 0.00913 0.42 0.8809 0.95 1378484 TimTec1_003781 Cc1ccc(OCC(=O)Nc2ccc(cc2)N3CCOCC3)c(c1)n4nc5ccccc5n4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L20 compound treatment 0.255 0.0323 1.2 0.265 0.0131 0.6 1.2734 0.949 1477400 TimTec1_003782 CC1CN(CC(C)O1)C(=O)c2cc3ccccc3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L21 compound treatment 0.284 0.0612 2.28 0.292 0.0401 1.84 2.9103 0.9943 1507564 TimTec1_003783 COC(=O)c1ccccc1NC(=O)CC2(C(=O)c3ccccc3C2=O)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L22 compound treatment 0.27 0.0473 1.76 0.283 0.0311 1.43 2.2507 0.9946 1451160 TimTec1_003784 Cn1c(=O)c(C(CC(=O)c2cc3ccccc3oc2=O)Nc4ccccc4)c(O)c5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L23 mock treatment 0.245 0.0222 0.83 0.257 0.00513 0.24 0.7514 0.8734 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 L24 mock treatment 0.231 0.00825 0.31 0.259 0.00713 0.33 0.4479 0.9995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M01 compound treatment 0.22 -0.00275 -0.1 0.255 0.00313 0.14 0.0291 0.1653 1644138 TimTec1_003785 COC(=O)C1OC2(CCCC2)OC1C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M02 compound treatment 0.25 0.0273 1.01 0.256 0.00413 0.19 0.8505 0.8249 1168609 TimTec1_003786 O=C(CC(C1C(=O)NC(=O)NC1=O)c2ccccc2)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M03 compound treatment 0.26 0.0372 1.39 0.268 0.0161 0.74 1.502 0.9566 3084947 TimTec1_003787 CCOC1=NC(N=C2Sc3ccccc3N21)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M04 compound treatment 0.275 0.0522 1.94 0.278 0.0261 1.2 2.2203 0.9729 3211506 TimTec1_003788 Nc1nc2ccc(Cl)cc2c(c1CN3CCOCC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M05 compound treatment 0.307 0.0843 3.13 0.317 0.0651 2.98 4.3246 0.9997 1277239 TimTec1_003789 COc1cc(OC)cc(c1)C(=O)c2ccc(cc2)C(=O)NC3(CC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M06 compound treatment 0.769 0.546 20.32 0.746 0.494 22.62 30.3651 0.9986 3084948 TimTec1_003790 OC(=O)Cn1cc(C=C2C(=O)NC(=O)NC2=O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M07 compound treatment 0.268 0.0452 1.68 0.325 0.0731 3.35 3.5579 0.9493 1682965 TimTec1_003791 OC1=C(C(N(C1=O)c2ccccn2)c3ccccc3)C(=O)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M08 compound treatment 0.276 0.0532 1.98 0.286 0.0341 1.56 2.5056 0.9931 3084949 TimTec1_003792 Cc1sc(N)c(C#N)c1c2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M09 compound treatment 0.245 0.0222 0.83 0.256 0.00413 0.19 0.719 0.8469 3211507 TimTec1_003793 CCN(Cc1ccccc1)S(=O)(=O)c2nc3nc(C)c(C)c(C)n3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M10 compound treatment 0.264 0.0413 1.53 0.263 0.0111 0.51 1.4454 0.894 3084950 TimTec1_003794 Cc1cc(C)nc(N/C(=N/Cc2ccccc2Cl)/N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M11 compound treatment 0.3 0.0772 2.87 0.301 0.0491 2.25 3.6225 0.9927 1289426 TimTec1_003795 CCCOc1c(cnc2ccccc12)c3ccc4ccccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M12 compound treatment 0.24 0.0173 0.64 0.253 0.00113 0.05 0.4904 0.7618 3084951 TimTec1_003796 OC1(CC(=NN1)/C=C/c2cccs2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M13 compound treatment 0.246 0.0233 0.86 0.259 0.00713 0.33 0.8424 0.9113 1348823 TimTec1_003797 CCNC1(CCC1)c2cccc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M14 compound treatment 0.248 0.0253 0.94 0.261 0.00913 0.42 0.9598 0.9336 3211508 TimTec1_003798 CC1=NN(C(=O)CSc2nnc(o2)c3ccncc3)C(C)(O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M15 compound treatment 0.239 0.0163 0.6 0.239 -0.0129 -0.59 0.0108 0.0128 1588714 TimTec1_003799 CCOc1ccc(CC2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M16 compound treatment 0.313 0.0902 3.36 0.315 0.0631 2.89 4.4177 0.9972 1383650 TimTec1_003800 O=C(Nc1ccc2NS(=O)(=O)c3cccc1c23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M17 compound treatment 0.237 0.0143 0.53 0.262 0.0101 0.46 0.7029 0.9978 3211509 TimTec1_003801 CCN(CC)C(=S)SC1CC(=O)N(C1=O)c2ccc(cc2)S(=O)(=O)NC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M18 compound treatment 0.236 0.0133 0.49 0.247 -0.00487 -0.22 0.1909 0.353 1533734 TimTec1_003802 CC1=C(C(=O)Nc2ccccc2)C3(CCCCC3)C(=C(N1)SCC(=O)Nc4nccs4)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M19 compound treatment 0.257 0.0343 1.27 0.278 0.0261 1.2 1.7469 0.9995 3211595 TimTec1_003803 COc1ccc(cc1)C2=CC(SC(=N)N2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M20 compound treatment 0.25 0.0273 1.01 0.258 0.00613 0.28 0.9153 0.8702 1699056 TimTec1_003804 CN(C1CC(C)(C)N(C)C(C)(C)C1)C(=O)c2cc[nH]n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M21 compound treatment 0.249 0.0262 0.98 0.253 0.00113 0.05 0.7271 0.7436 1491671 TimTec1_003805 Nc1nc(N)c2sc(NCC=C)c(C#N)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M22 compound treatment 0.275 0.0522 1.94 0.284 0.0321 1.47 2.4146 0.9906 3211596 TimTec1_003806 Fc1ccc(/C=c\2/[nH]\c(=C\C(=O)c3ccccc3)\c(=O)[nH]c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M23 mock treatment 0.244 0.0213 0.79 0.256 0.00413 0.19 0.6927 0.8523 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 M24 mock treatment 0.21 -0.0127 -0.47 0.259 0.00713 0.33 -0.1044 -0.1813 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N01 compound treatment 0.241 0.0182 0.68 0.246 -0.00587 -0.27 0.29 0.3973 3084958 TimTec1_003807 COc1nc(NC2CC2)nc(Nc3ccc(OC(F)(F)F)cc3)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N02 compound treatment 0.245 0.0222 0.83 0.253 0.00113 0.05 0.6219 0.75 1476683 TimTec1_003808 OC(=O)c1cc(ccc1O)S(=O)(=O)Nc2ccc(O)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N03 compound treatment 0.251 0.0283 1.05 0.255 0.00313 0.14 0.8444 0.7963 3084960 TimTec1_003809 CCOC(=O)/C(=c\1/s\c(=C\2/C=Cc3ccccc3N2CC)\c(=O)n1CC)/C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N04 compound treatment 0.239 0.0163 0.6 0.253 0.00113 0.05 0.4641 0.765 1006588 TimTec1_003810 N#CC(c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N05 compound treatment 0.28 0.0573 2.13 0.295 0.0431 1.97 2.9022 0.9993 1698122 TimTec1_003811 CCSC1=C(C#N)C(C(=C(C)N1)C(=O)OC(C)(C)C)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N06 compound treatment 0.247 0.0243 0.9 0.258 0.00613 0.28 0.8364 0.8853 3084962 TimTec1_003812 CCc1ccc(cc1)C2C(=CNC=C2C(=O)OC)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N07 compound treatment 0.239 0.0163 0.6 0.256 0.00413 0.19 0.5612 0.8861 1644445 TimTec1_003813 CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c2ccc(O)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N08 compound treatment 0.229 0.00625 0.23 0.257 0.00513 0.24 0.3306 1.0 3084964 TimTec1_003814 Cc1cc(/C=N/n2cnnc2)c(C)n1c3ccc(cc3)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N09 compound treatment 0.246 0.0233 0.86 0.255 0.00313 0.14 0.7129 0.8133 3211597 TimTec1_003815 Cc1nnc(SCC(=O)O)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N10 compound treatment 0.27 0.0473 1.76 0.276 0.0241 1.1 2.0241 0.975 3211598 TimTec1_003816 Fc1ccc(/N=C\2/NC(=O)/C(=C\c3ccc(o3)N4CCCC4)/S2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N11 compound treatment 0.308 0.0853 3.17 0.309 0.0571 2.62 4.0919 0.9954 1466268 TimTec1_003817 NC1=C(C#N)C(C(=C(N1)SCc2ccccc2)C#N)c3ccccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N12 compound treatment 0.241 0.0182 0.68 0.254 0.00213 0.1 0.5491 0.8006 3085029 TimTec1_003818 CCOC(=O)N1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N13 compound treatment 0.255 0.0323 1.2 0.266 0.0141 0.65 1.3058 0.9581 3211599 TimTec1_003819 Nc1nc(SCC(=O)c2ccc3ccccc3c2)c(C#N)c(c1C#N)c4cccc(F)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N14 compound treatment 0.239 0.0163 0.6 0.248 -0.00387 -0.18 0.3022 0.4798 3085032 TimTec1_003820 Brc1ccc(cc1)C(=O)NCCSc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N15 compound treatment 0.244 0.0213 0.79 0.257 0.00513 0.24 0.7251 0.8793 1677707 TimTec1_003821 O=C(CC(C(=O)c1ccccc1)c2ccccc2)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N16 compound treatment 0.241 0.0182 0.68 0.263 0.0111 0.51 0.8404 0.99 3085034 TimTec1_003822 COc1ccccc1OCCSc2nc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N17 compound treatment 0.246 0.0233 0.86 0.26 0.00813 0.37 0.8748 0.9291 1302141 TimTec1_003823 Clc1ccc(NC(=O)c2cc(Br)ccc2OCC(=O)NC3CC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N18 compound treatment 0.245 0.0222 0.83 0.249 -0.00287 -0.13 0.4924 0.5876 1645048 TimTec1_003824 CC(C)N1CC2(CN(CC(C1)(C2O)c3ccccc3)C(C)C)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N19 compound treatment 0.25 0.0273 1.01 0.266 0.0141 0.65 1.1743 0.9765 3085037 TimTec1_003825 COc1ccc(cc1)C(=O)/C=C\2/NCC3N(CCc4ccccc34)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N20 compound treatment 0.321 0.0983 3.65 0.28 0.0281 1.29 3.4949 0.902 1574760 TimTec1_003826 COc1ccc(cc1)C2CC(=Nc3ccccc3N2)c4cc5ccccc5oc4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N21 compound treatment 0.254 0.0313 1.16 0.259 0.00713 0.33 1.0529 0.872 3085038 TimTec1_003827 CC(=C)C(=O)Nc1ccc(O)cc1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N22 compound treatment 0.252 0.0293 1.09 0.266 0.0141 0.65 1.2269 0.9692 1563548 TimTec1_003828 CC1=Nc2ccccc2Sc3c1c(=O)n(c4ccccc4)c5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N23 mock treatment 0.241 0.0182 0.68 0.256 0.00413 0.19 0.6138 0.871 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 N24 mock treatment 0.217 -0.00575 -0.21 0.244 -0.00787 -0.36 -0.4059 -0.969 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O01 compound treatment 0.21 -0.0127 -0.47 0.248 -0.00387 -0.18 -0.4605 -0.9098 3085040 TimTec1_003829 CN/1CCS\C1=C/C=C/2\SC(=S)N(C)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O02 compound treatment 0.223 2.5E-4 0.01 0.252 1.33E-4 0.01 0.0109 0.9792 1348649 TimTec1_003830 Oc1c(c2ccon2)c(=O)n(c3ccccc3)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O03 compound treatment 0.229 0.00625 0.23 0.255 0.00313 0.14 0.2658 0.9731 3085042 TimTec1_003831 CCc1nnc(NC(=O)c2nc[nH]n2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O04 compound treatment 0.545 0.322 11.99 0.579 0.327 14.98 19.0668 0.9939 1580872 TimTec1_003832 CCOC(=O)C1=NN(C(CC1=O)c2ccccc2)c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O05 compound treatment 0.29 0.0673 2.5 0.299 0.0471 2.16 3.2947 0.9973 3085044 TimTec1_003833 O=C(c1ccco1)c2cn(nc2C(=O)c3nc4ccccc4s3)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O06 compound treatment 0.24 0.0173 0.64 0.265 0.0131 0.6 0.8789 0.9995 3211600 TimTec1_003834 CCN1C(=O)C(=Cc2ccc(cc2OC)N3CCOCC3)C(=O)N(CC)C1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O07 compound treatment 0.225 0.00225 0.08 0.23 -0.0219 -1.0 -0.6488 -0.6457 1409512 TimTec1_003835 COCC1=NN(C(=O)C1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O08 compound treatment 0.307 0.0843 3.13 0.311 0.0591 2.71 4.1304 0.9973 3211601 TimTec1_003836 CCCc1ccc(cc1)c2c(C)sc(N)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O09 compound treatment 0.247 0.0243 0.9 0.257 0.00513 0.24 0.804 0.8626 3085047 TimTec1_003837 CC(C)CSc1nc(C)c(C)c(C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O10 compound treatment 0.234 0.0113 0.42 0.258 0.00613 0.28 0.4945 0.9812 1586721 TimTec1_003838 CCC1(CC)Cc2ccccc2C(=N1)CC(=O)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O11 compound treatment 0.252 0.0293 1.09 0.265 0.0131 0.6 1.1945 0.9609 1726435 TimTec1_003839 Cn1c(=O)n(C)c2c(O)c([nH]c2c1=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O12 compound treatment 0.244 0.0213 0.79 0.26 0.00813 0.37 0.8222 0.941 1470820 TimTec1_003840 CCC(=O)Nc1ccc2c(C)cc(C)nc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O13 compound treatment 0.243 0.0203 0.75 0.265 0.0131 0.6 0.9578 0.9938 1381475 TimTec1_003841 CCCCc1nc(OCC(=O)c2ccccc2)c(C#N)c3CC(C)(C)OCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O14 compound treatment 0.282 0.0592 2.2 0.281 0.0291 1.33 2.5016 0.9711 1312823 TimTec1_003842 O=CNc1ncc(s1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O15 compound treatment 0.254 0.0313 1.16 0.26 0.00813 0.37 1.0852 0.8891 3211602 TimTec1_003843 FC(F)(F)c1n[nH]c(c1C2(CC3CC4CC(C3)C2)C4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O16 compound treatment 0.25 0.0273 1.01 0.272 0.0201 0.92 1.3685 0.9989 3211603 TimTec1_003844 C/C(=N\N1C(=N)SC(CC1=O)C(=O)Nc2ccc(cc2)C(=O)O)/CCc3ccc4OCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O17 compound treatment 0.25 0.0273 1.01 0.258 0.00613 0.28 0.9153 0.8702 3085116 TimTec1_003845 O=C(NC1=NC(=O)CS1)N2c3ccccc3Sc4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O18 compound treatment 0.237 0.0143 0.53 0.249 -0.00287 -0.13 0.282 0.5164 1326791 TimTec1_003846 COc1ccc(Cl)cc1NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O19 compound treatment 0.251 0.0283 1.05 0.285 0.0331 1.52 1.8157 0.9839 1539349 TimTec1_003847 Cc1cccc2c(cc(=O)[nH]c12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O20 compound treatment 0.234 0.0113 0.42 0.24 -0.0119 -0.54 -0.0883 -0.1288 3211604 TimTec1_003848 CC(C)(CO)NC(=O)CSc1ccc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O21 compound treatment 0.276 0.0532 1.98 0.284 0.0321 1.47 2.4409 0.9893 1701681 TimTec1_003849 Brc1ccc(NCc2c[nH]c3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O22 compound treatment 0.24 0.0173 0.64 0.26 0.00813 0.37 0.717 0.9665 3085119 TimTec1_003850 CN1Cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O23 mock treatment 0.231 0.00825 0.31 0.253 0.00113 0.05 0.2537 0.8151 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 O24 mock treatment 0.197 -0.0257 -0.96 0.248 -0.00387 -0.18 -0.8024 -0.8239 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P01 compound treatment 0.333 0.11 4.1 0.329 0.0771 3.53 5.397 0.9972 1431065 TimTec1_003851 COc1ccc(cc1)n2cnc3cc(NCc4ccccc4O)ccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P02 compound treatment 0.216 -0.00675 -0.25 0.24 -0.0119 -0.54 -0.5617 -0.9385 1424914 TimTec1_003852 N#CCOc1nc(nc(n1)N2CCCCC2)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P03 compound treatment 0.227 0.00425 0.16 0.243 -0.00887 -0.41 -0.1753 -0.4024 1128232 TimTec1_003853 S=C(NCC1COc2ccccc2O1)NC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P04 compound treatment 0.221 -0.00175 -0.07 0.242 -0.00987 -0.45 -0.3655 -0.8007 3085122 TimTec1_003854 O=C(Nc1nnn[nH]1)C2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P05 compound treatment 0.276 0.0532 1.98 0.283 0.0311 1.43 2.4085 0.987 3211605 TimTec1_003855 OC1(NC(=C(C#N)C(C1C(=O)c2cccs2)c3ccccc3Cl)SCC=C)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P06 compound treatment 0.227 0.00425 0.16 0.247 -0.00487 -0.22 -0.0458 -0.1676 1623934 TimTec1_003856 COC(=O)C1=C(C)NC2=C(C1c3cccs3)C(=O)CC(C2)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P07 compound treatment 0.23 0.00725 0.27 0.252 1.33E-4 0.01 0.195 0.7229 1244903 TimTec1_003857 Cc1ccc(cc1)N(CC(=O)c2ccccc2)CC(=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P08 compound treatment 0.232 0.00925 0.34 0.252 1.33E-4 0.01 0.2476 0.7195 3211823 TimTec1_003858 CC/N=C/1\S/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)/C(=O)N1CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P09 compound treatment 0.234 0.0113 0.42 0.257 0.00513 0.24 0.4621 0.9628 3085124 TimTec1_003859 O=C(CCn1c(=O)sc2ccccc12)n3c(=O)sc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P10 compound treatment 0.222 -7.5E-4 -0.03 0.241 -0.0109 -0.5 -0.3715 -0.7456 1013674 TimTec1_003860 Clc1ccc(cc1)C(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P11 compound treatment 0.225 0.00225 0.08 0.246 -0.00587 -0.27 -0.1308 -0.4648 1436854 TimTec1_003861 Cc1oc2CCCCc2c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P12 compound treatment 0.228 0.00525 0.2 0.239 -0.0129 -0.59 -0.2785 -0.4487 3211705 TimTec1_003862 CN(CC(=O)N1CCN(CC1)c2ccccc2)S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P13 compound treatment 0.23 0.00725 0.27 0.244 -0.00787 -0.36 -0.064 -0.1423 1144432 TimTec1_003863 CSc1ccc(cc1)S(=O)(=O)Nc2c(C)cc(OCC(=O)N3CCOCC3)cc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P14 compound treatment 0.226 0.00325 0.12 0.247 -0.00487 -0.22 -0.0721 -0.2844 3211706 TimTec1_003864 OC(=O)c1ccc2NC(C3C4CCC(C4)C3c2c1)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P15 compound treatment 0.226 0.00325 0.12 0.25 -0.00187 -0.09 0.025 0.1691 1154434 TimTec1_003865 CN(C)S(=O)(=O)Nc1cccc(N)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P16 compound treatment 0.224 0.00125 0.05 0.251 -8.67E-4 -0.04 0.0048 0.0788 3211707 TimTec1_003866 COc1ccc(OCCSc2nc3ccccc3o2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P17 compound treatment 0.233 0.0103 0.38 0.245 -0.00687 -0.31 0.0473 0.0956 1371642 TimTec1_003867 CC(Oc1ccccc1Br)C(=O)N2CCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P18 compound treatment 0.235 0.0123 0.46 0.239 -0.0129 -0.59 -0.0944 -0.1267 3085128 TimTec1_003868 C=CCN(C(=O)C1CCC=CC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P19 compound treatment 0.221 -0.00175 -0.07 0.248 -0.00387 -0.18 -0.1712 -0.9077 1394194 TimTec1_003869 COC(=O)c1c(NC(=O)C2CCCC2)sc3CCCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P20 compound treatment 0.238 0.0153 0.57 0.253 0.00113 0.05 0.4378 0.7686 3085130 TimTec1_003870 CCC(C)(C)c1ccc(OC2CSC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P21 compound treatment 0.214 -0.00875 -0.33 0.24 -0.0119 -0.54 -0.6143 -0.97 3211708 TimTec1_003871 CCc1ccc2OCC(C(F)(F)F)S(=O)(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P22 compound treatment 0.234 0.0113 0.42 0.262 0.0101 0.46 0.624 0.9987 3085131 TimTec1_003872 Oc1ccc(cc1)C(Nc2cccnc2)Sc3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P23 mock treatment 0.211 -0.0118 -0.44 0.244 -0.00787 -0.36 -0.5637 -0.9954 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2073 P24 mock treatment 0.186 -0.0367 -1.37 0.193 -0.0589 -2.7 -2.8724 -0.9505 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A01 compound treatment 0.198 -0.0535 -1.99 0.2 -0.048 -2.2 -2.9597 -0.9988 1509421 TimTec1_003873 OC(C1CN2CCC1CC2)(c3cccs3)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A02 compound treatment 0.246 -0.00548 -0.2 0.22 -0.028 -1.28 -1.0497 -0.8095 3085133 TimTec1_003874 Brc1ccc(NCCC(=O)c2ccc3OCOc3c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A03 compound treatment 0.244 -0.00748 -0.28 0.253 0.00503 0.23 -0.0339 -0.0938 1626877 TimTec1_003875 CCOC(=O)c1cc(sc1NC(=O)CCN2CCN(CC)CC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A04 compound treatment 0.233 -0.0185 -0.69 0.231 -0.017 -0.78 -1.0355 -0.9981 3211709 TimTec1_003876 COC(C(=O)NCc1ccc(Cl)cc1Cl)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A05 compound treatment 0.323 0.0715 2.66 0.294 0.046 2.11 3.3713 0.9934 3085202 TimTec1_003877 Cc1ccc(Nc2c(O)[nH]c(=O)n2N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A06 compound treatment 0.233 -0.0185 -0.69 0.237 -0.011 -0.5 -0.8412 -0.9881 1917644 TimTec1_003878 CC1=C(C(=O)OCc2ccccc2)C3(O)C(=O)c4ccccc4C3(O)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A07 compound treatment 0.239 -0.0125 -0.46 0.231 -0.017 -0.78 -0.8777 -0.9697 3211710 TimTec1_003879 C(N1CCN(CC1)c2ncnc3sc4CCCCCc4c23)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A08 compound treatment 0.237 -0.0145 -0.54 0.247 -9.68E-4 -0.04 -0.4123 -0.7627 1084987 TimTec1_003880 OC(=O)c1ccc2nc(O)c(O)nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A09 compound treatment 0.244 -0.00748 -0.28 0.248 3.23E-5 0.0 -0.1958 -0.7033 3211711 TimTec1_003881 CC(C)c1ccc(NC(=O)NCC2CCCO2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A10 compound treatment 0.259 0.00752 0.28 0.228 -0.02 -0.91 -0.4488 -0.4694 1015637 TimTec1_003882 Clc1ccc(cc1)c2cc3ccccc3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A11 compound treatment 0.243 -0.00848 -0.32 0.246 -0.00197 -0.09 -0.2868 -0.8741 3211712 TimTec1_003883 Cn1cc(/C(=N\O)/Cc2ccccc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A12 compound treatment 0.245 -0.00648 -0.24 0.239 -0.00897 -0.41 -0.4609 -0.9678 3211713 TimTec1_003884 Cc1nn(Cc2cccc(c2)C(=O)Nc3cccc(C)c3C)c(C)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A13 compound treatment 0.23 -0.0215 -0.8 0.216 -0.032 -1.46 -1.6 -0.9595 1851015 TimTec1_003885 CCc1ccc(OC(=O)COc2ccc(Br)c(C)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A14 compound treatment 0.229 -0.0225 -0.84 0.244 -0.00397 -0.18 -0.7198 -0.8411 3211714 TimTec1_003886 CC1(C)Cc2ccccc2C(=N1)NC(Cc3c[nH]c4ccccc34)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A15 compound treatment 0.235 -0.0165 -0.61 0.236 -0.012 -0.55 -0.821 -0.9984 1208534 TimTec1_003887 COC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A16 compound treatment 0.242 -0.00948 -0.35 0.235 -0.013 -0.59 -0.6693 -0.9691 1464409 TimTec1_003888 COc1ccc(OC)c2c(C)cc(=O)[nH]c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A17 compound treatment 0.227 -0.0245 -0.91 0.227 -0.021 -0.96 -1.3228 -0.9997 1255944 TimTec1_003889 COC(=O)c1ccccc1NC(=O)c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A18 compound treatment 0.243 -0.00848 -0.32 0.241 -0.00697 -0.32 -0.4487 -1.0 3211715 TimTec1_003890 Cc1nnc(Sc2cc(C)nc3ccccc23)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A19 compound treatment 0.233 -0.0185 -0.69 0.231 -0.017 -0.78 -1.0355 -0.9981 3211716 TimTec1_003891 CCOc1ccc(CC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A20 compound treatment 0.238 -0.0135 -0.5 0.219 -0.029 -1.33 -1.2925 -0.9115 225200 TimTec1_003892 Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A21 compound treatment 0.212 -0.0395 -1.47 0.227 -0.021 -0.96 -1.7173 -0.9788 3211717 TimTec1_003893 CC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A22 compound treatment 0.309 0.0575 2.14 0.316 0.068 3.11 3.7154 0.9832 3085213 TimTec1_003894 Brc1cc(N/C=C\2/C(=O)NC(=S)N(C2=O)c3ccccc3)ccc1N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A23 mock treatment 0.225 -0.0265 -0.99 0.233 -0.015 -0.69 -1.1811 -0.9843 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 A24 mock treatment 0.191 -0.0605 -2.25 0.19 -0.058 -2.65 -3.4676 -0.9966 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B01 compound treatment 0.253 0.00152 0.06 0.24 -0.00797 -0.36 -0.2181 -0.5908 3211718 TimTec1_003895 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cc(Br)c(=O)[nH]c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B02 compound treatment 0.252 5.16E-4 0.02 0.252 0.00403 0.18 0.1441 0.7764 3211719 TimTec1_003896 COC(=O)C1=NNC(C1c2ccccc2)C(=O)OC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B03 compound treatment 0.259 0.00752 0.28 0.258 0.01 0.46 0.5225 0.9717 3085215 TimTec1_003897 CN1[C@H](CC(O)c2ccccc2)CCCC1CC(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B04 compound treatment 0.272 0.0205 0.76 0.271 0.023 1.05 1.2853 0.9874 3211720 TimTec1_003898 CCOC(=O)CNc1nnc(c2ccccc2)c(c1C#N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B05 compound treatment 0.31 0.0585 2.18 0.309 0.061 2.79 3.515 0.9924 3085217 TimTec1_003899 COc1c(N)cc(Oc2cccc(c2)C(F)(F)F)c3nc(C)cc(C)c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B06 compound treatment 0.257 0.00552 0.21 0.257 0.00903 0.41 0.4375 0.9477 1047737 TimTec1_003900 COC(=O)C1CN(C)CCC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B07 compound treatment 0.322 0.0705 2.62 0.307 0.059 2.7 3.7659 0.9999 3211721 TimTec1_003901 CC(C)(C)c1oc(cc1COCC(F)(F)F)C(=O)Nc2ccc3c(c2)oc4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B08 compound treatment 0.275 0.0235 0.87 0.272 0.024 1.1 1.3966 0.9935 3211722 TimTec1_003902 CC(C)NC(=O)c1ccccc1NC(=O)CN2C(=O)c3cccc4cccc2c34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B09 compound treatment 0.302 0.0505 1.88 0.297 0.049 2.25 2.9161 0.9961 1305957 TimTec1_003903 Clc1cccc(Cl)c1CN(Cc2ccccc2)c3ncnc4[nH]cnc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B10 compound treatment 0.259 0.00752 0.28 0.259 0.011 0.51 0.5549 0.9611 1515666 TimTec1_003904 NNC(=O)C1C2CCCCC12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B11 compound treatment 0.667 0.416 15.46 0.625 0.377 17.26 23.1354 0.9985 3211723 TimTec1_003905 OC(=O)C(=C1SCCS1)C(=O)/C=C/c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B12 compound treatment 0.271 0.0195 0.73 0.268 0.02 0.92 1.1619 0.9933 3085287 TimTec1_003906 Cc1ccc(cc1)N2C(=O)C(=CC2(O)c3ccccc3)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B13 compound treatment 0.251 -4.84E-4 -0.02 0.252 0.00403 0.18 0.1178 0.6352 1580685 TimTec1_003907 CCc1ccccc1NC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B14 compound treatment 0.259 0.00752 0.28 0.259 0.011 0.51 0.5549 0.9611 3211724 TimTec1_003908 COc1ccccc1N/C(=N\O)/c2nonc2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B15 compound treatment 0.266 0.0145 0.54 0.264 0.016 0.73 0.9009 0.9886 3085290 TimTec1_003909 Clc1ccc(cc1)c2ccc(/C=N/C3CCS(=O)(=O)C3)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B16 compound treatment 0.266 0.0145 0.54 0.266 0.018 0.83 0.9656 0.9788 3211725 TimTec1_003910 OC(=O)c1cccc(/N=C/c2ccc(cc2)N3CCOCC3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B17 compound treatment 0.289 0.0375 1.4 0.286 0.038 1.74 2.2181 0.994 3211726 TimTec1_003911 CCn1c(=O)c(/C=C\2/C(=O)NN=C2c3ccccc3)c(O)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B18 compound treatment 0.259 0.00752 0.28 0.26 0.012 0.55 0.5872 0.9505 3085292 TimTec1_003912 C(=N/c1n[nH]c(\N=C\c2ccccc2)n1)\c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B19 compound treatment 0.249 -0.00248 -0.09 0.245 -0.00297 -0.14 -0.1614 -0.9823 3211727 TimTec1_003913 FC(F)(F)c1nnc(S)n1/N=C/c2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B20 compound treatment 0.253 0.00152 0.06 0.256 0.00803 0.37 0.2999 0.8061 3085294 TimTec1_003914 FC(F)(F)c1ccccc1NC(=O)CSc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B21 compound treatment 0.258 0.00652 0.24 0.256 0.00803 0.37 0.4314 0.9795 1454180 TimTec1_003915 Cc1nn(c(Cl)c1C2N(Cc3ccccc3)CCN2Cc4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B22 compound treatment 0.258 0.00652 0.24 0.26 0.012 0.55 0.5609 0.932 1565629 TimTec1_003916 CCOC(=O)c1c(CN(C)C)n(C)c2cc(Br)c(OC)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B23 mock treatment 0.258 0.00652 0.24 0.258 0.01 0.46 0.4962 0.9554 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 B24 mock treatment 0.251 -4.84E-4 -0.02 0.251 0.00303 0.14 0.0854 0.6103 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C01 compound treatment 0.246 -0.00548 -0.2 0.246 -0.00197 -0.09 -0.2079 -0.9325 1262920 TimTec1_003917 CC(C)NC(=O)c1ccccc1CCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C02 compound treatment 0.267 0.0155 0.58 0.267 0.019 0.87 1.0243 0.98 3085297 TimTec1_003918 O=C(CCN1CCN(CC1)c2ccccc2)c3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C03 compound treatment 0.317 0.0655 2.44 0.314 0.066 3.02 3.861 0.9943 1344204 TimTec1_003919 COc1ccc(cc1)c2csc(NC(=O)Cc3cccc4ccccc34)c2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C04 compound treatment 0.268 0.0165 0.61 0.272 0.024 1.1 1.2125 0.9621 3211824 TimTec1_003920 CC(NC(=O)c1ccc(CSc2ccccc2)cc1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C05 compound treatment 0.578 0.327 12.14 0.564 0.316 14.47 18.8196 0.9962 3085300 TimTec1_003921 NC1=NNC2=C(NNN12)c3ccccc3C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C06 compound treatment 0.25 -0.00148 -0.06 0.247 -9.68E-4 -0.04 -0.0704 -0.9941 1738981 TimTec1_003922 O=c1n(nc(c2ccccc2)c3ccccc13)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C07 compound treatment 0.266 0.0145 0.54 0.264 0.016 0.73 0.9009 0.9886 3085302 TimTec1_003923 COc1cc(/C=C/C)ccc1Oc2nnc(C)c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C08 compound treatment 0.314 0.0625 2.33 0.31 0.062 2.84 3.6526 0.9951 1410588 TimTec1_003924 Brc1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C09 compound treatment 0.245 -0.00648 -0.24 0.243 -0.00497 -0.23 -0.3314 -0.9996 1451839 TimTec1_003925 CC(C)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C10 compound treatment 0.264 0.0125 0.47 0.263 0.015 0.69 0.8159 0.9819 3211825 TimTec1_003926 COc1ccc(c(OC)c1)c2oc3ccc(OC)cc3c(=O)c2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C11 compound treatment 0.256 0.00452 0.17 0.258 0.01 0.46 0.4436 0.9069 1232921 TimTec1_003927 Cc1ccc(OC(=O)COc2ccc3ccccc3c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C12 compound treatment 0.251 -4.84E-4 -0.02 0.249 0.00103 0.05 0.0207 0.4092 1881298 TimTec1_003928 CC(C)(C)c1ccccc1NC(=O)c2cccc(Cn3cc(Cl)cn3)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C13 compound treatment 0.249 -0.00248 -0.09 0.247 -9.68E-4 -0.04 -0.0967 -0.9434 3085306 TimTec1_003929 CCc1ccc(OC(=O)c2ccc(C)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C14 compound treatment 0.257 0.00552 0.21 0.252 0.00403 0.18 0.2756 0.9986 3211826 TimTec1_003930 NS(=O)(=O)c1ccc(Nc2nc(cs2)c3cccs3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C15 compound treatment 0.251 -4.84E-4 -0.02 0.247 -9.68E-4 -0.04 -0.0441 -0.9212 1544060 TimTec1_003931 Brc1c(OCC(=O)NCCC2=CCCCC2)ccc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C16 compound treatment 0.255 0.00352 0.13 0.253 0.00503 0.23 0.2554 0.964 1058123 TimTec1_003932 COc1ccc(OC)c2c(C)cc(Cl)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C17 compound treatment 0.251 -4.84E-4 -0.02 0.251 0.00303 0.14 0.0854 0.6103 1506791 TimTec1_003933 CCC(CC)NC(=O)c1ccc(OC)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C18 compound treatment 0.254 0.00252 0.09 0.253 0.00503 0.23 0.2291 0.9212 1441088 TimTec1_003934 OC(=O)C(NC(=O)CSc1nnnn1c2ccccc2)(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C19 compound treatment 0.24 -0.0115 -0.43 0.241 -0.00697 -0.32 -0.5276 -0.9897 3085378 TimTec1_003935 CN(C)c1nc(N)nc(Cn2ccnc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C20 compound treatment 0.253 0.00152 0.06 0.252 0.00403 0.18 0.1704 0.8828 3211827 TimTec1_003936 NNc1ccn(C2OC(CO)C(O)C2O)c(=O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C21 compound treatment 0.233 -0.0185 -0.69 0.233 -0.015 -0.69 -0.9707 -1.0 1668209 TimTec1_003937 Nc1nnnn1CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C22 compound treatment 0.291 0.0395 1.47 0.286 0.038 1.74 2.2707 0.9964 3211828 TimTec1_003938 COCCN1C(=C(C(=O)OC)/C(=C/c2c(Cl)cccc2Cl)/C1=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C23 mock treatment 0.243 -0.00848 -0.32 0.241 -0.00697 -0.32 -0.4487 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 C24 mock treatment 0.232 -0.0195 -0.72 0.23 -0.018 -0.82 -1.0942 -0.998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D01 compound treatment 0.252 5.16E-4 0.02 0.246 -0.00197 -0.09 -0.0501 -0.5442 3085382 TimTec1_003939 CC(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)n2cc(C)c(=O)[nH]c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D02 compound treatment 0.281 0.0295 1.1 0.277 0.029 1.33 1.7163 0.9955 3211829 TimTec1_003940 Fc1ccc(Nn2c(nc3ccccc3c2=O)c4ccccc4)c(F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D03 compound treatment 0.275 0.0235 0.87 0.273 0.025 1.15 1.4289 0.9911 3085384 TimTec1_003941 CCN(CC)/C=C/C(=O)c1ccccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D04 compound treatment 0.263 0.0115 0.43 0.265 0.017 0.78 0.8543 0.9602 1632200 TimTec1_003942 CCOC(=O)c1sc(NC(=O)CC)c(C(=O)OCC)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D05 compound treatment 0.247 -0.00448 -0.17 0.245 -0.00297 -0.14 -0.214 -0.9948 3085386 TimTec1_003943 COc1cc2CC3(Cc2cc1OC)N(C)Cc4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D06 compound treatment 0.249 -0.00248 -0.09 0.249 0.00103 0.05 -0.0319 -0.3075 3211830 TimTec1_003944 CNC(C)[C@@H](O)c1ccc(O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D07 compound treatment 0.257 0.00552 0.21 0.258 0.01 0.46 0.4699 0.934 1329060 TimTec1_003945 OCC1(CO)COC2(CCCCC2)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D08 compound treatment 0.259 0.00752 0.28 0.257 0.00903 0.41 0.4901 0.9818 3211831 TimTec1_003946 CCOC(=O)c1sc(nc1C)n2nc(C)cc2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D09 compound treatment 0.287 0.0355 1.32 0.287 0.039 1.79 2.1978 0.9889 3211832 TimTec1_003947 COc1ccc(cc1)N2CC(=O)N(/N=C/c3ccc(cc3)N(C)C)C2=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D10 compound treatment 0.273 0.0215 0.8 0.275 0.027 1.24 1.4411 0.9777 3085389 TimTec1_003948 O=C(CSc1cccc(n1)c2ccccc2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D11 compound treatment 0.298 0.0465 1.73 0.295 0.047 2.15 2.7461 0.9941 3211833 TimTec1_003949 O=C/1Nc2ccccc2\C1=N/N3C(=O)/C(=C/c4ccccc4)/N=C3c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D12 compound treatment 0.249 -0.00248 -0.09 0.248 3.23E-5 0.0 -0.0643 -0.6957 1282238 TimTec1_003950 CC(C)NC(=O)COc1ccc(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D13 compound treatment 0.378 0.127 4.71 0.366 0.118 5.4 7.1489 0.9976 1920102 TimTec1_003951 FC(F)(F)c1cccc(/N=C/2\C(=O)Nc3ccccc23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D14 compound treatment 0.256 0.00452 0.17 0.256 0.00803 0.37 0.3788 0.937 3085391 TimTec1_003952 COC1=CC(=O)OC21CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D15 compound treatment 0.315 0.0635 2.36 0.301 0.053 2.43 3.3875 0.9999 3085393 TimTec1_003953 CCN1C(=O)/C(=C/2\SC(=S)N(NC(=O)C)C2=O)/c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D16 compound treatment 0.262 0.0105 0.39 0.26 0.012 0.55 0.6661 0.9859 1168752 TimTec1_003954 CCOC(=O)C1=C(C)OC(=C(C(=O)OCC)C21C(=O)Nc3ccccc32)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D17 compound treatment 0.305 0.0535 1.99 0.301 0.053 2.43 3.1245 0.9951 1702369 TimTec1_003955 COc1ccc(cc1)c2csc(n2)N3N=C(C)C(C(C(C#N)C(=O)N)c4ccc(Cl)cc4)C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D18 compound treatment 0.27 0.0185 0.69 0.268 0.02 0.92 1.1356 0.99 3085395 TimTec1_003956 CCOC(=O)c1sc2c(OC)c(Br)ccc2c1NC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D19 compound treatment 0.254 0.00252 0.09 0.255 0.00703 0.32 0.2939 0.8764 3085397 TimTec1_003957 CC1(C)CC(=O)C(=CNc2ncnc3[nH]cnc23)C(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D20 compound treatment 0.239 -0.0125 -0.46 0.239 -0.00897 -0.41 -0.6187 -0.9981 1514121 TimTec1_003958 O=C(CCc1ccccc1)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D21 compound treatment 0.263 0.0115 0.43 0.26 0.012 0.55 0.6924 0.9923 3211834 TimTec1_003959 OCCNc1ccn(c2nc(sc2c3ccccc3)c4ccccc4)c(=O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D22 compound treatment 0.251 -4.84E-4 -0.02 0.248 3.23E-5 0.0 -0.0117 -0.6469 1914384 TimTec1_003960 Cc1ccc(CCSCC(=O)O)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D23 mock treatment 0.257 0.00552 0.21 0.257 0.00903 0.41 0.4375 0.9477 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 D24 mock treatment 0.252 5.16E-4 0.02 0.241 -0.00697 -0.32 -0.212 -0.6634 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E01 compound treatment 0.274 0.0225 0.84 0.271 0.023 1.05 1.3379 0.9935 1410817 TimTec1_003961 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OCC(O)CN4CCCCCC4)cc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E02 compound treatment 0.26 0.00852 0.32 0.259 0.011 0.51 0.5812 0.9747 3085400 TimTec1_003962 CC(C)c1ccc(cc1)C2C(=C(C)Nc3nc4ccccc4n23)C(=O)Nc5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E03 compound treatment 0.291 0.0395 1.47 0.291 0.043 1.97 2.4325 0.9896 1389044 TimTec1_003963 Cc1ccc(o1)C(=O)Nc2sc3CCCCc3c2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E04 compound treatment 0.25 -0.00148 -0.06 0.249 0.00103 0.05 -0.0056 -0.0772 3084361 TimTec1_003964 Brc1cccc(c1)c2n[nH]c(=S)[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E05 compound treatment 0.256 0.00452 0.17 0.253 0.00503 0.23 0.2817 0.9879 3211835 TimTec1_003965 O=C(NCCOc1ccccc1)c2ccc(=O)[nH]c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E06 compound treatment 0.281 0.0295 1.1 0.279 0.031 1.42 1.781 0.9919 3084365 TimTec1_003966 S=C(NCc1ccccc1)Nc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E07 compound treatment 0.241 -0.0105 -0.39 0.243 -0.00497 -0.23 -0.4366 -0.9671 1680390 TimTec1_003967 CN1CCN(CC1)c2ncnc3sc(C)c(c4ccccc4)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E08 compound treatment 0.263 0.0115 0.43 0.26 0.012 0.55 0.6924 0.9923 1123501 TimTec1_003968 COC(C(=O)NCc1ccc(OC)cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E09 compound treatment 0.264 0.0125 0.47 0.271 0.023 1.05 1.0749 0.9324 3211836 TimTec1_003969 Clc1ccc(NC(=O)N(Cc2ccccc2)Cc3ccccc3)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E10 compound treatment 0.243 -0.00848 -0.32 0.242 -0.00597 -0.27 -0.4163 -0.9974 1804050 TimTec1_003970 CC(SCc1ccccc1)C(=O)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E11 compound treatment 0.258 0.00652 0.24 0.256 0.00803 0.37 0.4314 0.9795 1707898 TimTec1_003971 Cc1ccc(o1)C(O)c2nccn2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E12 compound treatment 0.268 0.0165 0.61 0.267 0.019 0.87 1.0506 0.9854 3211977 TimTec1_003972 CCc1c(C)sc(NC(=O)CCCC(=O)O)c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E13 compound treatment 0.31 0.0585 2.18 0.313 0.065 2.98 3.6445 0.9881 1707943 TimTec1_003973 CCOc1ccc(NC(=O)CCC(=O)n2nc(cc2c3ccccc3)c4ccccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E14 compound treatment 0.276 0.0245 0.91 0.274 0.026 1.19 1.4876 0.9913 3211915 TimTec1_003974 Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Sc4nnc[nH]4)n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E15 compound treatment 0.273 0.0215 0.8 0.268 0.02 0.92 1.2145 0.9977 1558319 TimTec1_003975 Brc1c(OCC(=O)NC2CCCCC2)ccc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E16 compound treatment 0.259 0.00752 0.28 0.26 0.012 0.55 0.5872 0.9505 3084371 TimTec1_003976 O=S(=O)(Nc1cccc(c1)C2OCCCO2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E17 compound treatment 0.274 0.0225 0.84 0.273 0.025 1.15 1.4026 0.9881 1490598 TimTec1_003977 Brc1ccccc1NC(=O)c2ccccc2Oc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E18 compound treatment 0.253 0.00152 0.06 0.252 0.00403 0.18 0.1704 0.8828 1419531 TimTec1_003978 CC1(C)CC(CCO1)n2c(NCCO)nc3-c4ccccc4CC5(CCCCC5)c3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E19 compound treatment 0.255 0.00352 0.13 0.253 0.00503 0.23 0.2554 0.964 3084373 TimTec1_003979 O=C(NC(Cc1ccccc1)C(=O)N2CCCCC2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E20 compound treatment 0.259 0.00752 0.28 0.261 0.013 0.6 0.6196 0.9403 3211916 TimTec1_003980 CC1CN(C2CC(O)C(CO)O2)C(=O)NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E21 compound treatment 0.254 0.00252 0.09 0.254 0.00603 0.28 0.2615 0.8966 1203573 TimTec1_003981 O=C1CC2CS(=O)(=O)CC2N1c3ccc(Oc4ccccc4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E22 compound treatment 0.235 -0.0165 -0.61 0.234 -0.014 -0.64 -0.8858 -0.9998 3211917 TimTec1_003982 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccncc2)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E23 mock treatment 0.254 0.00252 0.09 0.255 0.00703 0.32 0.2939 0.8764 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 E24 mock treatment 0.255 0.00352 0.13 0.25 0.00203 0.09 0.1583 0.9861 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F01 compound treatment 0.239 -0.0125 -0.46 0.252 0.00403 0.18 -0.1978 -0.3958 1780915 TimTec1_003983 OCC1OC(Nc2ccc(cc2)C(=O)O)C(O)C1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F02 compound treatment 0.51 0.259 9.62 0.488 0.24 10.99 14.5706 0.9978 3211918 TimTec1_003984 CN1CCN(CC1)c2nsc(NO)c2Nc3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F03 compound treatment 0.265 0.0135 0.5 0.258 0.01 0.46 0.6803 0.999 1313296 TimTec1_003985 Oc1ccccc1C(=O)c2cnn(c2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F04 compound treatment 1.518 1.27 47.11 1.511 1.26 57.83 74.2029 0.9948 3211919 TimTec1_003986 COc1cc(/C=C\2/SC(=S)N(NC(=O)C)C2=O)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F05 compound treatment 0.297 0.0455 1.69 0.296 0.048 2.2 2.7522 0.9916 3211920 TimTec1_003987 CN(C)c1ccc2N=c3cc(C)c(N)cc3=Sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F06 compound treatment 0.268 0.0165 0.61 0.27 0.022 1.01 1.1477 0.9717 3084378 TimTec1_003988 COc1cc(O)c(C(=O)Cc2ccc(Cl)cc2)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F07 compound treatment 0.262 0.0105 0.39 0.262 0.014 0.64 0.7309 0.9717 3211921 TimTec1_003989 CCOC(=O)NC(=S)N1CCN(CC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F08 compound treatment 0.3 0.0485 1.8 0.286 0.038 1.74 2.5074 0.9998 3084380 TimTec1_003990 Cc1cc(c(C#N)c(SCC(=O)c2ccccc2)n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F09 compound treatment 0.291 0.0395 1.47 0.291 0.043 1.97 2.4325 0.9896 3211922 TimTec1_003991 Fc1ccc(/C=N/N2C(=O)CN(C2=S)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F10 compound treatment 0.251 -4.84E-4 -0.02 0.251 0.00303 0.14 0.0854 0.6103 3084382 TimTec1_003992 Cc1cc(C(=O)Nc2ccccc2)c(o1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F11 compound treatment 0.308 0.0565 2.1 0.295 0.047 2.15 3.0092 0.9999 3084969 TimTec1_003993 CCN(CC)C1=N/C(=C/c2ccccc2)/C(=O)N1c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F12 compound treatment 0.264 0.0125 0.47 0.258 0.01 0.46 0.654 1.0 3211923 TimTec1_003994 Brc1ccc(cc1)C(=O)NCCOc2ccccc2Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F13 compound treatment 0.295 0.0435 1.62 0.297 0.049 2.25 2.732 0.9871 3084971 TimTec1_003995 Oc1cc(O)c2sc3nc(cc(c3c2n1)C(F)(F)F)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F14 compound treatment 0.255 0.00352 0.13 0.254 0.00603 0.28 0.2878 0.9417 1360453 TimTec1_003996 Cc1ccc(CCC2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F15 compound treatment 0.286 0.0345 1.28 0.279 0.031 1.42 1.9125 0.9987 3084973 TimTec1_003997 CSc1oc(nc1S(=O)(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F16 compound treatment 0.269 0.0175 0.65 0.269 0.021 0.96 1.1416 0.9819 1588811 TimTec1_003998 CNC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F17 compound treatment 0.289 0.0375 1.4 0.291 0.043 1.97 2.3799 0.9857 3211924 TimTec1_003999 CCOc1ccc(cc1)C(C)(C)C(=O)NN2C(=O)/C(=C/c3ccccn3)/N=C2c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F18 compound treatment 0.264 0.0125 0.47 0.26 0.012 0.55 0.7187 0.9965 3084976 TimTec1_004000 COc1ccc(/C=N/c2nc3ccc(Br)cc3s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F19 compound treatment 0.251 -4.84E-4 -0.02 0.252 0.00403 0.18 0.1178 0.6352 1627471 TimTec1_004001 O=S(=O)(NCc1ccncc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F20 compound treatment 0.26 0.00852 0.32 0.26 0.012 0.55 0.6135 0.9655 1030019 TimTec1_004002 CN(C)C(=O)c1ccccc1C(=O)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F21 compound treatment 0.263 0.0115 0.43 0.263 0.015 0.69 0.7896 0.974 3084978 TimTec1_004003 N#Cc1nc(oc1NCCCN2CCOCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F22 compound treatment 0.284 0.0325 1.21 0.283 0.035 1.6 1.9894 0.9903 1252023 TimTec1_004004 Cc1cccc(NC(=O)C2C3CCC=CCCC23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F23 mock treatment 0.258 0.00652 0.24 0.259 0.011 0.51 0.5286 0.9434 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 F24 mock treatment 0.26 0.00852 0.32 0.258 0.01 0.46 0.5488 0.9835 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G01 compound treatment 0.247 -0.00448 -0.17 0.245 -0.00297 -0.14 -0.214 -0.9948 1401883 TimTec1_004005 Cc1c(C)c2ccccc2n1CC(O)CNCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G02 compound treatment 0.257 0.00552 0.21 0.26 0.012 0.55 0.5346 0.9094 3084981 TimTec1_004006 O=C1OCc2cc(ccc12)n3cnnn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G03 compound treatment 0.256 0.00452 0.17 0.254 0.00603 0.28 0.3141 0.9716 3211925 TimTec1_004007 Cc1sc2ncnc(N3CCN(CC3)c4cccc(c4)C(F)(F)F)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G04 compound treatment 0.265 0.0135 0.5 0.267 0.019 0.87 0.9717 0.9658 1527185 TimTec1_004008 COc1ccccc1c2cc(=O)c3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G05 compound treatment 0.297 0.0455 1.69 0.287 0.039 1.79 2.4608 0.9996 1639456 TimTec1_004009 Oc1ccccc1C(Nc2ccccn2)c3ccc4cccnc4c3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G06 compound treatment 0.258 0.00652 0.24 0.257 0.00903 0.41 0.4638 0.9676 1650064 TimTec1_004010 Oc1ccccc1C(=O)NCCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G07 compound treatment 0.243 -0.00848 -0.32 0.244 -0.00397 -0.18 -0.3516 -0.9656 1085927 TimTec1_004011 CC1CCCCN1C(=O)Nc2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G08 compound treatment 0.273 0.0215 0.8 0.268 0.02 0.92 1.2145 0.9977 3085053 TimTec1_004012 O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c3ccc(CSc4ccccc4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G09 compound treatment 0.284 0.0325 1.21 0.285 0.037 1.7 2.0542 0.9863 1516181 TimTec1_004013 C1CN(CC1c2ccccc2)c3nc(cs3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G10 compound treatment 0.258 0.00652 0.24 0.26 0.012 0.55 0.5609 0.932 3211926 TimTec1_004014 OC(=O)c1ccccc1NC(=O)CCSc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G11 compound treatment 0.254 0.00252 0.09 0.258 0.01 0.46 0.391 0.834 1741292 TimTec1_004015 CCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G12 compound treatment 0.273 0.0215 0.8 0.273 0.025 1.15 1.3763 0.9846 3211927 TimTec1_004016 C1CN(CCO1)c2ccc(/N=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G13 compound treatment 0.279 0.0275 1.02 0.277 0.029 1.33 1.6637 0.9917 1267880 TimTec1_004017 COC(=O)c1c(NC(=O)c2ccccc2)sc3CCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G14 compound treatment 0.26 0.00852 0.32 0.257 0.00903 0.41 0.5164 0.9913 3211928 TimTec1_004018 OC(=O)/C(=C\c1ccco1)/NC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G15 compound treatment 0.251 -4.84E-4 -0.02 0.249 0.00103 0.05 0.0207 0.4092 1175724 TimTec1_004019 Cc1ccc(NC(=O)c2ccco2)cc1F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G16 compound treatment 0.253 0.00152 0.06 0.252 0.00403 0.18 0.1704 0.8828 3211929 TimTec1_004020 Cc1ccc(NCC(=O)SCc2csc(Nc3ccccc3)n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G17 compound treatment 0.263 0.0115 0.43 0.267 0.019 0.87 0.9191 0.9465 3085059 TimTec1_004021 COc1ccccc1c2nnc(o2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G18 compound treatment 0.289 0.0375 1.4 0.299 0.051 2.34 2.6389 0.9696 3211930 TimTec1_004022 CCOc1ccc(cc1c2nc(=O)c3n(C)nc(c3[nH]2)C(C)(C)C)S(=O)(=O)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G19 compound treatment 0.25 -0.00148 -0.06 0.25 0.00203 0.09 0.0268 0.2474 3211931 TimTec1_004023 CC(C)CSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G20 compound treatment 0.261 0.00952 0.35 0.26 0.012 0.55 0.6398 0.9771 907315 TimTec1_004024 CCc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G21 compound treatment 0.254 0.00252 0.09 0.252 0.00403 0.18 0.1967 0.9504 1121708 TimTec1_004025 COc1cccc(NC(=O)COc2ccccc2OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G22 compound treatment 0.259 0.00752 0.28 0.259 0.011 0.51 0.5549 0.9611 1216245 TimTec1_004026 Fc1ccc(cc1)S(=O)(=O)N(CC(=O)NCC2CCCO2)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G23 mock treatment 0.253 0.00152 0.06 0.256 0.00803 0.37 0.2999 0.8061 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 G24 mock treatment 0.254 0.00252 0.09 0.247 -9.68E-4 -0.04 0.0348 0.3365 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H01 compound treatment 0.26 0.00852 0.32 0.247 -9.68E-4 -0.04 0.1926 0.6023 1279518 TimTec1_004027 Nc1cnn(C2OC(COC(=O)c3ccccc3)C(O)C2O)c(=O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H02 compound treatment 0.26 0.00852 0.32 0.26 0.012 0.55 0.6135 0.9655 3211932 TimTec1_004028 Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=N)Nc3nncc(C)n3)cc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H03 compound treatment 0.336 0.0845 3.14 0.343 0.095 4.35 5.2996 0.9873 1187682 TimTec1_004029 COc1ccc(cc1)c2cc(CC(C)C)nc(N)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H04 compound treatment 0.282 0.0305 1.14 0.278 0.03 1.38 1.7749 0.9955 1408114 TimTec1_004030 CCc1ccccc1NC(=O)C(Cc2ccccc2)N3C(=O)c4ccccc4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H05 compound treatment 0.254 0.00252 0.09 0.257 0.00903 0.41 0.3586 0.8457 3211978 TimTec1_004031 CN(C)c1ccc(CCNC(=O)c2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H06 compound treatment 0.301 0.0495 1.84 0.279 0.031 1.42 2.307 0.9918 3085065 TimTec1_004032 COc1cccc(c1)c2cc(=O)c3ccc(O)cc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H07 compound treatment 0.255 0.00352 0.13 0.255 0.00703 0.32 0.3202 0.9212 3211979 TimTec1_004033 C1CN(CCO1)/C(=N\c2ccccc2)/Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H08 compound treatment 0.347 0.0955 3.55 0.341 0.093 4.26 5.5242 0.9959 3211980 TimTec1_004034 FC(F)(F)c1cc(nc(SCC(=O)c2ccccc2)c1C#N)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H09 compound treatment 0.261 0.00952 0.35 0.263 0.015 0.69 0.737 0.9522 3085068 TimTec1_004035 CC(=O)Nc1ccc(/N=C/c2c[nH]c3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H10 compound treatment 0.27 0.0185 0.69 0.263 0.015 0.69 0.9737 1.0 3211981 TimTec1_004036 Cc1cc(nc2sc(C(=O)Nc3ccc(cc3)C(=O)N)c(N)c12)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H11 compound treatment 0.254 0.00252 0.09 0.255 0.00703 0.32 0.2939 0.8764 3085069 TimTec1_004037 OCC1OC(Oc2cccc(O)c2CCCc3ccc(O)cc3)C(O)C(O)C1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H12 compound treatment 0.256 0.00452 0.17 0.256 0.00803 0.37 0.3788 0.937 1309367 TimTec1_004038 O=C(N1CCOCC1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H13 compound treatment 0.3 0.0485 1.8 0.29 0.042 1.92 2.6369 0.9995 1455904 TimTec1_004039 CCc1nc2sc(C#N)c(N)c2cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H14 compound treatment 0.252 5.16E-4 0.02 0.256 0.00803 0.37 0.2736 0.743 1365090 TimTec1_004040 NC(=O)c1ccc(cc1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H15 compound treatment 0.273 0.0215 0.8 0.27 0.022 1.01 1.2792 0.9934 1421754 TimTec1_004041 COc1ccc(NCn2c3ccccc3c4ccccc24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H16 compound treatment 0.261 0.00952 0.35 0.26 0.012 0.55 0.6398 0.9771 1486169 TimTec1_004042 Cc1ccc2N3CCN(C(CCCC(=O)c2c1)C3=O)C(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H17 compound treatment 0.287 0.0355 1.32 0.286 0.038 1.74 2.1655 0.9907 3211982 TimTec1_004043 Cc1ccc(cc1)C2=NNC3(S2)C(=O)Nc4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H18 compound treatment 0.254 0.00252 0.09 0.258 0.01 0.46 0.391 0.834 3085139 TimTec1_004044 Cc1ccc2nc(/N=C/c3ccc(Cl)cc3Cl)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H19 compound treatment 0.263 0.0115 0.43 0.262 0.014 0.64 0.7572 0.9806 3211983 TimTec1_004045 CCn1nc(C)c(/N=C/c2ccc(N(C)C)c(Br)c2)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H20 compound treatment 0.252 5.16E-4 0.02 0.251 0.00303 0.14 0.1117 0.7973 1009941 TimTec1_004046 CC(=O)OC(C(=O)c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H21 compound treatment 0.248 -0.00348 -0.13 0.251 0.00303 0.14 0.0065 0.0345 1132941 TimTec1_004047 CC1(C)CC(CC(C)(C)N1)N2CCC(O)(C(C2)C(=O)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H22 compound treatment 0.263 0.0115 0.43 0.262 0.014 0.64 0.7572 0.9806 3085143 TimTec1_004048 Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H23 mock treatment 0.264 0.0125 0.47 0.263 0.015 0.69 0.8159 0.9819 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 H24 mock treatment 0.249 -0.00248 -0.09 0.246 -0.00197 -0.09 -0.129 -0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I01 compound treatment 0.26 0.00852 0.32 0.254 0.00603 0.28 0.4193 0.9977 1679534 TimTec1_004049 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)Nc4[nH]c(=O)[nH]c(=O)c24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I02 compound treatment 0.286 0.0345 1.28 0.278 0.03 1.38 1.8801 0.9994 3085145 TimTec1_004050 CN(C)c1nc(N)nc(COc2ccc(C)c(C)c2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I03 compound treatment 0.251 -4.84E-4 -0.02 0.253 0.00503 0.23 0.1502 0.6499 1257756 TimTec1_004051 O=c1ccc2ccc(Oc3nc(nc4ccccc34)c5cccnc5)cc2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I04 compound treatment 0.258 0.00652 0.24 0.257 0.00903 0.41 0.4638 0.9676 1524978 TimTec1_004052 CCS(=O)(=O)N(CC(=O)N1CCCC1)c2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I05 compound treatment 0.264 0.0125 0.47 0.261 0.013 0.6 0.7511 0.9925 3211984 TimTec1_004053 FC(F)(F)c1cccc(Nc2ncnc3sc4CCCc4c23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I06 compound treatment 0.261 0.00952 0.35 0.26 0.012 0.55 0.6398 0.9771 1023730 TimTec1_004054 NC(=N)SCc1ccc(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I07 compound treatment 0.276 0.0245 0.91 0.274 0.026 1.19 1.4876 0.9913 3211985 TimTec1_004055 CC1CCCC(C)N1C(=O)Nc2ccc(Cl)c(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I08 compound treatment 0.338 0.0865 3.22 0.347 0.099 4.53 5.4818 0.9859 3085148 TimTec1_004056 CCN(CC)c1ccc(/C=C/C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I09 compound treatment 0.26 0.00852 0.32 0.259 0.011 0.51 0.5812 0.9747 3211986 TimTec1_004057 Cn1c(NC(=O)c2cc(F)c(F)cc2Cl)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I10 compound treatment 0.263 0.0115 0.43 0.266 0.018 0.83 0.8867 0.9533 1379820 TimTec1_004058 CCOC(=O)CC(N)c1cccc(O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I11 compound treatment 0.263 0.0115 0.43 0.26 0.012 0.55 0.6924 0.9923 3211987 TimTec1_004059 Cc1ccc(CCC(=O)O)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I12 compound treatment 0.279 0.0275 1.02 0.28 0.032 1.47 1.7608 0.9845 3085152 TimTec1_004060 COc1ccc(/N=C/c2cccn2c3ccc(Br)cc3)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I13 compound treatment 0.287 0.0355 1.32 0.288 0.04 1.83 2.2302 0.9871 3211988 TimTec1_004061 NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I14 compound treatment 0.252 5.16E-4 0.02 0.253 0.00503 0.23 0.1765 0.7634 1519495 TimTec1_004062 CC1(C)CC(C)(c2ccccc2)c3ccccc3N1C(=O)CSc4nnc[nH]4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I15 compound treatment 0.257 0.00552 0.21 0.256 0.00803 0.37 0.4051 0.962 1570543 TimTec1_004063 CCOc1ccc(NCC(=O)n2nc(C)cc2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I16 compound treatment 0.267 0.0155 0.58 0.267 0.019 0.87 1.0243 0.98 3211989 TimTec1_004064 Cc1ccc(SCCNC(=O)c2ccc3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I17 compound treatment 0.264 0.0125 0.47 0.266 0.018 0.83 0.913 0.9632 1040036 TimTec1_004065 OCC1OC(C(O)C1O)n2cnc3cncnc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I18 compound treatment 0.332 0.0805 2.99 0.337 0.089 4.08 5.0002 0.9885 3085155 TimTec1_004066 S=C(NCc1ccco1)Nc2ccc3nc(c4ccccn4)c(nc3c2)c5ccccn5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I19 compound treatment 0.262 0.0105 0.39 0.26 0.012 0.55 0.6661 0.9859 3211990 TimTec1_004067 OC(Cc1c[nH]c2ccccc12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I20 compound treatment 0.267 0.0155 0.58 0.268 0.02 0.92 1.0567 0.9751 3551456 TimTec1_004068 CN(C)c1ncnc2n(cnc12)C3OC(CO)C(N)C3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I21 compound treatment 0.254 0.00252 0.09 0.255 0.00703 0.32 0.2939 0.8764 1678356 TimTec1_004069 COc1ccc(cc1OC)c2n[nH]c(=S)n2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I22 compound treatment 0.301 0.0495 1.84 0.302 0.054 2.47 3.0517 0.9894 1862685 TimTec1_004070 Fc1cccc(NC(=O)c2cccc(c2)c3cc4ccccc4oc3=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I23 mock treatment 0.261 0.00952 0.35 0.26 0.012 0.55 0.6398 0.9771 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 I24 mock treatment 0.256 0.00452 0.17 0.233 -0.015 -0.69 -0.3658 -0.5184 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J01 compound treatment 0.254 0.00252 0.09 0.243 -0.00497 -0.23 -0.0947 -0.3849 1494538 TimTec1_004071 OC1C(COC(=O)c2ccccc2)OC3C1Oc4nc(=O)ccn34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J02 compound treatment 0.255 0.00352 0.13 0.256 0.00803 0.37 0.3525 0.9032 3085226 TimTec1_004072 Cc1cc(/C=N/c2ccc(cc2)N3CCOCC3)c(C)n1c4ccc(cc4C)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J03 compound treatment 0.258 0.00652 0.24 0.255 0.00703 0.32 0.3991 0.9902 3211991 TimTec1_004073 COC(OC)C1(C)NC(=O)c2ccccc2N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J04 compound treatment 0.265 0.0135 0.5 0.263 0.015 0.69 0.8422 0.9881 3211992 TimTec1_004074 CC1=CCC2C(C)(C)[C@@H](O)CCC2(C)C1COc3ccc4ccc(=O)oc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J05 compound treatment 0.283 0.0315 1.17 0.269 0.021 0.96 1.5098 0.9952 3085228 TimTec1_004075 O=C(COc1ccc2ccccc2c1)Nc3ccc(Cc4ccccn4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J06 compound treatment 0.262 0.0105 0.39 0.261 0.013 0.6 0.6985 0.979 3211993 TimTec1_004076 C[C@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J07 compound treatment 0.256 0.00452 0.17 0.255 0.00703 0.32 0.3465 0.954 3085230 TimTec1_004077 OCC1(CO)COC(=N1)COc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J08 compound treatment 0.255 0.00352 0.13 0.257 0.00903 0.41 0.3849 0.8874 3211994 TimTec1_004078 Cc1cc(C)c(C#N)c(SCC(=O)C2CC2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J09 compound treatment 0.303 0.0515 1.92 0.29 0.042 1.92 2.7158 1.0 1375364 TimTec1_004079 O=C1CC(Nc2ccc(cc2)N3CCOCC3)C(=O)N1c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J10 compound treatment 0.255 0.00352 0.13 0.254 0.00603 0.28 0.2878 0.9417 1019637 TimTec1_004080 CN(C)c1nc2cc(Cl)ccc2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J11 compound treatment 0.276 0.0245 0.91 0.272 0.024 1.1 1.4229 0.9956 3211995 TimTec1_004081 Oc1ccc(cc1)C(=O)NN2C(SCC2=O)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J12 compound treatment 0.341 0.0895 3.33 0.348 0.1 4.58 5.593 0.9877 3211996 TimTec1_004082 COc1ccc(/C=C/2\C(=O)N(C(c3ccc(F)cc3)S2(=O)=O)c4ccc(Cl)cc4)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J13 compound treatment 0.269 0.0175 0.65 0.27 0.022 1.01 1.174 0.9776 1535419 TimTec1_004083 OC(COc1ccc(cc1)C(=O)c2ccccc2)CN3C(=O)c4ccccc4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J14 compound treatment 0.255 0.00352 0.13 0.255 0.00703 0.32 0.3202 0.9212 1646040 TimTec1_004084 CCOC(=O)C1=C(C)NC(=O)NC1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J15 compound treatment 0.255 0.00352 0.13 0.254 0.00603 0.28 0.2878 0.9417 1413879 TimTec1_004085 Ic1ccc2nc(c3ccccc3)n(NC(=S)NCC=C)c(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J16 compound treatment 0.284 0.0325 1.21 0.282 0.034 1.56 1.957 0.9922 1498022 TimTec1_004086 O=C1C2C(C(C=CC2c3ccccc3)c4ccccc4)C(=O)N1Cc5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J17 compound treatment 0.256 0.00452 0.17 0.259 0.011 0.51 0.476 0.8941 1546528 TimTec1_004087 CCC(=O)N(C(=O)CC)c1cc2oc3ccccc3c2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J18 compound treatment 0.291 0.0395 1.47 0.289 0.041 1.88 2.3678 0.9926 3211997 TimTec1_004088 COc1ccc(/C=N/c2nc3c(ccc4ccccc34)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J19 compound treatment 0.269 0.0175 0.65 0.271 0.023 1.05 1.2064 0.9732 3085236 TimTec1_004089 OCc1coc(O)c(CN2CCCCC2)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J20 compound treatment 0.258 0.00652 0.24 0.257 0.00903 0.41 0.4638 0.9676 1049537 TimTec1_004090 OCCNC(=O)c1ccc(cc1)C(=O)NCCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J21 compound treatment 0.249 -0.00248 -0.09 0.248 3.23E-5 0.0 -0.0643 -0.6957 3085238 TimTec1_004091 O=c1[nH]cnc2ccc(NC(=S)NC3CC3)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J22 compound treatment 0.264 0.0125 0.47 0.264 0.016 0.73 0.8483 0.9758 1129244 TimTec1_004092 Brc1ccc2[nH]c3C(CCCc3c2c1)NCc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J23 mock treatment 0.256 0.00452 0.17 0.255 0.00703 0.32 0.3465 0.954 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 J24 mock treatment 0.252 5.16E-4 0.02 0.247 -9.68E-4 -0.04 -0.0178 -0.3677 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K01 compound treatment 0.253 0.00152 0.06 0.245 -0.00297 -0.14 -0.0562 -0.3821 3085240 TimTec1_004093 Cc1ccc(Cl)c(c1)C(=O)NC2=CC(=O)CC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K02 compound treatment 0.249 -0.00248 -0.09 0.247 -9.68E-4 -0.04 -0.0967 -0.9434 3212056 TimTec1_004094 COC(OC)C1Nc2ccccc2C(=O)N1c3cccc(c3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K03 compound treatment 0.274 0.0225 0.84 0.269 0.021 0.96 1.2731 0.9976 1870332 TimTec1_004095 COc1ccc(cc1)c2cc(c3ccccc3O)n(n2)C4C(=O)Nc5ccc(Br)cc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K04 compound treatment 0.253 0.00152 0.06 0.252 0.00403 0.18 0.1704 0.8828 3085242 TimTec1_004096 CC(C)(C)NC(=S)NCc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K05 compound treatment 0.259 0.00752 0.28 0.255 0.00703 0.32 0.4254 0.9975 1547474 TimTec1_004097 CN1CCN(CC1)C(c2ccncc2)c3ccc4cccnc4c3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K06 compound treatment 0.264 0.0125 0.47 0.264 0.016 0.73 0.8483 0.9758 1031437 TimTec1_004098 COc1cc(CC=C)ccc1OCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K07 compound treatment 0.253 0.00152 0.06 0.255 0.00703 0.32 0.2676 0.8185 3212057 TimTec1_004099 FC(F)(F)c1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K08 compound treatment 0.543 0.292 10.84 0.539 0.291 13.33 17.0897 0.9948 3085313 TimTec1_004100 O=C1CC(N(N=C1C#N)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K09 compound treatment 0.262 0.0105 0.39 0.262 0.014 0.64 0.7309 0.9717 1194194 TimTec1_004101 O=C(CCC(=O)Nc1cccc2ccccc12)Nc3cccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K10 compound treatment 0.263 0.0115 0.43 0.262 0.014 0.64 0.7572 0.9806 3085314 TimTec1_004102 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2C1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K11 compound treatment 0.296 0.0445 1.66 0.295 0.047 2.15 2.6935 0.9916 3212058 TimTec1_004103 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)O)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K12 compound treatment 0.249 -0.00248 -0.09 0.247 -9.68E-4 -0.04 -0.0967 -0.9434 3212059 TimTec1_004104 Cc1cccc(OCCNC(=O)c2cccnc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K13 compound treatment 0.312 0.0605 2.25 0.308 0.06 2.75 3.5353 0.9951 1300948 TimTec1_004105 COC(=O)c1c(NC(=O)C)sc2CCCc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K14 compound treatment 0.253 0.00152 0.06 0.257 0.00903 0.41 0.3323 0.7962 3085318 TimTec1_004106 CCN(CC)C(=O)c1nn(C)c(=O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K15 compound treatment 0.268 0.0165 0.61 0.265 0.017 0.78 0.9858 0.993 1423050 TimTec1_004107 CS(=O)(=O)N(Cc1ccccc1)c2ccccc2C(=O)Nc3cccc(Br)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K16 compound treatment 0.26 0.00852 0.32 0.262 0.014 0.64 0.6783 0.9469 3212060 TimTec1_004108 OCCCc1nnc(SC(=O)O)n1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K17 compound treatment 0.265 0.0135 0.5 0.267 0.019 0.87 0.9717 0.9658 3085320 TimTec1_004109 Cc1cc(C)n(n1)C(=O)CSc2ccc(cc2)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K18 compound treatment 0.259 0.00752 0.28 0.258 0.01 0.46 0.5225 0.9717 3212061 TimTec1_004110 Fc1ccc(cc1)S(=O)(=O)Nc2nonc2NS(=O)(=O)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K19 compound treatment 0.261 0.00952 0.35 0.261 0.013 0.6 0.6722 0.9689 3085322 TimTec1_004111 CC1(C)[C@H]2CCC1(CS(=O)(=O)N(C3CCCCC3)C4CCCCC4)C(O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K20 compound treatment 0.375 0.124 4.59 0.413 0.165 7.56 8.5917 0.9715 3212062 TimTec1_004112 COC(=O)C/1=C(C)NC(=O)\C1=C/c2ccc(cc2)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K21 compound treatment 0.28 0.0285 1.06 0.279 0.031 1.42 1.7547 0.9896 1494618 TimTec1_004113 COc1ccccc1C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc(C)cc4C)sc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K22 compound treatment 0.253 0.00152 0.06 0.255 0.00703 0.32 0.2676 0.8185 1021964 TimTec1_004114 NCCc1ccc(cc1)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K23 mock treatment 0.261 0.00952 0.35 0.261 0.013 0.6 0.6722 0.9689 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 K24 mock treatment 0.254 0.00252 0.09 0.251 0.00303 0.14 0.1643 0.9816 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L01 compound treatment 0.318 0.0665 2.47 0.324 0.076 3.48 4.2111 0.986 1265817 TimTec1_004115 Cc1ccc(NC2OC(CO)C(O)C2O)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L02 compound treatment 0.255 0.00352 0.13 0.255 0.00703 0.32 0.3202 0.9212 3212063 TimTec1_004116 O=C(CSc1nnc(c2ccccc2)n1CCN3CCOCC3)NC4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L03 compound treatment 0.259 0.00752 0.28 0.257 0.00903 0.41 0.4901 0.9818 3085326 TimTec1_004117 Cc1cc(C(=O)O)c(CSCc2cc(oc2C)C(=O)O)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L04 compound treatment 0.263 0.0115 0.43 0.259 0.011 0.51 0.6601 0.9966 1576521 TimTec1_004118 COc1ccc(CN(CCCN)CCC2(CC(C)N(C)CC2C)c3ccccc3)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L05 compound treatment 0.298 0.0465 1.73 0.291 0.043 1.97 2.6166 0.9979 3212064 TimTec1_004119 CCCc1cc2OCOc2cc1NC(=O)C(C)(C)C(=O)Nc3cc4OCOc4cc3CCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L06 compound treatment 0.31 0.0585 2.18 0.313 0.065 2.98 3.6445 0.9881 3085328 TimTec1_004120 Oc1cccc(c1)c2cc(=O)c3cc(O)ccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L07 compound treatment 0.255 0.00352 0.13 0.256 0.00803 0.37 0.3525 0.9032 3085330 TimTec1_004121 Nc1cccc(c1)C2OCCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L08 compound treatment 0.286 0.0345 1.28 0.286 0.038 1.74 2.1392 0.9888 3212065 TimTec1_004122 Cc1cc(=O)[nH]c(SCC(=O)C2(CC3CC4CC(C3)C2)C4)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L09 compound treatment 0.254 0.00252 0.09 0.253 0.00503 0.23 0.2291 0.9212 1408553 TimTec1_004123 CC(C)NC(=O)C(Cc1ccccc1)N2C(=O)c3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L10 compound treatment 0.26 0.00852 0.32 0.258 0.01 0.46 0.5488 0.9835 3085403 TimTec1_004124 Cc1cc2COC(=O)c2c(Sc3ccccc3)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L11 compound treatment 0.259 0.00752 0.28 0.26 0.012 0.55 0.5872 0.9505 3212066 TimTec1_004125 O=C/1OC(=N\C1=C/2\OC(=O)c3ccccc23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L12 compound treatment 0.298 0.0465 1.73 0.305 0.057 2.61 3.0699 0.98 1563075 TimTec1_004126 O=C1CCCC2=C1C(Nc3ccc4ccccc4c23)c5cccnc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L13 compound treatment 0.303 0.0515 1.92 0.295 0.047 2.15 2.8777 0.9983 3085407 TimTec1_004127 Fc1ccc(C/N=C\c2cc3ccccc3nc2Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L14 compound treatment 0.265 0.0135 0.5 0.266 0.018 0.83 0.9393 0.9717 1705522 TimTec1_004128 Oc1ccc(cc1CN2CCN(CCC#N)CC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L15 compound treatment 0.252 5.16E-4 0.02 0.251 0.00303 0.14 0.1117 0.7973 3085409 TimTec1_004129 COc1cc(ccc1O)c2nc(S)nc(N)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L16 compound treatment 0.265 0.0135 0.5 0.264 0.016 0.73 0.8746 0.983 1136694 TimTec1_004130 Cc1cccc(NC(=O)CNC(=O)OCc2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L17 compound treatment 0.263 0.0115 0.43 0.262 0.014 0.64 0.7572 0.9806 1605978 TimTec1_004131 Cn1c(=O)c(c2cc(c3ccccc3C(=O)NN)n(n2)c4ccccc4)c(O)c5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L18 compound treatment 0.322 0.0705 2.62 0.333 0.085 3.89 4.6077 0.9815 3085412 TimTec1_004132 CCOc1ccc(cc1)[C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(=C(N)C2(C#N)C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L19 compound treatment 0.257 0.00552 0.21 0.254 0.00603 0.28 0.3404 0.9893 3212067 TimTec1_004133 C(NC1=NC=N2CCn3cnc1c23)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L20 compound treatment 0.265 0.0135 0.5 0.264 0.016 0.73 0.8746 0.983 1912645 TimTec1_004134 CC(=O)n1nc(C)cc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L21 compound treatment 0.254 0.00252 0.09 0.255 0.00703 0.32 0.2939 0.8764 3085414 TimTec1_004135 Sc1nnc(COc2ccccc2Cl)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L22 compound treatment 0.261 0.00952 0.35 0.26 0.012 0.55 0.6398 0.9771 1409212 TimTec1_004136 COc1ccccc1CNC(=O)COc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L23 mock treatment 0.258 0.00652 0.24 0.257 0.00903 0.41 0.4638 0.9676 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 L24 mock treatment 0.263 0.0115 0.43 0.25 0.00203 0.09 0.3687 0.8411 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M01 compound treatment 0.254 0.00252 0.09 0.258 0.01 0.46 0.391 0.834 1608236 TimTec1_004137 CC(C)c1ccc(cc1)c2csc3ncn(N)c(=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M02 compound treatment 0.266 0.0145 0.54 0.272 0.024 1.1 1.1599 0.9463 3212068 TimTec1_004138 Cn1c(=O)n(C)c2cc(CN3C(=O)c4ccccc4C3=O)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M03 compound treatment 0.256 0.00452 0.17 0.256 0.00803 0.37 0.3788 0.937 1233601 TimTec1_004139 Cc1nn(c2CC(CC(=O)c12)c3ccco3)c4ccccn4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M04 compound treatment 0.266 0.0145 0.54 0.268 0.02 0.92 1.0304 0.9681 1300398 TimTec1_004140 O=C(NC1CC1)c2ccc(CN(c3ccccc3)S(=O)(=O)c4ccccc4)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M05 compound treatment 0.259 0.00752 0.28 0.259 0.011 0.51 0.5549 0.9611 1190193 TimTec1_004141 Cc1[nH]c2ccccc2c1C(N3CCN(CC3)c4ccccc4)c5cccs5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M06 compound treatment 0.269 0.0175 0.65 0.264 0.016 0.73 0.9798 0.9982 1227000 TimTec1_004142 NNc1ccc2[nH]c(=O)[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M07 compound treatment 0.245 -0.00648 -0.24 0.249 0.00103 0.05 -0.1371 -0.5579 1560140 TimTec1_004143 Fc1ccc(Cn2cnc3ccccc3c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M08 compound treatment 0.26 0.00852 0.32 0.265 0.017 0.78 0.7754 0.9212 3212133 TimTec1_004144 CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C)C(=O)CO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M09 compound treatment 0.257 0.00552 0.21 0.255 0.00703 0.32 0.3728 0.9763 3085420 TimTec1_004145 Brc1ccc(o1)C(=O)Nc2ccc(C#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M10 compound treatment 0.259 0.00752 0.28 0.26 0.012 0.55 0.5872 0.9505 3212134 TimTec1_004146 CCC1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M11 compound treatment 0.25 -0.00148 -0.06 0.251 0.00303 0.14 0.0591 0.3959 3085422 TimTec1_004147 C[C@@H]1CC2(CCCN2Cc3ccccc3)C[C@H]1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M12 compound treatment 0.251 -4.84E-4 -0.02 0.254 0.00603 0.28 0.1826 0.6596 3085423 TimTec1_004148 O=C(NCCN1CCN=C1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M13 compound treatment 0.257 0.00552 0.21 0.26 0.012 0.55 0.5346 0.9094 1325497 TimTec1_004149 CCC(=O)Nc1ccccc1C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M14 compound treatment 0.303 0.0515 1.92 0.305 0.057 2.61 3.2014 0.9884 3085425 TimTec1_004150 O=c1cc(CSc2nc3ccccc3s2)c4ccccc4[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M15 compound treatment 0.255 0.00352 0.13 0.254 0.00603 0.28 0.2878 0.9417 1732529 TimTec1_004151 CC(C)NS(=O)(=O)c1ccc(NC(=O)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M16 compound treatment 0.258 0.00652 0.24 0.257 0.00903 0.41 0.4638 0.9676 1321742 TimTec1_004152 CC(C)(C)NC(=O)CSc1nc2ccccc2n1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M17 compound treatment 0.303 0.0515 1.92 0.298 0.05 2.29 2.9748 0.9961 3212135 TimTec1_004153 O=S(=O)(NCCCn1ccnc1)c2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M18 compound treatment 0.266 0.0145 0.54 0.266 0.018 0.83 0.9656 0.9788 3084387 TimTec1_004154 Cc1ccc(cc1S(=O)(=O)NC(C)(C)CO)c2nnc(N3CCOCC3)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M19 compound treatment 0.253 0.00152 0.06 0.257 0.00903 0.41 0.3323 0.7962 1026799 TimTec1_004155 OC(=O)c1ccc(Br)c(c1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M20 compound treatment 0.246 -0.00548 -0.2 0.246 -0.00197 -0.09 -0.2079 -0.9325 3212136 TimTec1_004156 OC(=O)c1ccc(cc1)N2N=C(/C(=C/c3ccc(o3)c4ccc5C(=O)NC(=O)c5c4)/C2=O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M21 compound treatment 0.262 0.0105 0.39 0.256 0.00803 0.37 0.5366 0.9995 3084389 TimTec1_004157 COc1ccc(cc1)C2CC(=O)Nc3cc4OCOc4cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M22 compound treatment 0.257 0.00552 0.21 0.257 0.00903 0.41 0.4375 0.9477 3069528 TimTec1_004158 C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M23 mock treatment 0.266 0.0145 0.54 0.254 0.00603 0.28 0.5771 0.9516 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 M24 mock treatment 0.251 -4.84E-4 -0.02 0.251 0.00303 0.14 0.0854 0.6103 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N01 compound treatment 0.254 0.00252 0.09 0.255 0.00703 0.32 0.2939 0.8764 3212137 TimTec1_004159 OCC1OC(CC1O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N02 compound treatment 0.311 0.0595 2.21 0.322 0.074 3.39 3.9622 0.9787 3212138 TimTec1_004160 CC/1=NNC(=O)\C1=C/c2cn(nc2c3ccc(F)cc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N03 compound treatment 0.257 0.00552 0.21 0.257 0.00903 0.41 0.4375 0.9477 3084392 TimTec1_004161 Cn1cnnc1c2ccc(N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N04 compound treatment 0.253 0.00152 0.06 0.255 0.00703 0.32 0.2676 0.8185 3084393 TimTec1_004162 CN(Cc1ccccc1)C(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N05 compound treatment 0.261 0.00952 0.35 0.262 0.014 0.64 0.7046 0.9605 3212139 TimTec1_004163 Cc1nc2ccc(NC(=O)C(C)(C)C(=O)Nc3ccc4nc(C)c(C)nc4c3)cc2nc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N06 compound treatment 0.254 0.00252 0.09 0.256 0.00803 0.37 0.3262 0.8596 3084395 TimTec1_004164 Cc1ccccc1OCc2nnc(S)n2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N07 compound treatment 0.545 0.294 10.92 0.55 0.302 13.83 17.4984 0.9931 3212140 TimTec1_004165 O=C(/C=C/c1cccs1)C(=C2SCCCCS2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N08 compound treatment 0.255 0.00352 0.13 0.255 0.00703 0.32 0.3202 0.9212 1485279 TimTec1_004166 CCOC(=O)C1=C(C)NC2(O)CC1C3COC2O3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N09 compound treatment 0.263 0.0115 0.43 0.258 0.01 0.46 0.6277 0.9994 1264107 TimTec1_004167 Cc1ccc(cc1)C2Nc3ccc4ccccc4c3C5=C2C(=O)CC(C)(C)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N10 compound treatment 0.25 -0.00148 -0.06 0.251 0.00303 0.14 0.0591 0.3959 1616817 TimTec1_004168 CCc1nc(SCC(=O)C(C)(C)C)c(C#N)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N11 compound treatment 0.26 0.00852 0.32 0.256 0.00803 0.37 0.484 0.9972 1253074 TimTec1_004169 O=C(NC(=S)NCc1ccco1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N12 compound treatment 0.306 0.0545 2.03 0.304 0.056 2.57 3.2479 0.9932 3084399 TimTec1_004170 Cc1[nH]c2ccccc2c1/C=N/c3c(nc4ccccn34)c5ccco5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N13 compound treatment 0.26 0.00852 0.32 0.262 0.014 0.64 0.6783 0.9469 1017704 TimTec1_004171 Nc1ncnc2[nH]c(nc12)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N14 compound treatment 0.247 -0.00448 -0.17 0.247 -9.68E-4 -0.04 -0.1493 -0.865 3212141 TimTec1_004172 CCOC(=O)c1sc(SC#N)c(c1N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N15 compound treatment 0.256 0.00452 0.17 0.253 0.00503 0.23 0.2817 0.9879 1004708 TimTec1_004173 COc1ccccc1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N16 compound treatment 0.257 0.00552 0.21 0.253 0.00503 0.23 0.308 0.9983 1222145 TimTec1_004174 CC(C)N1CC(COc2ccccc2)OC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N17 compound treatment 0.253 0.00152 0.06 0.252 0.00403 0.18 0.1704 0.8828 3084402 TimTec1_004175 Cc1cc(N)n(n1)c2ncnc3sc4CCCCc4c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N18 compound treatment 0.291 0.0395 1.47 0.285 0.037 1.7 2.2383 0.9975 1166305 TimTec1_004176 Cc1ccc(cc1S)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N19 compound treatment 0.284 0.0325 1.21 0.287 0.039 1.79 2.1189 0.9819 3212142 TimTec1_004177 Cc1nc2ccccc2nc1N/C(=N/C(=O)c3ccccc3)/N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N20 compound treatment 0.257 0.00552 0.21 0.256 0.00803 0.37 0.4051 0.962 1378550 TimTec1_004178 O=C1CCC(=O)N1CNc2ccc(cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N21 compound treatment 0.245 -0.00648 -0.24 0.247 -9.68E-4 -0.04 -0.2019 -0.8232 3212143 TimTec1_004179 Cc1nc2ccc(NC(=O)N3CC4(C)CC3CC(C)(C)C4)cc2nc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N22 compound treatment 0.253 0.00152 0.06 0.251 0.00303 0.14 0.138 0.9212 1205779 TimTec1_004180 NC(=O)c1cc2ccccc2oc1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N23 mock treatment 0.256 0.00452 0.17 0.256 0.00803 0.37 0.3788 0.937 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 N24 mock treatment 0.251 -4.84E-4 -0.02 0.242 -0.00597 -0.27 -0.2059 -0.7521 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O01 compound treatment 0.24 -0.0115 -0.43 0.236 -0.012 -0.55 -0.6895 -0.9924 1144219 TimTec1_004181 Cc1sc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1c5ccc(F)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O02 compound treatment 0.258 0.00652 0.24 0.256 0.00803 0.37 0.4314 0.9795 3084915 TimTec1_004182 COc1ccc(cc1OC)c2nnc(SC)n2CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O03 compound treatment 0.249 -0.00248 -0.09 0.246 -0.00197 -0.09 -0.129 -0.9999 1582942 TimTec1_004183 CC1=CCC(C(C1)c2ccc(Br)cc2)(C(=O)O)C(=O)NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O04 compound treatment 0.258 0.00652 0.24 0.254 0.00603 0.28 0.3667 0.9979 1277662 TimTec1_004184 COc1ccc(cc1)C(=O)NC2CCCCC2NC(=O)c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O05 compound treatment 0.266 0.0145 0.54 0.265 0.017 0.78 0.9332 0.9839 1305407 TimTec1_004185 Fc1ccc(cc1)c2csc3ncnc(Oc4ccc5ccc(=O)oc5c4)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O06 compound treatment 0.258 0.00652 0.24 0.255 0.00703 0.32 0.3991 0.9902 3212144 TimTec1_004186 OC(=O)c1cc(ccc1Cl)N2N=C(/C(=C/c3ccc(o3)c4ccccc4)/C2=O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O07 compound treatment 0.254 0.00252 0.09 0.254 0.00603 0.28 0.2615 0.8966 3084918 TimTec1_004187 COC(=O)c1nn(c(Br)c1C(=O)OC)c2ccc(Br)cc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O08 compound treatment 0.252 5.16E-4 0.02 0.253 0.00503 0.23 0.1765 0.7634 3084920 TimTec1_004188 COc1cc(Br)c(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O09 compound treatment 0.274 0.0225 0.84 0.265 0.017 0.78 1.1436 0.9994 1388832 TimTec1_004189 Clc1ccccc1C(=O)NC2CCCCC2NC(=O)c3ccccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O10 compound treatment 0.282 0.0305 1.14 0.283 0.035 1.6 1.9368 0.9857 1535096 TimTec1_004190 CC(C)c1ccc(cc1)C2C(=C(N)Oc3c2n(C(=O)C)c4ccccc34)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O11 compound treatment 0.284 0.0325 1.21 0.285 0.037 1.7 2.0542 0.9863 1851014 TimTec1_004191 COc1ccc2c(Cl)c(sc2c1)C(=O)Oc3ccccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O12 compound treatment 0.348 0.0965 3.59 0.339 0.091 4.17 5.4858 0.9972 1407017 TimTec1_004192 CCN(CC)c1ccc2c(c1)oc(=O)c3c(Cl)cc(=O)oc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O13 compound treatment 0.263 0.0115 0.43 0.259 0.011 0.51 0.6601 0.9966 1440352 TimTec1_004193 OC(=O)c1ccccc1C(=O)N2CCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O14 compound treatment 0.254 0.00252 0.09 0.254 0.00603 0.28 0.2615 0.8966 3084985 TimTec1_004194 COC(=O)Nc1ncc(CN2CCC(C)CC2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O15 compound treatment 0.282 0.0305 1.14 0.278 0.03 1.38 1.7749 0.9955 1441746 TimTec1_004195 O=C(Cc1ccccc1)NN(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O16 compound treatment 0.342 0.0905 3.37 0.346 0.098 4.49 5.5546 0.99 1247973 TimTec1_004196 CC1CCCCN1C(=O)c2ccccc2NS(=O)(=O)c3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O17 compound treatment 0.252 5.16E-4 0.02 0.253 0.00503 0.23 0.1765 0.7634 3084989 TimTec1_004197 CCOCC(O)CSc1nc(C)cc(C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O18 compound treatment 0.263 0.0115 0.43 0.262 0.014 0.64 0.7572 0.9806 1089162 TimTec1_004198 OCC1OC(C(O)C1O)n2ccc(NC(=O)c3ccccc3)nc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O19 compound treatment 0.257 0.00552 0.21 0.255 0.00703 0.32 0.3728 0.9763 3084991 TimTec1_004199 CC1(C)[C@H]2CCC1(CS(=O)(=O)N)C(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O20 compound treatment 0.273 0.0215 0.8 0.269 0.021 0.96 1.2468 0.9958 3212307 TimTec1_004200 OC(=O)c1cc(cc(c1)c2ccc(/C=N\c3ccc4[nH]c(=O)[nH]c4c3)o2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O21 compound treatment 0.261 0.00952 0.35 0.254 0.00603 0.28 0.4456 0.9925 3084993 TimTec1_004201 Clc1ccc(cc1)C2NC(=O)NC(=C2)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O22 compound treatment 0.25 -0.00148 -0.06 0.253 0.00503 0.23 0.1239 0.5229 1067834 TimTec1_004202 NCCC(c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O23 mock treatment 0.259 0.00752 0.28 0.256 0.00803 0.37 0.4577 0.9908 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 O24 mock treatment 0.248 -0.00348 -0.13 0.225 -0.023 -1.05 -0.8352 -0.7883 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P01 compound treatment 0.237 -0.0145 -0.54 0.223 -0.025 -1.14 -1.1893 -0.9411 3212216 TimTec1_004203 CC(C)(C)C1(O)CC2OC(=O)CC23C(=O)OC4OC(=O)C(O)C413 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P02 compound treatment 0.243 -0.00848 -0.32 0.232 -0.016 -0.73 -0.7401 -0.9294 1735319 TimTec1_004204 CCOC(=O)c1nn(c2ccc(Cl)cc2)c(=N)c3c(N)c(C#N)c(N)nc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P03 compound treatment 0.248 -0.00348 -0.13 0.245 -0.00297 -0.14 -0.1877 -0.9997 3212217 TimTec1_004205 COc1cc2C[C@@H]3N(C)CCc4c(N)c(OC)c(OC)c(-c2cc1OC)c34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P04 compound treatment 0.258 0.00652 0.24 0.281 0.033 1.51 1.2408 0.8101 3084996 TimTec1_004206 Oc1ccc2cc(c3cccc(Br)c3)c(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P05 compound treatment 0.286 0.0345 1.28 0.294 0.046 2.11 2.3982 0.9717 3212218 TimTec1_004207 Cc1ccc(cc1Cl)C(=O)NC2CS(=O)(=O)CC2NC(=O)c3ccc(C)c(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P06 compound treatment 0.251 -4.84E-4 -0.02 0.243 -0.00497 -0.23 -0.1736 -0.7607 1055533 TimTec1_004208 NC(=O)c1c(F)c(F)c(N)c(F)c1F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P07 compound treatment 0.65 0.399 14.82 0.701 0.453 20.74 25.1489 0.9864 3212219 TimTec1_004209 OC1=CC(O)(N(/N=C/2\C(=O)Nc3ccc(Br)cc23)C1=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P08 compound treatment 0.249 -0.00248 -0.09 0.248 3.23E-5 0.0 -0.0643 -0.6957 3084999 TimTec1_004210 CC/C(=N/O)/C(=O)c1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P09 compound treatment 0.246 -0.00548 -0.2 0.249 0.00103 0.05 -0.1108 -0.5292 1118292 TimTec1_004211 COc1ccc(NC(=O)CC(=O)c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P10 compound treatment 0.239 -0.0125 -0.46 0.244 -0.00397 -0.18 -0.4568 -0.9161 3212220 TimTec1_004212 CC1(C)N2CN(CCCCN3CN4N(C3)C4(C)C)CN21 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P11 compound treatment 0.239 -0.0125 -0.46 0.237 -0.011 -0.5 -0.6834 -0.9992 3085001 TimTec1_004213 FC(F)(F)c1ccccc1NCn2nnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P12 compound treatment 0.248 -0.00348 -0.13 0.234 -0.014 -0.64 -0.5439 -0.8334 1471541 TimTec1_004214 OC(=O)CCNc1ccc(Br)cc1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P13 compound treatment 0.249 -0.00248 -0.09 0.24 -0.00797 -0.36 -0.3233 -0.8591 3212221 TimTec1_004215 CCOC(=O)c1[nH]c(=O)[nH]c1CC2C(=O)CC(C)(C)CC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P14 compound treatment 0.237 -0.0145 -0.54 0.242 -0.00597 -0.27 -0.5742 -0.9505 1913403 TimTec1_004216 CN(C)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(n1)N(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P15 compound treatment 0.249 -0.00248 -0.09 0.242 -0.00597 -0.27 -0.2585 -0.8963 1008937 TimTec1_004217 C(COc1ccccc1)Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P16 compound treatment 0.242 -0.00948 -0.35 0.241 -0.00697 -0.32 -0.475 -0.9987 1247888 TimTec1_004218 O=C(CSc1ccccn1)NCC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P17 compound treatment 0.286 0.0345 1.28 0.287 0.039 1.79 2.1715 0.9868 1266971 TimTec1_004219 C(Sc1nc2ccccc2o1)c3cccc(Oc4ccccc4)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P18 compound treatment 0.249 -0.00248 -0.09 0.25 0.00203 0.09 5.0E-4 0.0036 3212222 TimTec1_004220 Cc1nnc(SCc2ccc(F)cc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P19 compound treatment 0.243 -0.00848 -0.32 0.243 -0.00497 -0.23 -0.384 -0.9871 1377201 TimTec1_004221 O=C1N(CCNS(=O)(=O)c2ccc3oc4ccccc4c3c2)Cc5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P20 compound treatment 0.24 -0.0115 -0.43 0.24 -0.00797 -0.36 -0.56 -0.9969 1474244 TimTec1_004222 CC1(C)Cc2c(CO1)c(nc3sc(cc23)C(=O)O)N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P21 compound treatment 0.249 -0.00248 -0.09 0.25 0.00203 0.09 5.0E-4 0.0036 3212223 TimTec1_004223 COc1cccc2C(CC(=O)c3ccc(O)cc3)C4=C(CC(C)(C)CC4=O)Oc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P22 compound treatment 0.243 -0.00848 -0.32 0.238 -0.00997 -0.46 -0.5459 -0.9838 3085007 TimTec1_004224 CC(=CCS(=O)(=O)c1ccccc1)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P23 mock treatment 0.224 -0.0275 -1.02 0.228 -0.02 -0.91 -1.3693 -0.9984 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2074 P24 mock treatment 0.215 -0.0365 -1.36 0.216 -0.032 -1.46 -1.9946 -0.9993 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A01 compound treatment 0.194 -0.0548 -2.04 0.187 -0.0651 -2.98 -3.548 -0.9828 3085008 TimTec1_004225 CC(=C)CS(=O)(=O)c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A02 compound treatment 0.237 -0.0118 -0.44 0.214 -0.0381 -1.74 -1.5429 -0.8579 1397478 TimTec1_004226 COc1ccc(NC(=O)C2C(=C2c3ccccc3)c4ccccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A03 compound treatment 0.237 -0.0118 -0.44 0.243 -0.0091 -0.42 -0.604 -0.9997 1295145 TimTec1_004227 CCOC(=O)C1(C(CC(=O)CC1c2ccccc2)c3ccccc3)C(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A04 compound treatment 0.241 -0.00777 -0.29 0.241 -0.0111 -0.51 -0.5635 -0.9642 1717498 TimTec1_004228 CC(C)(C)C(=O)NCCc1c[nH]c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A05 compound treatment 0.247 -0.00177 -0.07 0.233 -0.0191 -0.87 -0.6647 -0.7581 3212224 TimTec1_004229 CC(C)(COC(=O)c1ccccc1)NC2=NS(=O)(=O)c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A06 compound treatment 0.236 -0.0128 -0.47 0.237 -0.0151 -0.69 -0.8246 -0.9832 1324852 TimTec1_004230 CC1CC(O)(Cc2ccc(C)cc2)C(C)CN1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A07 compound treatment 0.213 -0.0358 -1.33 0.238 -0.0141 -0.65 -1.3971 -0.9448 1528736 TimTec1_004231 COc1cccc(CC(C)C(=O)N)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A08 compound treatment 0.252 0.00323 0.12 0.252 -9.68E-5 0.0 0.0819 0.6806 3212225 TimTec1_004232 COc1c(ccc2ccccc12)C(=O)NCCOc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A09 compound treatment 0.23 -0.0188 -0.7 0.235 -0.0171 -0.78 -1.0471 -0.9984 3212226 TimTec1_004233 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC21C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A10 compound treatment 0.243 -0.00577 -0.21 0.229 -0.0231 -1.06 -0.8995 -0.8336 1391256 TimTec1_004234 O=C(COc1cccc(OCC(=O)Nc2ccccn2)c1)Nc3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A11 compound treatment 0.23 -0.0188 -0.7 0.228 -0.0241 -1.1 -1.2737 -0.9756 3085079 TimTec1_004235 CN(CP(=O)(O)CN1CCCC1=O)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A12 compound treatment 0.22 -0.0288 -1.07 0.247 -0.0051 -0.23 -0.9216 -0.8415 1155490 TimTec1_004236 OC(=O)CN(CC(=O)O)c1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A13 compound treatment 0.226 -0.0228 -0.85 0.247 -0.0051 -0.23 -0.7638 -0.8696 3085081 TimTec1_004237 O/N=C/C(=O)Nc1ccccc1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A14 compound treatment 0.243 -0.00577 -0.21 0.223 -0.0291 -1.33 -1.0937 -0.8105 1152383 TimTec1_004238 COc1ccc(NC(=O)C2C3C2C4CCC3C4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A15 compound treatment 0.251 0.00223 0.08 0.238 -0.0141 -0.65 -0.3977 -0.6111 1199333 TimTec1_004239 O=C(NCc1ccccc1)C2CC2(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A16 compound treatment 0.242 -0.00677 -0.25 0.232 -0.0201 -0.92 -0.8286 -0.8686 3212227 TimTec1_004240 Cc1ccc(cc1)C(=O)CC(C(C#N)C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A17 compound treatment 0.234 -0.0148 -0.55 0.246 -0.0061 -0.28 -0.5858 -0.9507 3085083 TimTec1_004241 O=c1[nH][nH]c(=O)c2c(/N=C/c3cccc4ccccc34)cccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A18 compound treatment 0.282 0.0332 1.24 0.268 0.0159 0.73 1.389 0.9682 3212228 TimTec1_004242 COc1ccc(OC)c(NC(=O)C2C3CC/C=C/CC\C=C/CCC23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A19 compound treatment 0.24 -0.00877 -0.33 0.244 -0.0081 -0.37 -0.4927 -0.998 3085086 TimTec1_004243 Brc1ccccc1NC(=O)CSc2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A20 compound treatment 0.437 0.188 7.0 0.361 0.109 4.99 8.4766 0.9862 3212229 TimTec1_004244 COc1ccc(cc1)N2C(=O)C(=CC2(OC)c3ccccc3)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A21 compound treatment 0.256 0.00723 0.27 0.243 -0.0091 -0.42 -0.1043 -0.2103 3085088 TimTec1_004245 CN(C)/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A22 compound treatment 0.243 -0.00577 -0.21 0.241 -0.0111 -0.51 -0.5109 -0.9264 3212230 TimTec1_004246 O=C(CSc1ccccn1)N2CCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A23 mock treatment 0.227 -0.0218 -0.81 0.231 -0.0211 -0.97 -1.2555 -0.9961 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 A24 mock treatment 0.182 -0.0668 -2.48 0.201 -0.0511 -2.34 -3.4103 -0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B01 compound treatment 0.224 -0.0248 -0.92 0.248 -0.0041 -0.19 -0.784 -0.834 1674437 TimTec1_004247 CCN1N=C(C)C=C(C)n2c1nc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B02 compound treatment 0.271 0.0222 0.83 0.272 0.0199 0.91 1.2292 0.9988 1696382 TimTec1_004248 Cc1ccc(NC(=O)C2C3CCCCC=CC23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B03 compound treatment 0.261 0.0122 0.46 0.264 0.0119 0.55 0.7071 0.996 3212231 TimTec1_004249 CCC1SC(=NC1=O)Nc2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B04 compound treatment 0.254 0.00523 0.19 0.259 0.0069 0.32 0.3611 0.9729 1427335 TimTec1_004250 C=CCN(CC=C)S(=O)(=O)c1ncn[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B05 compound treatment 0.258 0.00923 0.34 0.261 0.0089 0.41 0.5311 0.9964 3085092 TimTec1_004251 Nc1cc(ccc1OCc2ccccc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B06 compound treatment 0.296 0.0472 1.76 0.291 0.0389 1.78 2.5018 1.0 3212232 TimTec1_004252 CN(C)c1c(C(=C(C#N)C#N)C#N)c2ccccc2n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B07 compound treatment 0.263 0.0142 0.53 0.264 0.0119 0.55 0.7597 0.9999 3085094 TimTec1_004253 OC(=O)c1ccc(CSc2ccccn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B08 compound treatment 0.278 0.0292 1.09 0.277 0.0249 1.14 1.5751 0.9997 1347619 TimTec1_004254 CCC1NC(=S)NC(=C1C(=O)c2ccccc2)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B09 compound treatment 0.254 0.00523 0.19 0.265 0.0129 0.59 0.5554 0.8929 3085159 TimTec1_004255 CCOc1ccc(cc1NC(=O)C)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B10 compound treatment 0.256 0.00723 0.27 0.258 0.0059 0.27 0.3814 1.0 1518737 TimTec1_004256 CCC(=O)N1N=C2CC(C)(C)OCC2C1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B11 compound treatment 0.26 0.0112 0.42 0.259 0.0069 0.32 0.5189 0.9905 1335526 TimTec1_004257 CCOC(=O)c1nnn(c1CN2CCSCC2)c3nonc3N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B12 compound treatment 0.276 0.0272 1.01 0.263 0.0109 0.5 1.0693 0.9469 1291333 TimTec1_004258 CC1(C)NN(C(=S)N1)c2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B13 compound treatment 0.264 0.0152 0.57 0.271 0.0189 0.87 1.0127 0.9789 1385793 TimTec1_004259 Cc1nn(c(O)c1C2CC(=O)N(C2=O)c3ccccc3)c4cccc(Cl)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B14 compound treatment 0.263 0.0142 0.53 0.264 0.0119 0.55 0.7597 0.9999 1213104 TimTec1_004260 CC(CC(=O)C1C(C)C=CCC1(C)C)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B15 compound treatment 0.26 0.0112 0.42 0.26 0.0079 0.36 0.5513 0.9974 3212233 TimTec1_004261 CN/C(=N\C)/SC1CC(=O)N(C1=O)c2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B16 compound treatment 0.298 0.0492 1.83 0.294 0.0419 1.92 2.6516 0.9997 1345990 TimTec1_004262 CCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc2nc3ccc(cc3s2)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B17 compound treatment 0.259 0.0102 0.38 0.26 0.0079 0.36 0.525 0.9997 1326177 TimTec1_004263 COc1cccc2c(CCN)c[nH]c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B18 compound treatment 0.358 0.109 4.06 0.35 0.0979 4.48 6.0427 0.9988 3085165 TimTec1_004264 CCC1=C(C)/C(=C\c2[nH]c(C)c(CC)c2C)/N=C1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B19 compound treatment 0.477 0.228 8.49 0.471 0.219 10.02 13.09 0.9966 3212234 TimTec1_004265 CCOc1cc(/C=C/2\OC(=O)c3c2cc(C)[nH]c3=S)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B20 compound treatment 0.254 0.00523 0.19 0.254 0.0019 0.09 0.1993 0.9343 1379087 TimTec1_004266 Cc1ccc(OCc2nn(CN3CCC4(CC3)OCCO4)c(=S)n2C)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B21 compound treatment 0.261 0.0122 0.46 0.26 0.0079 0.36 0.5776 0.9936 1413553 TimTec1_004267 CCC(Sc1nnc(C)c(=O)[nH]1)C(=O)Nc2ccccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B22 compound treatment 0.253 0.00423 0.16 0.253 9.03E-4 0.04 0.1406 0.8635 3212308 TimTec1_004268 COc1ccc(Br)cc1S(=O)(=O)NCCCN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B23 mock treatment 0.259 0.0102 0.38 0.26 0.0079 0.36 0.525 0.9997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 B24 mock treatment 0.241 -0.00777 -0.29 0.268 0.0159 0.73 0.3106 0.3965 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C01 compound treatment 0.238 -0.0108 -0.4 0.228 -0.0241 -1.1 -1.0633 -0.9059 1539639 TimTec1_004269 COc1ccc(cc1)C(N)CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C02 compound treatment 0.238 -0.0108 -0.4 0.242 -0.0101 -0.46 -0.6101 -0.9974 1192605 TimTec1_004270 O=C(NCCc1ccccc1)c2ccc(o2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C03 compound treatment 0.305 0.0562 2.09 0.299 0.0469 2.15 2.9975 0.9999 3085169 TimTec1_004271 NC/1=C(C#N)C(=N)S\C1=C\c2ccc(Cl)c(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C04 compound treatment 0.296 0.0472 1.76 0.275 0.0229 1.05 1.9838 0.9696 3212309 TimTec1_004272 CCCCC(CC)CNC1=NS(=O)(=O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C05 compound treatment 0.243 -0.00577 -0.21 0.246 -0.0061 -0.28 -0.3491 -0.9915 1436367 TimTec1_004273 CSc1nc2nc(N)nc(N)c2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C06 compound treatment 0.254 0.00523 0.19 0.253 9.03E-4 0.04 0.1669 0.8386 3212310 TimTec1_004274 COc1ccc(Cc2nnc(S)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C07 compound treatment 0.258 0.00923 0.34 0.256 0.0039 0.18 0.3692 0.9537 3085173 TimTec1_004275 OC(=O)CSC1=CC(=O)N(C1=O)c2cccc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C08 compound treatment 0.256 0.00723 0.27 0.258 0.0059 0.27 0.3814 1.0 1438726 TimTec1_004276 Cc1ccnc(c1)N2C(=O)OC(C)(C)C2(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C09 compound treatment 0.244 -0.00477 -0.18 0.248 -0.0041 -0.19 -0.258 -0.9996 1517107 TimTec1_004277 CC(=O)N1CCN2C(=O)C1CCCC(=O)c3cc(ccc23)C4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C10 compound treatment 0.293 0.0442 1.65 0.292 0.0399 1.83 2.4553 0.9986 1430711 TimTec1_004278 COC(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3o2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C11 compound treatment 0.246 -0.00277 -0.1 0.244 -0.0081 -0.37 -0.3349 -0.8705 1141099 TimTec1_004279 OC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C12 compound treatment 0.249 2.33E-4 0.01 0.248 -0.0041 -0.19 -0.1265 -0.6737 3085175 TimTec1_004280 Cc1cccc(c1)n2nn[nH]c2=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C13 compound treatment 0.259 0.0102 0.38 0.262 0.0099 0.45 0.5898 0.9962 3212311 TimTec1_004281 Brc1ccc(/C=C/2\C(=O)NN(C2=O)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C14 compound treatment 0.247 -0.00177 -0.07 0.245 -0.0071 -0.32 -0.2762 -0.8332 1600116 TimTec1_004282 NS(=O)(=O)c1ncn(Cc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C15 compound treatment 0.252 0.00323 0.12 0.245 -0.0071 -0.32 -0.1447 -0.4177 1916017 TimTec1_004283 Nc1ccc(cc1)c2cnc(nc2)c3ccc(N)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C16 compound treatment 0.254 0.00523 0.19 0.252 -9.68E-5 0.0 0.1345 0.6908 1129774 TimTec1_004284 CCOC(=O)c1oc2ccccc2c1NC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C17 compound treatment 0.255 0.00623 0.23 0.255 0.0029 0.13 0.2579 0.9651 1248984 TimTec1_004285 COc1ccc(NC(=O)c2ccc3ccccc3c2OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C18 compound treatment 0.26 0.0112 0.42 0.261 0.0089 0.41 0.5837 0.9999 3085247 TimTec1_004286 CC(NC(=O)Nc1ccccc1Br)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C19 compound treatment 0.29 0.0412 1.53 0.245 -0.0071 -0.32 0.8547 0.5452 1510374 TimTec1_004287 COc1ccc(NC(=O)C2CCC(=O)N2C(=O)OCc3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C20 compound treatment 0.247 -0.00177 -0.07 0.246 -0.0061 -0.28 -0.2439 -0.8503 3085249 TimTec1_004288 CC1(C)Cc2ccccc2C(=N1)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C21 compound treatment 0.24 -0.00877 -0.33 0.24 -0.0121 -0.55 -0.6222 -0.9681 1404871 TimTec1_004289 O=C(N1CCSC1c2ccccc2)c3cc4ccccc4oc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C22 compound treatment 0.246 -0.00277 -0.1 0.247 -0.0051 -0.23 -0.2378 -0.9323 1143185 TimTec1_004290 CC(C)(C)C(=O)N1CCCC1C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C23 mock treatment 0.242 -0.00677 -0.25 0.244 -0.0081 -0.37 -0.4401 -0.9822 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 C24 mock treatment 0.234 -0.0148 -0.55 0.238 -0.0141 -0.65 -0.8448 -0.9968 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D01 compound treatment 0.283 0.0342 1.27 0.287 0.0349 1.6 2.0304 0.9937 3212312 TimTec1_004291 CCC(SC1=NC(=O)C(C(=O)N1)c2ccccc2)C(=O)Nc3sc4CCCCc4c3C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D02 compound treatment 0.255 0.00623 0.23 0.256 0.0039 0.18 0.2903 0.9917 1681507 TimTec1_004292 S=C(SCc1ccc(CSC(=S)N2CCOCC2)cc1)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D03 compound treatment 0.259 0.0102 0.38 0.255 0.0029 0.13 0.3631 0.9007 1369855 TimTec1_004293 CCC(=O)N1CCC(CC1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D04 compound treatment 0.266 0.0172 0.64 0.256 0.0039 0.18 0.5796 0.871 1327254 TimTec1_004294 O=C1C(C(=O)c2ccccc12)C3=Nc4ccccc4NC(C3)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D05 compound treatment 0.252 0.00323 0.12 0.253 9.03E-4 0.04 0.1143 0.8986 1670837 TimTec1_004295 OC(C#CCN1CCCC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D06 compound treatment 0.302 0.0532 1.98 0.295 0.0429 1.96 2.7891 1.0 3085254 TimTec1_004296 Nc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D07 compound treatment 0.252 0.00323 0.12 0.254 0.0019 0.09 0.1467 0.9875 1149209 TimTec1_004297 Cn1ccnc1SCC(=O)Nc2ccccc2Oc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D08 compound treatment 0.256 0.00723 0.27 0.253 9.03E-4 0.04 0.2195 0.8063 1583796 TimTec1_004298 OC(=O)c1ccc(cc1)c2cnc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D09 compound treatment 0.255 0.00623 0.23 0.256 0.0039 0.18 0.2903 0.9917 1479857 TimTec1_004299 Nc1ccc(OCC(=O)N2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D10 compound treatment 0.304 0.0552 2.05 0.303 0.0509 2.33 3.1007 0.998 1457410 TimTec1_004300 C(Nc1ccc2oc(nc2c1)c3ccccc3)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D11 compound treatment 0.27 0.0212 0.79 0.271 0.0189 0.87 1.1705 0.999 3085258 TimTec1_004301 CC(=O)OC1(CN2CCC1CC2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D12 compound treatment 0.255 0.00623 0.23 0.254 0.0019 0.09 0.2256 0.9107 1325596 TimTec1_004302 CC(=O)N1C(O)C(O)N(C(=O)C)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D13 compound treatment 0.246 -0.00277 -0.1 0.258 0.0059 0.27 0.1184 0.4092 3085259 TimTec1_004303 CNC(=N)NC(=O)Nc1c(C)cccc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D14 compound treatment 0.252 0.00323 0.12 0.246 -0.0061 -0.28 -0.1124 -0.3696 1635468 TimTec1_004304 COc1ccc2n(c(C)c(C(=O)N3CCN(C)CC3)c2c1)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D15 compound treatment 0.256 0.00723 0.27 0.254 0.0019 0.09 0.2519 0.8906 1665310 TimTec1_004305 CC1(C)CC(=O)CC(=C1)NCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D16 compound treatment 0.275 0.0262 0.98 0.274 0.0219 1.0 1.3991 0.9999 1262068 TimTec1_004306 Cc1cc(=O)oc2c3c(OC(=O)c4ccccc4)coc3c(NC(=O)c5ccccc5)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D17 compound treatment 0.264 0.0152 0.57 0.265 0.0129 0.59 0.8184 0.9998 1639736 TimTec1_004307 CC(C)OC(=O)C1C(C2CC1C=C2)C(=O)NCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D18 compound treatment 0.262 0.0132 0.49 0.259 0.0069 0.32 0.5715 0.9771 3212313 TimTec1_004308 O=C(CSc1nnc[nH]1)C2CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D19 compound treatment 0.257 0.00823 0.31 0.257 0.0049 0.22 0.3753 0.9883 1018938 TimTec1_004309 O=C(N1CCN(CC1)C(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D20 compound treatment 0.252 0.00323 0.12 0.252 -9.68E-5 0.0 0.0819 0.6806 1028190 TimTec1_004310 COc1ccc(CC(O)CN2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D21 compound treatment 0.258 0.00923 0.34 0.255 0.0029 0.13 0.3368 0.9147 1610412 TimTec1_004311 CC(C)(C)OC(=O)N1CC(O)CC1C(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D22 compound treatment 0.248 -7.67E-4 -0.03 0.248 -0.0041 -0.19 -0.1528 -0.8053 1636298 TimTec1_004312 Cn1ccnc1SCC(=O)N2c3ccccc3CCc4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D23 mock treatment 0.257 0.00823 0.31 0.253 9.03E-4 0.04 0.2458 0.7954 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 D24 mock treatment 0.244 -0.00477 -0.18 0.248 -0.0041 -0.19 -0.258 -0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E01 compound treatment 0.247 -0.00177 -0.07 0.246 -0.0061 -0.28 -0.2439 -0.8503 3212314 TimTec1_004313 CC(=O)NCC(c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E02 compound treatment 0.25 0.00123 0.05 0.251 -0.0011 -0.05 -0.0031 -0.0452 1202468 TimTec1_004314 O=C(NCN1CCN(Cc2ccccc2)CC1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E03 compound treatment 0.255 0.00623 0.23 0.255 0.0029 0.13 0.2579 0.9651 3085337 TimTec1_004315 COc1ccc(/N=C/c2ccc(Sc3ccccn3)o2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E04 compound treatment 0.263 0.0142 0.53 0.257 0.0049 0.22 0.5331 0.9271 1420647 TimTec1_004316 O=C(COC(=O)c1ccco1)N2c3ccccc3Sc4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E05 compound treatment 0.262 0.0132 0.49 0.26 0.0079 0.36 0.6039 0.9886 1547103 TimTec1_004317 CC(N1C(=O)CCC1=O)C(=O)Oc2ccc3c(C)cc(=O)oc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E06 compound treatment 0.259 0.0102 0.38 0.26 0.0079 0.36 0.525 0.9997 1714581 TimTec1_004318 Cc1ccc(CCP(=O)(O)CN2CCCCC2)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E07 compound treatment 0.252 0.00323 0.12 0.258 0.0059 0.27 0.2762 0.9335 3085340 TimTec1_004319 Cc1ccc(NC(=O)CC2CCC2)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E08 compound treatment 0.264 0.0152 0.57 0.27 0.0179 0.82 0.9803 0.9837 3212315 TimTec1_004320 Cc1cc(C)nc(n1)N2C(=C)C(C)(C)OC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E09 compound treatment 0.262 0.0132 0.49 0.264 0.0119 0.55 0.7334 0.9987 3085343 TimTec1_004321 Cc1sc(/N=C/c2ccc(Cl)c(Cl)c2)c(C#N)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E10 compound treatment 0.323 0.0742 2.76 0.325 0.0729 3.34 4.3127 0.9956 1671390 TimTec1_004322 Ic1ccc(Nc2nc3nonc3n4nnnc24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E11 compound treatment 0.258 0.00923 0.34 0.251 -0.0011 -0.05 0.2073 0.5974 1687107 TimTec1_004323 CN1CCC(O)(CC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E12 compound treatment 0.265 0.0162 0.6 0.263 0.0109 0.5 0.78 0.9955 1215551 TimTec1_004324 COC(=O)C1=C(N)N(C2=C(C1c3ccc(OC)cc3)C(=O)CCC2)c4ccc(cc4)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E13 compound treatment 0.258 0.00923 0.34 0.264 0.0119 0.55 0.6282 0.9752 1516816 TimTec1_004325 Clc1cccc(OCCN2CCN(CC2)c3ccccc3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E14 compound treatment 0.256 0.00723 0.27 0.255 0.0029 0.13 0.2842 0.9472 3212316 TimTec1_004326 O=C(CCCc1ccccc1)NC2CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E15 compound treatment 0.255 0.00623 0.23 0.257 0.0049 0.22 0.3227 0.9999 1919871 TimTec1_004327 CCS(=O)(=O)C(=C1Nc2ccccc2N1)S(=O)(=O)CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E16 compound treatment 0.255 0.00623 0.23 0.256 0.0039 0.18 0.2903 0.9917 1212477 TimTec1_004328 CCOC(=O)C1=C(C)OC(=C(C#N)C21C(=O)Nc3ccc(C)cc32)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E17 compound treatment 0.261 0.0122 0.46 0.258 0.0059 0.27 0.5129 0.9691 3212317 TimTec1_004329 Nc1ccnc(c1C(=O)c2ccccc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E18 compound treatment 0.285 0.0362 1.35 0.292 0.0399 1.83 2.2449 0.9888 1147665 TimTec1_004330 Fc1ccccc1C(=O)Nc2ccc3nc(SCC(=O)NC4CC4)sc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E19 compound treatment 0.244 -0.00477 -0.18 0.239 -0.0131 -0.6 -0.5494 -0.8786 1323101 TimTec1_004331 COC(=O)c1c(CC=C(C)C)c(C)nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E20 compound treatment 0.263 0.0142 0.53 0.267 0.0149 0.68 0.8569 0.9921 3212392 TimTec1_004332 CC1CN=C(S1)N(Cc2ccccc2Cl)C(=O)Nc3cccc(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E21 compound treatment 0.256 0.00723 0.27 0.254 0.0019 0.09 0.2519 0.8906 3085349 TimTec1_004333 S=c1[nH]nc(Cc2ccccc2)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E22 compound treatment 0.271 0.0222 0.83 0.276 0.0239 1.09 1.3587 0.9904 1488335 TimTec1_004334 O=C(CSc1ncnc2[nH]cnc12)c3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E23 mock treatment 0.256 0.00723 0.27 0.255 0.0029 0.13 0.2842 0.9472 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 E24 mock treatment 0.245 -0.00377 -0.14 0.25 -0.0021 -0.1 -0.167 -0.983 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F01 compound treatment 0.244 -0.00477 -0.18 0.25 -0.0021 -0.1 -0.1933 -0.9585 3085351 TimTec1_004335 Cc1ccnc(NC(=O)c2cccs2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F02 compound treatment 0.26 0.0112 0.42 0.261 0.0089 0.41 0.5837 0.9999 3085353 TimTec1_004336 CSc1ncc(F)c(n1)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F03 compound treatment 0.259 0.0102 0.38 0.26 0.0079 0.36 0.525 0.9997 3212393 TimTec1_004337 CCC(Sc1ccccn1)C(=O)Nc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F04 compound treatment 0.261 0.0122 0.46 0.257 0.0049 0.22 0.4805 0.947 3084406 TimTec1_004338 Nc1ccc(OCCOc2ccc(N)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F05 compound treatment 0.271 0.0222 0.83 0.269 0.0169 0.77 1.132 0.9995 1262298 TimTec1_004339 Fc1ccc(CNC(=O)C2CN(C(=O)C2)c3ccc(F)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F06 compound treatment 0.258 0.00923 0.34 0.258 0.0059 0.27 0.434 0.993 3212394 TimTec1_004340 CN(CC(COc1ccccc1)OC(=O)c2ccc(Cl)cc2)C3=NS(=O)(=O)c4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F07 compound treatment 0.256 0.00723 0.27 0.261 0.0089 0.41 0.4785 0.9797 1118159 TimTec1_004341 Cc1ccc(OCCN)c(Br)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F08 compound treatment 0.303 0.0542 2.02 0.276 0.0239 1.09 2.2003 0.9587 1694465 TimTec1_004342 COc1ccc(cc1)c2nn(CO)c(=S)n2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F09 compound treatment 0.263 0.0142 0.53 0.257 0.0049 0.22 0.5331 0.9271 3084411 TimTec1_004343 O=S1(=O)N=C(N2CCNCC2)c3ccccc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F10 compound treatment 0.281 0.0322 1.2 0.281 0.0289 1.32 1.7835 0.9988 1406499 TimTec1_004344 Cc1cc(C)c(COC(=O)c2nonc2N)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F11 compound treatment 0.265 0.0162 0.6 0.264 0.0119 0.55 0.8123 0.9987 1497656 TimTec1_004345 CC1(C)CC(=O)C(C(O)c2ccccc2)C(C)(C)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F12 compound treatment 0.277 0.0282 1.05 0.277 0.0249 1.14 1.5488 0.9992 3084413 TimTec1_004346 O=C(CSc1nnc(o1)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F13 compound treatment 0.26 0.0112 0.42 0.268 0.0159 0.73 0.8103 0.9652 1560213 TimTec1_004347 Clc1cccc(NC(=O)NC2CCN(C2)C3CCCCC3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F14 compound treatment 0.262 0.0132 0.49 0.262 0.0099 0.45 0.6687 0.9992 3084415 TimTec1_004348 Cc1cn(C(=O)c2ccc(Cl)cc2Cl)c(C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F15 compound treatment 0.265 0.0162 0.6 0.261 0.0089 0.41 0.7152 0.9817 1406332 TimTec1_004349 O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)NCC4CCCO4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F16 compound treatment 0.278 0.0292 1.09 0.274 0.0219 1.0 1.478 0.9992 3212395 TimTec1_004350 O=C1C2C(C3=C(CCCC3=O)N=C2c4ccccc14)c5cccs5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F17 compound treatment 0.261 0.0122 0.46 0.26 0.0079 0.36 0.5776 0.9936 1570773 TimTec1_004351 CC(C)(C)Nc1nc(NC(C)(C)C)nc(n1)N2CCNCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F18 compound treatment 0.269 0.0202 0.75 0.262 0.0099 0.45 0.8528 0.9706 1621338 TimTec1_004352 O=C(CSc1nc2ccccc2[nH]1)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F19 compound treatment 0.266 0.0172 0.64 0.268 0.0159 0.73 0.9681 0.998 1630047 TimTec1_004353 O=S1(=O)CCC(C1)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F20 compound treatment 0.28 0.0312 1.16 0.277 0.0249 1.14 1.6277 1.0 1536902 TimTec1_004354 Cc1ccc(cc1)C(=O)C2C(=O)OC(=CC2=O)c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F21 compound treatment 0.264 0.0152 0.57 0.265 0.0129 0.59 0.8184 0.9998 1248516 TimTec1_004355 Nc1nnc(SCC(=O)N2CCCCC2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F22 compound treatment 0.265 0.0162 0.6 0.269 0.0169 0.77 0.9742 0.9925 3084420 TimTec1_004356 O=c1/c(=C\c2ccncc2)/sc3nc4ccccc4n13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F23 mock treatment 0.26 0.0112 0.42 0.262 0.0099 0.45 0.6161 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 F24 mock treatment 0.259 0.0102 0.38 0.253 9.03E-4 0.04 0.2984 0.7793 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G01 compound treatment 0.239 -0.00977 -0.36 0.249 -0.0031 -0.14 -0.3571 -0.9158 1052156 TimTec1_004357 O=S(=O)(Nc1ccccn1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G02 compound treatment 0.257 0.00823 0.31 0.255 0.0029 0.13 0.3105 0.9302 1455699 TimTec1_004358 CC1(C)CC(CC(C)(C)N1)NC(=O)c2ccc(o2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G03 compound treatment 0.256 0.00723 0.27 0.259 0.0069 0.32 0.4137 0.9968 3084422 TimTec1_004359 CCc1ccc2oc(nc2c1)c3cc(/N=C\c4ccccc4O)ccc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G04 compound treatment 0.259 0.0102 0.38 0.261 0.0089 0.41 0.5574 0.9994 3212396 TimTec1_004360 CSc1nsc(SC)c1NC(=O)Nc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G05 compound treatment 0.25 0.00123 0.05 0.249 -0.0031 -0.14 -0.0678 -0.4551 3084424 TimTec1_004361 O=C(CCCCN1CCCCC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G06 compound treatment 0.263 0.0142 0.53 0.26 0.0079 0.36 0.6302 0.9828 3212397 TimTec1_004362 FC(F)(F)C(NC(=O)c1ccccc1)(N2CCOCC2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G07 compound treatment 0.254 0.00523 0.19 0.252 -9.68E-5 0.0 0.1345 0.6908 1644204 TimTec1_004363 CC(C)Nc1nc(Cl)nc(NC(C)(C)CO)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G08 compound treatment 0.258 0.00923 0.34 0.266 0.0139 0.64 0.693 0.9581 1320611 TimTec1_004364 O=C(Nc1ccccn1)c2cccc(c2)N3C(=O)CCC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G09 compound treatment 0.252 0.00323 0.12 0.248 -0.0041 -0.19 -0.0476 -0.2136 1019380 TimTec1_004365 C(N1CCCCC1)c2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G10 compound treatment 0.258 0.00923 0.34 0.258 0.0059 0.27 0.434 0.993 1557179 TimTec1_004366 OC(=O)CCn1c2ccccc2c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G11 compound treatment 0.245 -0.00377 -0.14 0.244 -0.0081 -0.37 -0.3612 -0.9114 1693338 TimTec1_004367 COc1ccc(cc1)c2ncccc2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G12 compound treatment 0.261 0.0122 0.46 0.253 9.03E-4 0.04 0.351 0.7682 1612647 TimTec1_004368 NNC(=O)c1ccc(OCC(O)CO)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G13 compound treatment 0.258 0.00923 0.34 0.261 0.0089 0.41 0.5311 0.9964 1723169 TimTec1_004369 CCN(CC)c1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G14 compound treatment 0.26 0.0112 0.42 0.261 0.0089 0.41 0.5837 0.9999 3084439 TimTec1_004370 N/C(=N\O)/c1cccc(n1)\C(=N\O)\N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G15 compound treatment 0.255 0.00623 0.23 0.254 0.0019 0.09 0.2256 0.9107 3212398 TimTec1_004371 Cn1c2N(CC(=O)c2c(=O)n(C)c1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G16 compound treatment 0.257 0.00823 0.31 0.255 0.0029 0.13 0.3105 0.9302 3084441 TimTec1_004372 C(Sc1nnc(SCc2ccccn2)s1)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G17 compound treatment 0.343 0.0942 3.51 0.346 0.0939 4.3 5.5187 0.9949 3212399 TimTec1_004373 Fc1ccc(cc1)c2cc(nc(SCC(=O)Oc3ccccc3)c2C#N)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G18 compound treatment 0.256 0.00723 0.27 0.256 0.0039 0.18 0.3166 0.9803 1717375 TimTec1_004374 O=C(CCSc1nccn1Cc2ccccc2)NC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G19 compound treatment 0.255 0.00623 0.23 0.257 0.0049 0.22 0.3227 0.9999 3084443 TimTec1_004375 Cc1cc(C)nc(SCC(=O)c2c(N)no[n+]2[O-])n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G20 compound treatment 0.278 0.0292 1.09 0.276 0.0239 1.09 1.5428 1.0 3212400 TimTec1_004376 CC1CN=C(S1)N(C(=O)Nc2ccc(Cl)cc2)c3cccc(C)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G21 compound treatment 0.254 0.00523 0.19 0.256 0.0039 0.18 0.264 0.9991 3084445 TimTec1_004377 CC(C)C(=O)NC1=NC2C(N=CN2C3CC(O)C(CO)O3)C(=N1)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G22 compound treatment 0.258 0.00923 0.34 0.255 0.0029 0.13 0.3368 0.9147 3212401 TimTec1_004378 O=C1CN(C=NN1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G23 mock treatment 0.256 0.00723 0.27 0.254 0.0019 0.09 0.2519 0.8906 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 G24 mock treatment 0.249 2.33E-4 0.01 0.255 0.0029 0.13 0.1001 0.7517 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H01 compound treatment 0.25 0.00123 0.05 0.251 -0.0011 -0.05 -0.0031 -0.0452 1333222 TimTec1_004379 COc1ccccc1NCn2c(=O)sc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H02 compound treatment 0.257 0.00823 0.31 0.255 0.0029 0.13 0.3105 0.9302 1378323 TimTec1_004380 CSc1ncc(F)c(n1)N(CCO)CCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H03 compound treatment 0.261 0.0122 0.46 0.263 0.0109 0.5 0.6748 0.9989 1426454 TimTec1_004381 O=C(CNC(=O)C(c1ccccc1)c2ccccc2)NC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H04 compound treatment 0.248 -7.67E-4 -0.03 0.252 -9.68E-5 0.0 -0.0233 -0.8073 3084448 TimTec1_004382 Cc1ccc(cc1)P(=O)(C)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H05 compound treatment 0.252 0.00323 0.12 0.251 -0.0011 -0.05 0.0495 0.38 1325975 TimTec1_004383 O=c1n(CCc2ccccn2)nc(c3ccccc3)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H06 compound treatment 0.254 0.00523 0.19 0.255 0.0029 0.13 0.2316 0.9827 1363120 TimTec1_004384 OC(COc1ccccc1)CS(=O)(=O)c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H07 compound treatment 0.262 0.0132 0.49 0.26 0.0079 0.36 0.6039 0.9886 1512838 TimTec1_004385 CSCCC1NC(=S)N(Cc2ccccc2)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H08 compound treatment 0.257 0.00823 0.31 0.26 0.0079 0.36 0.4724 0.9966 1461248 TimTec1_004386 Fc1ccc(cc1)C(=O)Nc2ccc3C(=O)OCc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H09 compound treatment 0.269 0.0202 0.75 0.268 0.0159 0.73 1.047 0.9999 1264638 TimTec1_004387 Oc1ccc2occ(C(=O)c3cccs3)c2c1CN4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H10 compound treatment 0.256 0.00723 0.27 0.251 -0.0011 -0.05 0.1547 0.5654 1248397 TimTec1_004388 CCSc1nc2ccccc2n1CC(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H11 compound treatment 0.25 0.00123 0.05 0.25 -0.0021 -0.1 -0.0354 -0.3332 3084452 TimTec1_004389 O=C(OC[C@@H]1CCCN2CCCCC12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H12 compound treatment 0.255 0.00623 0.23 0.254 0.0019 0.09 0.2256 0.9107 3212402 TimTec1_004390 CCOC(=O)c1[nH]c(COC(=O)C)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H13 compound treatment 0.269 0.0202 0.75 0.273 0.0209 0.96 1.2089 0.9929 1294077 TimTec1_004391 COc1ccc(cc1)C(=O)c2coc3ccc(OC)cc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H14 compound treatment 0.241 -0.00777 -0.29 0.239 -0.0131 -0.6 -0.6283 -0.9439 1370478 TimTec1_004392 Fc1cc2c(=O)cc[nH]c2cc1N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H15 compound treatment 0.255 0.00623 0.23 0.256 0.0039 0.18 0.2903 0.9917 1351428 TimTec1_004393 Cc1ccc(cc1)S(=O)(=O)N2CC(=O)N(O)C2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H16 compound treatment 0.263 0.0142 0.53 0.26 0.0079 0.36 0.6302 0.9828 3084456 TimTec1_004394 FC(F)(F)c1ccc2sc(S)nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H17 compound treatment 0.256 0.00723 0.27 0.259 0.0069 0.32 0.4137 0.9968 1715297 TimTec1_004395 N#CC(CCN1CCNCC1)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H18 compound treatment 0.248 -7.67E-4 -0.03 0.246 -0.0061 -0.28 -0.2176 -0.7753 1355787 TimTec1_004396 OCCN(CCO)C(=O)CCc1[nH]c2ccccc2c1Sc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H19 compound treatment 0.256 0.00723 0.27 0.258 0.0059 0.27 0.3814 1.0 3212474 TimTec1_004397 Clc1ccc(NC(=O)CSC2=NC(=O)C(C(=O)N2)c3ccccc3)nc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H20 compound treatment 0.252 0.00323 0.12 0.253 9.03E-4 0.04 0.1143 0.8986 3084461 TimTec1_004398 CC1CNc2ccccc2N=C1N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H21 compound treatment 0.261 0.0122 0.46 0.26 0.0079 0.36 0.5776 0.9936 3212475 TimTec1_004399 S=c1[nH]cnc2n(CN3CCCCC3)cnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H22 compound treatment 0.265 0.0162 0.6 0.267 0.0149 0.68 0.9095 0.9981 1451020 TimTec1_004400 OC1=C(C(=O)c2ccccc2)C3(O)N(C1=O)c4ccccc4OC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H23 mock treatment 0.26 0.0112 0.42 0.259 0.0069 0.32 0.5189 0.9905 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 H24 mock treatment 0.249 2.33E-4 0.01 0.263 0.0109 0.5 0.3591 0.7193 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I01 compound treatment 0.252 0.00323 0.12 0.252 -9.68E-5 0.0 0.0819 0.6806 3084463 TimTec1_004401 C/C(=N\N)/c1nnn(c1C)c2nonc2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I02 compound treatment 0.262 0.0132 0.49 0.259 0.0069 0.32 0.5715 0.9771 1525911 TimTec1_004402 OP(=O)(CCc1ccccn1)CN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I03 compound treatment 0.295 0.0462 1.72 0.307 0.0549 2.51 2.9935 0.9829 1170438 TimTec1_004403 CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(Nc3cccc(OC)c3)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I04 compound treatment 0.258 0.00923 0.34 0.257 0.0049 0.22 0.4016 0.9788 1584075 TimTec1_004404 O=C(C1C2C1C(=O)C3OCC2O3)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I05 compound treatment 0.257 0.00823 0.31 0.255 0.0029 0.13 0.3105 0.9302 1217640 TimTec1_004405 CN(C)Cc1cc2ccccc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I06 compound treatment 0.258 0.00923 0.34 0.25 -0.0021 -0.1 0.175 0.4906 1227632 TimTec1_004406 N#CCCn1c(nc2ccccc12)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I07 compound treatment 0.259 0.0102 0.38 0.253 9.03E-4 0.04 0.2984 0.7793 1733675 TimTec1_004407 Cc1ccc(cc1C)N2NC(=O)CC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I08 compound treatment 0.264 0.0152 0.57 0.275 0.0229 1.05 1.1422 0.9582 1603161 TimTec1_004408 COC(=O)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I09 compound treatment 0.253 0.00423 0.16 0.258 0.0059 0.27 0.3025 0.9669 1037174 TimTec1_004409 CCOC(=O)c1cc(C(=O)OCC)c(C)nc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I10 compound treatment 0.262 0.0132 0.49 0.258 0.0059 0.27 0.5392 0.9602 1467402 TimTec1_004410 COc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I11 compound treatment 0.255 0.00623 0.23 0.255 0.0029 0.13 0.2579 0.9651 1668645 TimTec1_004411 O=C(Nc1cccc2ccccc12)OC3CCS(=O)(=O)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I12 compound treatment 0.265 0.0162 0.6 0.263 0.0109 0.5 0.78 0.9955 3212476 TimTec1_004412 Cc1cc2/C(=C\c3ccc(Cl)c(Cl)c3)/OC(=O)c2c(=S)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I13 compound treatment 0.276 0.0272 1.01 0.278 0.0259 1.19 1.5549 0.9969 1917148 TimTec1_004413 O=c1[nH]c2ccc(/N=C/c3ccc(C#Cc4ccccc4)cc3)cc2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I14 compound treatment 0.252 0.00323 0.12 0.255 0.0029 0.13 0.179 0.9988 1236087 TimTec1_004414 O=C(C1CN2CCC1CC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I15 compound treatment 0.256 0.00723 0.27 0.255 0.0029 0.13 0.2842 0.9472 1912326 TimTec1_004415 CCOC(=O)C(C#N)C(=O)c1ccc(N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I16 compound treatment 0.257 0.00823 0.31 0.254 0.0019 0.09 0.2782 0.8736 1609648 TimTec1_004416 CCCC(OC(=O)C)C#CCN1CCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I17 compound treatment 0.264 0.0152 0.57 0.269 0.0169 0.77 0.9479 0.9882 3084472 TimTec1_004417 COC(=O)CSc1nsc(SCC(=O)OC)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I18 compound treatment 0.312 0.0632 2.35 0.311 0.0589 2.7 3.5702 0.9977 3212477 TimTec1_004418 CCC(Sc1nc(C)cc(C)n1)C(=O)Nc2sc3CCCCc3c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I19 compound treatment 0.257 0.00823 0.31 0.252 -9.68E-5 0.0 0.2134 0.6968 1539203 TimTec1_004419 CCC1CCCCN1C(=O)c2cc3ccccc3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I20 compound treatment 0.263 0.0142 0.53 0.263 0.0109 0.5 0.7274 0.9996 1728922 TimTec1_004420 Nc1nonc1C(=O)OCC(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I21 compound treatment 0.258 0.00923 0.34 0.264 0.0119 0.55 0.6282 0.9752 1427907 TimTec1_004421 CCOc1ccc(OCC)c(c1)C(=O)C2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I22 compound treatment 0.264 0.0152 0.57 0.264 0.0119 0.55 0.786 0.9998 1647970 TimTec1_004422 CCC(OC(=O)C)C#CCN1CCOCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I23 mock treatment 0.261 0.0122 0.46 0.262 0.0099 0.45 0.6424 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 I24 mock treatment 0.249 2.33E-4 0.01 0.261 0.0089 0.41 0.2944 0.722 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J01 compound treatment 0.25 0.00123 0.05 0.249 -0.0031 -0.14 -0.0678 -0.4551 3084477 TimTec1_004423 Cn1nnnc1SCC(=O)NC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J02 compound treatment 0.284 0.0352 1.31 0.278 0.0259 1.19 1.7653 0.9988 3084491 TimTec1_004424 Cn1c(=O)nc2n(c3cccc(c3)C(F)(F)F)c4ccccc4cc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J03 compound treatment 0.243 -0.00577 -0.21 0.247 -0.0051 -0.23 -0.3167 -0.9991 3084494 TimTec1_004425 Oc1ccccc1C(=O)N2N=C(CC2(O)C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J04 compound treatment 0.254 0.00523 0.19 0.256 0.0039 0.18 0.264 0.9991 1706033 TimTec1_004426 OC(=O)c1cccc(NC(=O)CC(=O)c2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J05 compound treatment 0.287 0.0382 1.42 0.289 0.0369 1.69 2.2004 0.9963 1279425 TimTec1_004427 CCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J06 compound treatment 0.285 0.0362 1.35 0.277 0.0249 1.14 1.7592 0.9965 1425542 TimTec1_004428 Fc1ccc(NC(=O)C2C3C2C4CCC3C4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J07 compound treatment 0.29 0.0412 1.53 0.295 0.0429 1.96 2.4735 0.9925 1301943 TimTec1_004429 Cc1[nH]c(=S)c(C#N)c(C)c1CC(=O)c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J08 compound treatment 0.253 0.00423 0.16 0.257 0.0049 0.22 0.2701 0.9849 1313319 TimTec1_004430 COc1ccc(NC(=O)CC2SCCNC2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J09 compound treatment 0.32 0.0712 2.65 0.326 0.0739 3.38 4.2662 0.9927 1169823 TimTec1_004431 CCN(CC)c1nc(Nc2ccccc2OC)nc(Nc3cc(C)ccc3C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J10 compound treatment 0.266 0.0172 0.64 0.271 0.0189 0.87 1.0653 0.9891 3084499 TimTec1_004432 Cc1ccc(cc1)n2c(SCC=C)nc3sc4CCCc4c3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J11 compound treatment 0.252 0.00323 0.12 0.255 0.0029 0.13 0.179 0.9988 1249197 TimTec1_004433 CCOC(=O)N1CCc2[nH]c3ccccc3c2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J12 compound treatment 0.269 0.0202 0.75 0.27 0.0179 0.82 1.1118 0.9991 1223335 TimTec1_004434 COc1ccc(Cl)cc1NC(=O)CCN2CCN(CC2)c3ccccc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J13 compound treatment 0.263 0.0142 0.53 0.257 0.0049 0.22 0.5331 0.9271 1680037 TimTec1_004435 O=c1cc(Nc2ccc(cc2)N3CCCCC3)[nH]c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J14 compound treatment 0.254 0.00523 0.19 0.251 -0.0011 -0.05 0.1021 0.508 1142790 TimTec1_004436 Cc1ccc(cc1C)N(Cc2ccc(cc2)C(=O)N3CCOCC3)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J15 compound treatment 0.244 -0.00477 -0.18 0.246 -0.0061 -0.28 -0.3228 -0.976 1406310 TimTec1_004437 CCCNc1nc(NC2CCCCC2)nc(OC(C)C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J16 compound treatment 0.266 0.0172 0.64 0.258 0.0059 0.27 0.6444 0.9263 3212719 TimTec1_004438 CCC(=O)NC(Nc1sc2CCCCc2c1C(=O)N)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J17 compound treatment 0.262 0.0132 0.49 0.263 0.0109 0.5 0.7011 1.0 1448396 TimTec1_004439 CC(C)C(NC(=O)C(c1ccccc1)c2ccccc2)C(=O)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J18 compound treatment 0.278 0.0292 1.09 0.291 0.0389 1.78 2.0284 0.972 1655510 TimTec1_004440 Cc1ccccc1Nc2nc(Nc3ccccc3C)nc(Sc4nccn4C)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J19 compound treatment 0.26 0.0112 0.42 0.262 0.0099 0.45 0.6161 0.9992 1576794 TimTec1_004441 CC(=O)N(Cc1ccc(cc1)S(=O)(=O)N)C2CC(=O)N(C2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J20 compound treatment 0.256 0.00723 0.27 0.257 0.0049 0.22 0.349 0.996 1667869 TimTec1_004442 Cc1ccccc1OCc2nnc(SCCC(=O)O)n2Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J21 compound treatment 0.259 0.0102 0.38 0.256 0.0039 0.18 0.3955 0.9406 3212720 TimTec1_004443 OCCCc1nnc(S)n1CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J22 compound treatment 0.249 2.33E-4 0.01 0.251 -0.0011 -0.05 -0.0294 -0.5764 3212721 TimTec1_004444 COc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J23 mock treatment 0.257 0.00823 0.31 0.255 0.0029 0.13 0.3105 0.9302 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 J24 mock treatment 0.241 -0.00777 -0.29 0.253 9.03E-4 0.04 -0.175 -0.5998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K01 compound treatment 0.251 0.00223 0.08 0.243 -0.0091 -0.42 -0.2358 -0.5551 3084505 TimTec1_004445 O=C(OCCSC1=NS(=O)(=O)c2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K02 compound treatment 0.25 0.00123 0.05 0.257 0.0049 0.22 0.1912 0.8344 3084507 TimTec1_004446 Cc1cc(C)c(C#N)c(SCC(=O)OC=C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K03 compound treatment 0.256 0.00723 0.27 0.255 0.0029 0.13 0.2842 0.9472 1649077 TimTec1_004447 O=C1OC2(CCCCC2)C(=C1)NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K04 compound treatment 0.251 0.00223 0.08 0.251 -0.0011 -0.05 0.0232 0.2393 3212722 TimTec1_004448 CC1=NN(C(=O)c2ccc(Cl)cc2)C(C)(O)C1CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K05 compound treatment 0.266 0.0172 0.64 0.263 0.0109 0.5 0.8063 0.9924 3212723 TimTec1_004449 COc1ccc(/C=N/C2(CC3CC4CC(C3)C2)C4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K06 compound treatment 0.257 0.00823 0.31 0.253 9.03E-4 0.04 0.2458 0.7954 1472188 TimTec1_004450 CCC(C)(N1CCC1=O)C(=O)Nc2cccc(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K07 compound treatment 0.264 0.0152 0.57 0.255 0.0029 0.13 0.4946 0.8499 3212724 TimTec1_004451 Cc1cccc2oc(nc12)c3ccc(/N=C/c4cc(ccc4O)C(=O)O)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K08 compound treatment 0.261 0.0122 0.46 0.26 0.0079 0.36 0.5776 0.9936 1385208 TimTec1_004452 Cc1ccc(C)c(c1)S(=O)(=O)n2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K09 compound treatment 0.262 0.0132 0.49 0.261 0.0089 0.41 0.6363 0.9956 1562045 TimTec1_004453 CN(c1c(C)n(C)n(c2ccccc2)c1=O)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K10 compound treatment 0.261 0.0122 0.46 0.26 0.0079 0.36 0.5776 0.9936 3084514 TimTec1_004454 Cc1cccc(NC(=O)c2cc(ccc2Cl)N3C(=O)C=CC3=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K11 compound treatment 0.258 0.00923 0.34 0.256 0.0039 0.18 0.3692 0.9537 3212887 TimTec1_004455 CC(C)CN(C(=O)Nc1ccccc1)C2=NCC(C)S2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K12 compound treatment 0.258 0.00923 0.34 0.255 0.0029 0.13 0.3368 0.9147 1735032 TimTec1_004456 COc1ccccc1Nc2nc3CCCCc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K13 compound treatment 0.262 0.0132 0.49 0.253 9.03E-4 0.04 0.3773 0.7638 1256975 TimTec1_004457 CCCCS(=O)C1CCCCC1OC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K14 compound treatment 0.273 0.0242 0.9 0.271 0.0189 0.87 1.2494 0.9998 1277459 TimTec1_004458 COC(=O)CNc1nc(Cl)nc(n1)N2CCC(C)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K15 compound treatment 0.26 0.0112 0.42 0.261 0.0089 0.41 0.5837 0.9999 1916082 TimTec1_004459 CC(=O)NC1=NN(C(S1)c2ccccc2)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K16 compound treatment 0.269 0.0202 0.75 0.262 0.0099 0.45 0.8528 0.9706 1664793 TimTec1_004460 Cc1ccc(cc1)N2C(=C(C(C3=C2CC(C)(C)CC3)c4ccc(Cl)cc4)C(=O)N)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K17 compound treatment 0.265 0.0162 0.6 0.265 0.0129 0.59 0.8447 0.9999 1554613 TimTec1_004461 CSc1nsc(SC)c1NC(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K18 compound treatment 0.273 0.0242 0.9 0.284 0.0319 1.46 1.6703 0.9731 1119521 TimTec1_004462 O=C1NC(Nc2c1sc(=S)n2c3ccccc3)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K19 compound treatment 0.251 0.00223 0.08 0.252 -9.68E-5 0.0 0.0556 0.6684 1275123 TimTec1_004463 Nc1cc(nn1CC2CCCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K20 compound treatment 0.267 0.0182 0.68 0.329 0.0769 3.52 2.9694 0.8281 1161548 TimTec1_004464 Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(c4ccccc4)c5ccccc5)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K21 compound treatment 0.259 0.0102 0.38 0.263 0.0109 0.5 0.6222 0.991 1635937 TimTec1_004465 O=C(CSn1nnnc1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K22 compound treatment 0.257 0.00823 0.31 0.254 0.0019 0.09 0.2782 0.8736 3212796 TimTec1_004466 FC(F)(F)c1c2CCc3ccccc3-c2nc4cc(nn14)C(=O)N5CCCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K23 mock treatment 0.262 0.0132 0.49 0.261 0.0089 0.41 0.6363 0.9956 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 K24 mock treatment 0.249 2.33E-4 0.01 0.255 0.0029 0.13 0.1001 0.7517 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L01 compound treatment 0.271 0.0222 0.83 0.265 0.0129 0.59 1.0025 0.9864 1434454 TimTec1_004467 CC(=O)Nc1ccc(Nc2cc(C)c3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L02 compound treatment 0.252 0.00323 0.12 0.253 9.03E-4 0.04 0.1143 0.8986 1330869 TimTec1_004468 CN1CC[C@@H]2[C@@H](C1)c3cc(C)ccc3N2C(=O)c4ccc(C)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L03 compound treatment 0.259 0.0102 0.38 0.257 0.0049 0.22 0.4279 0.9683 3084523 TimTec1_004469 Cc1cc(=O)oc2cc(OC(=O)CSC(=N)N)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L04 compound treatment 0.253 0.00423 0.16 0.253 9.03E-4 0.04 0.1406 0.8635 1640717 TimTec1_004470 CCC(C(O)c1ccccc1)c2nc3ccccc3n2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L05 compound treatment 0.268 0.0192 0.72 0.261 0.0089 0.41 0.7941 0.9644 3084525 TimTec1_004471 Clc1cccc(c1)C(=O)OCC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L06 compound treatment 0.273 0.0242 0.9 0.269 0.0169 0.77 1.1846 0.9971 3212798 TimTec1_004472 CCSc1nc(c(C#N)c(=O)n1CC)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L07 compound treatment 0.254 0.00523 0.19 0.253 9.03E-4 0.04 0.1669 0.8386 1227993 TimTec1_004473 CC1(C)C2CCC3(C)OC(=O)N(N1c4ccccc4)C23C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L08 compound treatment 0.258 0.00923 0.34 0.262 0.0099 0.45 0.5635 0.9906 1742964 TimTec1_004474 CCOC(=O)N1CCN(CC1)C(=S)NC(=O)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L09 compound treatment 0.255 0.00623 0.23 0.259 0.0069 0.32 0.3874 0.9884 1439010 TimTec1_004475 COc1ccc(CCNC(=O)C2C(C3CC2C=C3)C(=O)O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L10 compound treatment 0.261 0.0122 0.46 0.259 0.0069 0.32 0.5452 0.9842 3084528 TimTec1_004476 CC1(C)CC(NC(=O)C(F)(F)F)C(NC(=O)C(F)(F)F)C(C)(C)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L11 compound treatment 0.256 0.00723 0.27 0.256 0.0039 0.18 0.3166 0.9803 3212799 TimTec1_004477 NC(=O)/C(=N/O)/C1=NC2(CCCCC2)Cc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L12 compound treatment 0.284 0.0352 1.31 0.29 0.0379 1.74 2.1538 0.9904 1441377 TimTec1_004478 Clc1ccc(cc1)c2ccc(o2)C(=S)N3CCN(CC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L13 compound treatment 0.258 0.00923 0.34 0.256 0.0039 0.18 0.3692 0.9537 1208093 TimTec1_004479 CN(C)CCOC(=O)C1(CC2c3ccccc3C1c4ccccc24)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L14 compound treatment 0.264 0.0152 0.57 0.261 0.0089 0.41 0.6889 0.987 3084551 TimTec1_004480 CCOC(=O)c1c(O)c(Cl)c(C)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L15 compound treatment 0.26 0.0112 0.42 0.262 0.0099 0.45 0.6161 0.9992 1150863 TimTec1_004481 CCOC(=O)c1c(C)c([nH]c1CN2CCOCC2)C(=O)OCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L16 compound treatment 0.26 0.0112 0.42 0.258 0.0059 0.27 0.4866 0.9778 3212800 TimTec1_004482 CC(=O)N1N=C(CC1c2ccc(F)cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L17 compound treatment 0.268 0.0192 0.72 0.266 0.0139 0.64 0.956 0.9983 1417256 TimTec1_004483 OCCNC(=O)c1c2CCCCc2nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L18 compound treatment 0.28 0.0312 1.16 0.282 0.0299 1.37 1.7896 0.9967 1332505 TimTec1_004484 NNc1nnc2c3ccccc3[nH]c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L19 compound treatment 0.256 0.00723 0.27 0.257 0.0049 0.22 0.349 0.996 1647319 TimTec1_004485 COc1ccc(cc1)C2OC(=O)Cc3cc(OC)c(OC)cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L20 compound treatment 0.321 0.0722 2.69 0.347 0.0949 4.35 4.9724 0.9733 3084552 TimTec1_004486 O=c1nc(SCCOc2ccccc2)[nH]c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L21 compound treatment 0.434 0.185 6.89 0.491 0.239 10.94 12.6066 0.9752 3212801 TimTec1_004487 CC(=O)Nc1ccc2nc(C)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L22 compound treatment 0.271 0.0222 0.83 0.288 0.0359 1.64 1.7472 0.9495 1262531 TimTec1_004488 Nc1nonc1c2noc(n2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L23 mock treatment 0.258 0.00923 0.34 0.259 0.0069 0.32 0.4663 0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 L24 mock treatment 0.26 0.0112 0.42 0.256 0.0039 0.18 0.4218 0.9282 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M01 compound treatment 0.256 0.00723 0.27 0.255 0.0029 0.13 0.2842 0.9472 3212802 TimTec1_004489 CCCc1c(C#N)c(N)[nH]c(=S)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M02 compound treatment 0.315 0.0662 2.46 0.315 0.0629 2.88 3.7786 0.997 3084553 TimTec1_004490 N#Cc1ccc(nc1SCc2ccncc2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M03 compound treatment 0.254 0.00523 0.19 0.252 -9.68E-5 0.0 0.1345 0.6908 1912735 TimTec1_004491 CCSc1nc(C)cc(COC)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M04 compound treatment 0.257 0.00823 0.31 0.257 0.0049 0.22 0.3753 0.9883 1677912 TimTec1_004492 OC(C1CCCN1Cc2ccccc2)(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M05 compound treatment 0.262 0.0132 0.49 0.26 0.0079 0.36 0.6039 0.9886 1303390 TimTec1_004493 CNC(=O)C(NS(=O)(=O)c1ccc(C)cc1)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M06 compound treatment 0.264 0.0152 0.57 0.259 0.0069 0.32 0.6242 0.962 1611737 TimTec1_004494 CC1CN(C)CC(C1)(OC(=O)C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M07 compound treatment 0.254 0.00523 0.19 0.254 0.0019 0.09 0.1993 0.9343 1011962 TimTec1_004495 OC(=O)CCC(=O)Nc1ccc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M08 compound treatment 0.257 0.00823 0.31 0.257 0.0049 0.22 0.3753 0.9883 1708192 TimTec1_004496 CCOC(=O)c1[nH]c(C)c(C(=O)C(C)C)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M09 compound treatment 0.255 0.00623 0.23 0.256 0.0039 0.18 0.2903 0.9917 1647225 TimTec1_004497 CC1CCN(CC1)c2nc(nc(n2)N3CCC(C)CC3)N4CCC(C)CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M10 compound treatment 0.238 -0.0108 -0.4 0.239 -0.0131 -0.6 -0.7072 -0.9807 3212803 TimTec1_004498 COc1cccc(OCCNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M11 compound treatment 0.258 0.00923 0.34 0.259 0.0069 0.32 0.4663 0.9991 3084554 TimTec1_004499 Oc1ccccc1/C=N/c2nc[nH]n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M12 compound treatment 0.293 0.0442 1.65 0.302 0.0499 2.28 2.7791 0.987 3212804 TimTec1_004500 CCSc1nsc(SCC)c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M13 compound treatment 0.264 0.0152 0.57 0.254 0.0019 0.09 0.4623 0.8064 3212805 TimTec1_004501 CSc1nnc2n(/N=C/c3cc4OCOc4cc3Br)cnn12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M14 compound treatment 0.261 0.0122 0.46 0.26 0.0079 0.36 0.5776 0.9936 1631850 TimTec1_004502 O=c1[nH]cc(COCc2ccccc2)c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M15 compound treatment 0.256 0.00723 0.27 0.258 0.0059 0.27 0.3814 1.0 1119024 TimTec1_004503 CC(C)(C)NC1=CC(=O)OC21CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M16 compound treatment 0.259 0.0102 0.38 0.256 0.0039 0.18 0.3955 0.9406 3212806 TimTec1_004504 COC(=O)c1cccc(NC(=O)COC(=O)CSc2nc(C)cc(C)n2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M17 compound treatment 0.328 0.0792 2.95 0.319 0.0669 3.06 4.25 0.9998 3212807 TimTec1_004505 NC(=O)CSc1nsc(SCc2ccc(Cl)cc2)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M18 compound treatment 0.258 0.00923 0.34 0.256 0.0039 0.18 0.3692 0.9537 1558723 TimTec1_004506 CC(=O)NC(Cc1ccc(F)cc1)C(=O)OCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M19 compound treatment 0.25 0.00123 0.05 0.256 0.0039 0.18 0.1588 0.8607 1121754 TimTec1_004507 CCOC(=O)c1cnn(CC2CCCCC2)c1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M20 compound treatment 0.257 0.00823 0.31 0.258 0.0059 0.27 0.4077 0.9981 1392807 TimTec1_004508 O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC3CCCCC3)C(c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M21 compound treatment 0.254 0.00523 0.19 0.255 0.0029 0.13 0.2316 0.9827 3084555 TimTec1_004509 CSc1nc2ccc(/N=C/c3ccc(Sc4nnnn4c5ccccc5)o3)cc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M22 compound treatment 0.281 0.0322 1.2 0.287 0.0349 1.6 1.9778 0.99 1691433 TimTec1_004510 Clc1ccc(NC(=O)C2C3CCC=CCCC23)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M23 mock treatment 0.257 0.00823 0.31 0.258 0.0059 0.27 0.4077 0.9981 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 M24 mock treatment 0.246 -0.00277 -0.1 0.251 -0.0011 -0.05 -0.1083 -0.9456 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N01 compound treatment 0.276 0.0272 1.01 0.272 0.0199 0.91 1.3607 0.9986 3084556 TimTec1_004511 FC(F)(F)c1ccccc1/C=C\2/SC(=N)NC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N02 compound treatment 0.25 0.00123 0.05 0.249 -0.0031 -0.14 -0.0678 -0.4551 1558366 TimTec1_004512 O=C(N1CCCCCC1)c2cc3ccccc3c(=O)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N03 compound treatment 0.256 0.00723 0.27 0.257 0.0049 0.22 0.349 0.996 1395140 TimTec1_004513 Cc1ccc2[nH]c(SCC(=O)O)nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N04 compound treatment 0.301 0.0522 1.94 0.282 0.0299 1.37 2.3419 0.9853 3212808 TimTec1_004514 Clc1c(sc2ccccc12)C(=O)n3cccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N05 compound treatment 0.262 0.0132 0.49 0.253 9.03E-4 0.04 0.3773 0.7638 3084561 TimTec1_004515 Cc1nn(C(=O)Cc2ccc(Cl)cc2)c(C)c1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N06 compound treatment 0.269 0.0202 0.75 0.261 0.0089 0.41 0.8204 0.9585 1622238 TimTec1_004516 Nc1ccc(cc1F)c2nnn[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N07 compound treatment 0.262 0.0132 0.49 0.256 0.0039 0.18 0.4744 0.906 3084563 TimTec1_004517 CCNc1nnc(CSc2nc3ccccc3s2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N08 compound treatment 0.271 0.0222 0.83 0.269 0.0169 0.77 1.132 0.9995 1261617 TimTec1_004518 CC(=C)CSC1=C(C#N)C(C)(C)C(C#N)C(=O)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N09 compound treatment 0.267 0.0182 0.68 0.262 0.0099 0.45 0.8002 0.9808 3212888 TimTec1_004519 COc1cccc(c1)C2C(=C(N)Oc3c2c(C)nn3c4ccccc4)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N10 compound treatment 0.245 -0.00377 -0.14 0.239 -0.0131 -0.6 -0.5231 -0.8494 1151574 TimTec1_004520 COc1cccc(c1)N2C(=O)NC(=O)C(CCc3ccncc3)(CCc4ccncc4)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N11 compound treatment 0.254 0.00523 0.19 0.253 9.03E-4 0.04 0.1669 0.8386 3212889 TimTec1_004521 CCOC1CC(C)(C)NC(=S)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N12 compound treatment 0.251 0.00223 0.08 0.253 9.03E-4 0.04 0.088 0.9481 1367122 TimTec1_004522 OC1CCN(C2CCCCC12)S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N13 compound treatment 0.27 0.0212 0.79 0.267 0.0149 0.68 1.041 0.9973 1402632 TimTec1_004523 CCCn1c(nc2ccccc12)c3nonc3N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N14 compound treatment 0.26 0.0112 0.42 0.261 0.0089 0.41 0.5837 0.9999 1157736 TimTec1_004524 CCOC(=O)c1cc(C(=O)NC(C)c2ccccc2)c(C)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N15 compound treatment 0.202 -0.0468 -1.74 0.217 -0.0351 -1.61 -2.3663 -0.9992 1611714 TimTec1_004525 COC(=O)C(C(=O)OC)c1ccc(C#N)c(C#N)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N16 compound treatment 0.272 0.0232 0.86 0.269 0.0169 0.77 1.1583 0.9985 3212890 TimTec1_004526 COc1ccc(cc1)N(/N=C/2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N17 compound treatment 0.257 0.00823 0.31 0.258 0.0059 0.27 0.4077 0.9981 1271644 TimTec1_004527 OC1(CSC2=C(C#N)C(CC(=O)N21)c3cccs3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N18 compound treatment 0.271 0.0222 0.83 0.269 0.0169 0.77 1.132 0.9995 1486726 TimTec1_004528 CCCS(=O)(=O)c1c(C(=O)c2ccc(C)cc2)n3cccc(N)c3c1S(=O)(=O)CCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N19 compound treatment 0.26 0.0112 0.42 0.256 0.0039 0.18 0.4218 0.9282 3084570 TimTec1_004529 Cc1nnnn1CC(=O)Nc2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N20 compound treatment 0.257 0.00823 0.31 0.252 -9.68E-5 0.0 0.2134 0.6968 1252602 TimTec1_004530 COc1ccc(Br)cc1S(=O)(=O)NCc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N21 compound treatment 0.247 -0.00177 -0.07 0.252 -9.68E-5 0.0 -0.0496 -0.7531 3212891 TimTec1_004531 CCOC(=O)C1=C(OC(=C(C#N)C1c2ccc(F)cc2)N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N22 compound treatment 0.25 0.00123 0.05 0.252 -9.68E-5 0.0 0.0293 0.6358 1565486 TimTec1_004532 COc1cc(Oc2ccccc2CC=C)nc(N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N23 mock treatment 0.255 0.00623 0.23 0.253 9.03E-4 0.04 0.1932 0.8203 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 N24 mock treatment 0.239 -0.00977 -0.36 0.252 -9.68E-5 0.0 -0.26 -0.7157 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O01 compound treatment 0.241 -0.00777 -0.29 0.239 -0.0131 -0.6 -0.6283 -0.9439 1618653 TimTec1_004533 Cc1ccc(cc1C)C(=O)c2cccc(N)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O02 compound treatment 0.249 2.33E-4 0.01 0.244 -0.0081 -0.37 -0.256 -0.6904 3212892 TimTec1_004534 COC(=O)c1c(C)[nH]c(C)c1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O03 compound treatment 0.251 0.00223 0.08 0.26 0.0079 0.36 0.3146 0.8474 3084586 TimTec1_004535 CSc1nnc2n(/N=C/c3c[nH]c4ccccc34)cnn12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O04 compound treatment 0.251 0.00223 0.08 0.244 -0.0081 -0.37 -0.2034 -0.5354 3212893 TimTec1_004536 NC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O05 compound treatment 0.255 0.00623 0.23 0.255 0.0029 0.13 0.2579 0.9651 1780136 TimTec1_004537 CCOC(=O)c1c(C)cc(C)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O06 compound treatment 0.259 0.0102 0.38 0.252 -9.68E-5 0.0 0.266 0.6988 1363495 TimTec1_004538 CN(Cn1nc(O)ccc1=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O07 compound treatment 0.273 0.0242 0.9 0.263 0.0109 0.5 0.9904 0.9612 3084613 TimTec1_004539 NC1=NN(CC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O08 compound treatment 0.457 0.208 7.75 0.438 0.186 8.51 11.4956 0.9989 1493858 TimTec1_004540 COc1ccc(cc1OC)C2=C(N)C(=O)NC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O09 compound treatment 0.249 2.33E-4 0.01 0.254 0.0019 0.09 0.0678 0.7737 3212894 TimTec1_004541 Cc1ccccc1/C=N/N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O10 compound treatment 0.32 0.0712 2.65 0.317 0.0649 2.97 3.9748 0.9984 1029950 TimTec1_004542 CN(C)c1ccc(cc1)C(=NO)c2ccc(cc2)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O11 compound treatment 0.249 2.33E-4 0.01 0.246 -0.0061 -0.28 -0.1913 -0.6848 1641866 TimTec1_004543 Cc1cc(C)c(cc1S(=O)(=O)N)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O12 compound treatment 0.314 0.0652 2.43 0.31 0.0579 2.65 3.5904 0.999 3212895 TimTec1_004544 O=C(CSc1ccccn1)Nc2sc3CCCCc3c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O13 compound treatment 0.257 0.00823 0.31 0.249 -0.0031 -0.14 0.1163 0.3446 3084617 TimTec1_004545 O=C(CSc1ncn[nH]1)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O14 compound treatment 0.255 0.00623 0.23 0.252 -9.68E-5 0.0 0.1608 0.6935 1421449 TimTec1_004546 NC(=O)Cc1ccc(NC(=O)CCC(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O15 compound treatment 0.248 -7.67E-4 -0.03 0.257 0.0049 0.22 0.1386 0.6124 1919218 TimTec1_004547 OC(=O)CCCC(=O)Nc1cccc(c1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O16 compound treatment 0.296 0.0472 1.76 0.287 0.0349 1.6 2.3723 0.9989 3084620 TimTec1_004548 FC(F)(F)c1cccc(c1)N2CCN(CC2)C(=S)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O17 compound treatment 0.265 0.0162 0.6 0.257 0.0049 0.22 0.5857 0.9092 1239543 TimTec1_004549 O=C(CSc1nc2ccccc2o1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O18 compound treatment 0.257 0.00823 0.31 0.255 0.0029 0.13 0.3105 0.9302 1529100 TimTec1_004550 CCn1cc(c(C#N)c1NC(=O)C)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O19 compound treatment 0.252 0.00323 0.12 0.249 -0.0031 -0.14 -0.0152 -0.0819 3084622 TimTec1_004551 Clc1ccc(OCCNC(=O)c2cccs2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O20 compound treatment 0.253 0.00423 0.16 0.255 0.0029 0.13 0.2053 0.9965 1322941 TimTec1_004552 Cc1cc(C)n(NC2=CC(=O)CC(C)(C)C2)c(=O)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O21 compound treatment 0.27 0.0212 0.79 0.293 0.0409 1.87 1.8828 0.9263 3212896 TimTec1_004553 CCN/C(=N/CC)/SC1CC(=O)N(C1=O)c2ccc(OCC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O22 compound treatment 0.255 0.00623 0.23 0.256 0.0039 0.18 0.2903 0.9917 3084625 TimTec1_004554 Nc1nc(nc2c3ccccc3oc(=O)c12)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O23 mock treatment 0.252 0.00323 0.12 0.256 0.0039 0.18 0.2114 0.9814 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 O24 mock treatment 0.22 -0.0288 -1.07 0.245 -0.0071 -0.32 -0.9864 -0.8821 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P01 compound treatment 0.239 -0.00977 -0.36 0.252 -9.68E-5 0.0 -0.26 -0.7157 1465751 TimTec1_004555 O=C(Cc1ccccc1)Nc2ccc3oc(nc3c2)c4ccncc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P02 compound treatment 0.243 -0.00577 -0.21 0.236 -0.0161 -0.74 -0.6728 -0.8765 1350858 TimTec1_004556 Cc1cccc(C)c1N2CCc3cn[nH]c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P03 compound treatment 0.241 -0.00777 -0.29 0.245 -0.0071 -0.32 -0.434 -0.9983 1593678 TimTec1_004557 COc1ccc(CCC(O)C2(O)CCCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P04 compound treatment 0.241 -0.00777 -0.29 0.242 -0.0101 -0.46 -0.5312 -0.9744 1664967 TimTec1_004558 Clc1ccc(NC(=O)CC2SCCNC2=O)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P05 compound treatment 0.252 0.00323 0.12 0.249 -0.0031 -0.14 -0.0152 -0.0819 1438867 TimTec1_004559 O=C1N(CC2CCCO2)C(=O)c3cc(ccc13)c4nc5ccccc5c(=O)o4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P06 compound treatment 0.25 0.00123 0.05 0.249 -0.0031 -0.14 -0.0678 -0.4551 1740022 TimTec1_004560 CC1CN(Cn2nc(c3ccccc3)n(CC=C)c2=S)CC(C)O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P07 compound treatment 0.246 -0.00277 -0.1 0.24 -0.0121 -0.55 -0.4644 -0.8244 1430817 TimTec1_004561 O=C(CSCc1ccccc1)Nc2nnc(Cc3ccccc3)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P08 compound treatment 0.245 -0.00377 -0.14 0.244 -0.0081 -0.37 -0.3612 -0.9114 1573254 TimTec1_004562 CC(CN1CCNCC1)(NS(=O)(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P09 compound treatment 0.245 -0.00377 -0.14 0.241 -0.0111 -0.51 -0.4583 -0.8696 1431707 TimTec1_004563 COc1cc2C(CC(=O)Nc3ccccc3)C(=O)N(N=C(C)c2cc1OC)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P10 compound treatment 0.237 -0.0118 -0.44 0.235 -0.0171 -0.78 -0.863 -0.9623 1386480 TimTec1_004564 CC(C)CNC(=O)c1cccc(NC(=O)CC(C)C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P11 compound treatment 0.241 -0.00777 -0.29 0.244 -0.0081 -0.37 -0.4664 -0.9924 3212897 TimTec1_004565 C=CC/N=C(\SCc1ccccc1)/N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P12 compound treatment 0.24 -0.00877 -0.33 0.253 9.03E-4 0.04 -0.2013 -0.6125 1213970 TimTec1_004566 CC(=O)Oc1coc2ccc3c(C)cc(=O)oc3c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P13 compound treatment 0.265 0.0162 0.6 0.257 0.0049 0.22 0.5857 0.9092 1578888 TimTec1_004567 Clc1ccc(cc1)C(NC(=O)c2ccccc2Cl)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P14 compound treatment 0.287 0.0382 1.42 0.291 0.0389 1.78 2.2651 0.9938 1291706 TimTec1_004568 COC(=O)C1=C(C)NC(=C(C#N)C1c2cccnc2)S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P15 compound treatment 0.258 0.00923 0.34 0.241 -0.0111 -0.51 -0.1164 -0.1898 3212898 TimTec1_004569 CCSc1cccc2cccnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P16 compound treatment 0.254 0.00523 0.19 0.251 -0.0011 -0.05 0.1021 0.508 1230586 TimTec1_004570 CC(=O)Nc1cc2c(C)cc(=O)oc2c3C(=O)COc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P17 compound treatment 0.244 -0.00477 -0.18 0.255 0.0029 0.13 -0.0314 -0.1416 3085776 TimTec1_004571 CCc1nnc(NC(=O)COC(=O)CSc2nc(cc(n2)c3ccccc3)c4ccccc4)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P18 compound treatment 0.241 -0.00777 -0.29 0.229 -0.0231 -1.06 -0.9521 -0.8684 1673944 TimTec1_004572 Cc1nn2cc(nc2s1)c3ccc(N)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P19 compound treatment 0.246 -0.00277 -0.1 0.24 -0.0121 -0.55 -0.4644 -0.8244 3212899 TimTec1_004573 O=C(CSC1=NC(=O)C(Cc2ccccc2)C(=O)N1)NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P20 compound treatment 0.246 -0.00277 -0.1 0.25 -0.0021 -0.1 -0.1407 -0.9994 3085777 TimTec1_004574 CCOC(=O)C1NCCc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P21 compound treatment 0.253 0.00423 0.16 0.242 -0.0101 -0.46 -0.2156 -0.4414 1311348 TimTec1_004575 CCC(=O)Oc1ccc2c3CCCc3c(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P22 compound treatment 0.247 -0.00177 -0.07 0.241 -0.0111 -0.51 -0.4057 -0.792 1265079 TimTec1_004576 COc1ccc2nc(C)c3CC(C)Oc3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P23 mock treatment 0.219 -0.0298 -1.11 0.231 -0.0211 -0.97 -1.4659 -0.9977 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2075 P24 mock treatment 0.197 -0.0518 -1.93 0.214 -0.0381 -1.74 -2.5949 -0.9988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A01 compound treatment 0.205 -0.0447 -1.66 0.198 -0.0486 -2.22 -2.7472 -0.9897 3212900 TimTec1_004577 Cc1n[nH]c(O)c1CCCOc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A02 compound treatment 0.238 -0.0117 -0.43 0.225 -0.0216 -0.99 -1.0051 -0.9318 3085778 TimTec1_004578 Cc1cc(Sc2ccccn2)c3ccccc3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A03 compound treatment 0.238 -0.0117 -0.43 0.228 -0.0186 -0.85 -0.908 -0.9513 3212901 TimTec1_004579 [O-][n+]1onc2c(nnc(c3ccc(Cl)cc3)c12)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A04 compound treatment 0.235 -0.0147 -0.55 0.24 -0.00657 -0.3 -0.5984 -0.9606 3085779 TimTec1_004580 NC(=O)CSc1nc(N)cc(N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A05 compound treatment 0.242 -0.00767 -0.29 0.24 -0.00657 -0.3 -0.4142 -0.9996 3212902 TimTec1_004581 Cc1ccc(cc1)c2cc(n3nc(cc3n2)C(=O)N4CCN(CC4)c5ccccc5)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A06 compound treatment 0.242 -0.00767 -0.29 0.24 -0.00657 -0.3 -0.4142 -0.9996 3085780 TimTec1_004582 COc1ccc(cc1OC)C2C(C(=O)NC(=C2C#N)O)[n+]3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A07 compound treatment 0.232 -0.0177 -0.66 0.23 -0.0166 -0.76 -1.001 -0.9974 3211405 TimTec1_004583 CN1C(=O)CCN(C=O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A08 compound treatment 0.231 -0.0187 -0.69 0.225 -0.0216 -0.99 -1.1892 -0.9851 1392481 TimTec1_004584 CCC(=O)Nc1c(C)c(Cl)c(C)nc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A09 compound treatment 0.228 -0.0217 -0.81 0.236 -0.0106 -0.48 -0.912 -0.9702 3211202 TimTec1_004585 CC(=O)NC1C(=O)NC(=NC1=O)SCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A10 compound treatment 0.23 -0.0197 -0.73 0.221 -0.0256 -1.17 -1.345 -0.9744 1665015 TimTec1_004586 OC1=C(C(=O)c2ccccc2)C3(OC1=O)C(=O)NC(=O)NC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A11 compound treatment 0.241 -0.00867 -0.32 0.233 -0.0136 -0.62 -0.6672 -0.9533 1224645 TimTec1_004587 COc1ccc(NC(=S)N(CC2CCCO2)CC3CCC=CC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A12 compound treatment 0.243 -0.00667 -0.25 0.238 -0.00857 -0.39 -0.4527 -0.9755 1534543 TimTec1_004588 Cc1nc(C(=O)N)c(N)n1CCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A13 compound treatment 0.242 -0.00767 -0.29 0.236 -0.0106 -0.48 -0.5438 -0.9682 3211203 TimTec1_004589 OC(=O)C1CCCCC1C(=O)Nc2ccc3[nH]c(=S)sc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A14 compound treatment 0.236 -0.0137 -0.51 0.238 -0.00857 -0.39 -0.6368 -0.9918 1303334 TimTec1_004590 CCC1(C)OC(=O)N(CCc2c(C)[nH]c3ccccc23)C1(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A15 compound treatment 0.234 -0.0157 -0.58 0.236 -0.0106 -0.48 -0.7542 -0.9957 1738265 TimTec1_004591 CC1(C)CC(CC(C)(C)N1)N2C(=O)c3ccccc3C2(O)Cc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A16 compound treatment 0.239 -0.0107 -0.4 0.229 -0.0176 -0.8 -0.8493 -0.947 1544216 TimTec1_004592 O=C1Nc2nonc2NC(=C1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A17 compound treatment 0.241 -0.00867 -0.32 0.242 -0.00457 -0.21 -0.3758 -0.978 1580828 TimTec1_004593 OCC1COC(=O)N1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A18 compound treatment 0.235 -0.0147 -0.55 0.242 -0.00457 -0.21 -0.5336 -0.9133 3211204 TimTec1_004594 CN1CCN(CC1)n/2c(cs\c2=N/c3ccccc3)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A19 compound treatment 0.283 0.0333 1.24 0.275 0.0284 1.3 1.7973 0.9997 3085781 TimTec1_004595 CCCn1c2ccccc2c3nnc(SCCNS(=O)(=O)c4ccccc4)nc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A20 compound treatment 0.229 -0.0207 -0.77 0.229 -0.0176 -0.8 -1.1123 -0.9997 1295244 TimTec1_004596 COc1ccc(cc1OC)S(=O)(=O)NCCN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A21 compound treatment 0.242 -0.00767 -0.29 0.239 -0.00757 -0.35 -0.4466 -0.9953 1339032 TimTec1_004597 O=S1(=O)N=C(Oc2ccccc2)c3ccccc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A22 compound treatment 0.232 -0.0177 -0.66 0.241 -0.00557 -0.25 -0.6449 -0.915 3211205 TimTec1_004598 COc1ccc(cc1)n2c(=O)c3c4CC(OCc4sc3n5cnnc25)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A23 mock treatment 0.226 -0.0237 -0.88 0.222 -0.0246 -1.12 -1.4178 -0.9926 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 A24 mock treatment 0.182 -0.0677 -2.52 0.179 -0.0676 -3.09 -3.9673 -0.9948 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B01 compound treatment 0.251 0.00133 0.05 0.215 -0.0316 -1.45 -0.9869 -0.6824 1180956 TimTec1_004599 CC(=O)Nc1cccc(C(=O)Oc2cccc(C)c2)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B02 compound treatment 0.261 0.0113 0.42 0.263 0.0164 0.75 0.8301 0.9625 3211206 TimTec1_004600 CC(C)OC(=O)COc1ccc2C(CC3(CC(C)(C)NC(=O)N3)Oc2c1)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B03 compound treatment 0.266 0.0163 0.61 0.267 0.0204 0.94 1.0911 0.9781 3085782 TimTec1_004601 O=S1(=O)N(Cc2ccccn2)c3cccc4cccc1c34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B04 compound treatment 0.336 0.0863 3.21 0.345 0.0984 4.51 5.4576 0.9862 3211207 TimTec1_004602 Cc1nn(c(N)c1c2ccc(Cl)cc2)c3nc4ccccc4[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B05 compound treatment 0.28 0.0303 1.13 0.283 0.0364 1.67 1.9774 0.9819 3085783 TimTec1_004603 OC1COC(NCCc2ccccc2)C(O)C1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B06 compound treatment 0.263 0.0133 0.5 0.261 0.0144 0.66 0.818 0.99 1409204 TimTec1_004604 N(c1ccccc1)c2nc3nonc3nc2Nc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B07 compound treatment 0.255 0.00533 0.2 0.254 0.00743 0.34 0.3809 0.967 3211208 TimTec1_004605 FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2c3ccccc3)c4ccncc4)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B08 compound treatment 0.261 0.0113 0.42 0.261 0.0144 0.66 0.7654 0.9764 3085788 TimTec1_004606 CN1C2NCN(CCc3ccccc3)CC2C(=O)N(C)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B09 compound treatment 0.263 0.0133 0.5 0.263 0.0164 0.75 0.8827 0.9795 3211209 TimTec1_004607 CCOc1ccc(Cn2nnc(n2)c3ccc(cc3)S(=O)(=O)C)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B10 compound treatment 0.291 0.0413 1.54 0.288 0.0414 1.9 2.4286 0.9946 1264288 TimTec1_004608 CN(NC1=C(C)CN(C2CCCCC2)C1=O)c3cccc(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B11 compound treatment 0.26 0.0103 0.38 0.259 0.0124 0.57 0.6743 0.9817 3211210 TimTec1_004609 OCC1OC(C(O)C1O)n2ccc(O)nc2=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B12 compound treatment 0.26 0.0103 0.38 0.262 0.0154 0.71 0.7715 0.959 1629862 TimTec1_004610 OC1=C(Cc2ccccc2)CN(Cc3ccccc3)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B13 compound treatment 0.256 0.00633 0.24 0.258 0.0114 0.52 0.5367 0.935 3211211 TimTec1_004611 CCCCc1ccc2nc3sc(cc3cc2c1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B14 compound treatment 0.253 0.00333 0.12 0.254 0.00743 0.34 0.3283 0.9064 3085792 TimTec1_004612 CC1(C)CC(=O)OC(C1)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B15 compound treatment 0.237 -0.0127 -0.47 0.236 -0.0106 -0.48 -0.6753 -0.9999 3211212 TimTec1_004613 CCCCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B16 compound treatment 0.251 0.00133 0.05 0.255 0.00843 0.39 0.3081 0.7914 3211213 TimTec1_004614 FC(F)(F)C(=O)Nc1ccccc1C(=O)NCc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B17 compound treatment 0.281 0.0313 1.17 0.278 0.0314 1.44 1.8418 0.9945 3085794 TimTec1_004615 CC(C)Nc1nc(nc(n1)n2ccnc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B18 compound treatment 0.259 0.00933 0.35 0.258 0.0114 0.52 0.6156 0.9801 3085836 TimTec1_004616 O=CN1CCN(CC1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B19 compound treatment 0.261 0.0113 0.42 0.263 0.0164 0.75 0.8301 0.9625 3085838 TimTec1_004617 N(c1cccc2ccccc12)c3nc(nc(n3)n4ccnc4)n5ccnc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B20 compound treatment 0.252 0.00233 0.09 0.25 0.00343 0.16 0.1725 0.9608 1599768 TimTec1_004618 COC(=O)C1C(c2cc(OC)c(OC)cc2C1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B21 compound treatment 0.259 0.00933 0.35 0.259 0.0124 0.57 0.648 0.9719 3085840 TimTec1_004619 CC(C)(O)c1nnn(Cc2ccccc2)c1C(C)(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B22 compound treatment 0.25 3.33E-4 0.01 0.252 0.00543 0.25 0.1847 0.7414 1176863 TimTec1_004620 Cc1ncsc1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B23 mock treatment 0.255 0.00533 0.2 0.255 0.00843 0.39 0.4133 0.9521 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 B24 mock treatment 0.242 -0.00767 -0.29 0.236 -0.0106 -0.48 -0.5438 -0.9682 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C01 compound treatment 0.235 -0.0147 -0.55 0.23 -0.0166 -0.76 -0.9221 -0.9869 3085842 TimTec1_004621 O=C(N/C(=C(\Sc1ccccn1)/c2ccccc2)/C(=O)N3CCOCC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C02 compound treatment 0.243 -0.00667 -0.25 0.244 -0.00257 -0.12 -0.2584 -0.9418 3211214 TimTec1_004622 N#Cc1ccc(CSc2ncccn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C03 compound treatment 0.249 -6.67E-4 -0.02 0.25 0.00343 0.16 0.0936 0.5883 1239016 TimTec1_004623 COc1ccc(C(=O)Nc2ccncc2)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C04 compound treatment 0.244 -0.00567 -0.21 0.243 -0.00357 -0.16 -0.2645 -0.992 1306638 TimTec1_004624 COc1ccc(cc1OC)C(=O)CSC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C05 compound treatment 0.241 -0.00867 -0.32 0.241 -0.00557 -0.25 -0.4082 -0.9932 3085845 TimTec1_004625 CN1C(OC(=O)C)C(OC(=O)C)N(C)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C06 compound treatment 0.247 -0.00267 -0.1 0.247 4.33E-4 0.02 -0.0561 -0.5547 1689037 TimTec1_004626 CC(=O)Nc1ccc(cc1)C2N3CCCN23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C07 compound treatment 0.24 -0.00967 -0.36 0.242 -0.00457 -0.21 -0.4021 -0.9667 1384622 TimTec1_004627 C=CCN1C(=O)CCNc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C08 compound treatment 0.258 0.00833 0.31 0.255 0.00843 0.39 0.4922 0.9941 1104469 TimTec1_004628 Cc1cc(Cl)nc(Cl)c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C09 compound treatment 0.244 -0.00567 -0.21 0.24 -0.00657 -0.3 -0.3616 -0.9849 1540410 TimTec1_004629 Brc1ccc(o1)C(=O)NC2C3CC4CC(C3)CC2C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C10 compound treatment 0.247 -0.00267 -0.1 0.244 -0.00257 -0.12 -0.1532 -0.9964 3085848 TimTec1_004630 C1CCN2C(C3N4CCCCN34)N2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C11 compound treatment 0.239 -0.0107 -0.4 0.238 -0.00857 -0.39 -0.5579 -1.0 1554188 TimTec1_004631 CCOC(=O)C1(CCN(CCOc2ccccc2)CC1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C12 compound treatment 0.252 0.00233 0.09 0.255 0.00843 0.39 0.3344 0.845 1287126 TimTec1_004632 O=S(Cc1ccccc1)c2cc(Oc3ccccc3)ccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C13 compound treatment 0.294 0.0443 1.65 0.295 0.0484 2.22 2.7341 0.9894 3211215 TimTec1_004633 O=C/1N2C(=C\C1=C/N3CCCCC3)C(=O)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C14 compound treatment 0.246 -0.00367 -0.14 0.247 4.33E-4 0.02 -0.0824 -0.5979 1182870 TimTec1_004634 CCCc1cc2c3ccccc3oc(=O)c2c(NC(=O)C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C15 compound treatment 0.243 -0.00667 -0.25 0.244 -0.00257 -0.12 -0.2584 -0.9418 1129282 TimTec1_004635 OC(=O)C1CC(=O)CCC1Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C16 compound treatment 0.252 0.00233 0.09 0.251 0.00443 0.2 0.2049 0.9282 1342925 TimTec1_004636 COc1nc(Cl)nc(n1)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C17 compound treatment 0.254 0.00433 0.16 0.254 0.00743 0.34 0.3546 0.9417 3211216 TimTec1_004637 OC(=O)c1ccc(/C=C/2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C18 compound treatment 0.25 3.33E-4 0.01 0.25 0.00343 0.16 0.1199 0.7605 1658196 TimTec1_004638 CCCCc1c(C)nc2ccc(Br)cc2c1SCCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C19 compound treatment 0.241 -0.00867 -0.32 0.24 -0.00657 -0.3 -0.4405 -0.9994 1175416 TimTec1_004639 CC(=O)NC(C)(C)COc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C20 compound treatment 0.248 -0.00167 -0.06 0.246 -5.67E-4 -0.03 -0.0622 -0.9253 1184099 TimTec1_004640 CC1(C)CC(CC(C)(C)N1)NC(=O)c2cc[nH]n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C21 compound treatment 0.244 -0.00567 -0.21 0.242 -0.00457 -0.21 -0.2969 -1.0 3085855 TimTec1_004641 CC1=CC(C)(C)NC(=S)N1CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C22 compound treatment 0.244 -0.00567 -0.21 0.243 -0.00357 -0.16 -0.2645 -0.992 1171271 TimTec1_004642 O=C(NN1C(=O)c2ccccc2NC31CCCC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C23 mock treatment 0.243 -0.00667 -0.25 0.241 -0.00557 -0.25 -0.3556 -0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 C24 mock treatment 0.227 -0.0227 -0.84 0.23 -0.0166 -0.76 -1.1325 -0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D01 compound treatment 0.247 -0.00267 -0.1 0.244 -0.00257 -0.12 -0.1532 -0.9964 1550109 TimTec1_004643 Cc1oc(C)c(C(=O)O)c1CN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D02 compound treatment 0.253 0.00333 0.12 0.254 0.00743 0.34 0.3283 0.9064 3085895 TimTec1_004644 Clc1ccc2oc3c(=O)oc(nc3c2c1)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D03 compound treatment 0.258 0.00833 0.31 0.258 0.0114 0.52 0.5893 0.9687 3211406 TimTec1_004645 O=C(NC(=O)c1ccccc1)OC2CCS(=O)(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D04 compound treatment 0.255 0.00533 0.2 0.254 0.00743 0.34 0.3809 0.967 3211407 TimTec1_004646 OC(=O)CC(NC(=O)C1(CC2CC3CC(C2)C1)C3)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D05 compound treatment 0.255 0.00533 0.2 0.259 0.0124 0.57 0.5428 0.9004 3085898 TimTec1_004647 CN(C1CC(C)(C)NC(C)(C)C1)C(=O)c2ccccc2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D06 compound treatment 0.25 3.33E-4 0.01 0.25 0.00343 0.16 0.1199 0.7605 1913187 TimTec1_004648 CSc1sc(SC)c(C[n+]2ccccc2)c1C[n+]3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D07 compound treatment 0.262 0.0123 0.46 0.264 0.0174 0.8 0.8888 0.9654 3085900 TimTec1_004649 Cc1cc(NC(=O)NC(=O)c2cccs2)n[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D08 compound treatment 0.258 0.00833 0.31 0.259 0.0124 0.57 0.6217 0.9592 1392952 TimTec1_004650 COc1ccc(cc1)N2CC(CC2=O)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D09 compound treatment 0.252 0.00233 0.09 0.253 0.00643 0.29 0.2697 0.8781 3211408 TimTec1_004651 Cc1cn(CC(=O)NCCN)c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D10 compound treatment 0.282 0.0323 1.2 0.283 0.0364 1.67 2.03 0.9871 1692385 TimTec1_004652 CN(Nc1ccccc1)C2=C(CN(C3CCCCC3)C2=O)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D11 compound treatment 0.255 0.00533 0.2 0.254 0.00743 0.34 0.3809 0.967 3211409 TimTec1_004653 Cc1cc(=O)[nH]c2nn(c(O)c12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D12 compound treatment 0.256 0.00633 0.24 0.257 0.0104 0.48 0.5044 0.9469 3085903 TimTec1_004654 CCOC(=O)C1=C(O)CN(C)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D13 compound treatment 0.258 0.00833 0.31 0.252 0.00543 0.25 0.3951 0.9941 3211410 TimTec1_004655 Cc1nn(C(=O)c2ccc(F)cc2)c(N)c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D14 compound treatment 0.255 0.00533 0.2 0.255 0.00843 0.39 0.4133 0.9521 3085905 TimTec1_004656 CCn1ncc(Cl)c(Cl)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D15 compound treatment 0.308 0.0583 2.17 0.293 0.0464 2.13 3.0376 0.9999 3211411 TimTec1_004657 COc1cc(C)c(cc1C(C)C)S(=O)(=O)Nc2ccc3nc(C)sc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D16 compound treatment 0.282 0.0323 1.2 0.268 0.0214 0.98 1.5443 0.9949 1577125 TimTec1_004658 CCOC(=O)CCCN1C(CCc2ccccc12)C(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D17 compound treatment 0.285 0.0353 1.31 0.283 0.0364 1.67 2.1089 0.993 3211412 TimTec1_004659 C1CC1Nc2nc(nc(n2)n3ccnc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D18 compound treatment 0.26 0.0103 0.38 0.257 0.0104 0.48 0.6096 0.9942 1034819 TimTec1_004660 CC(O)(c1ccccc1)C(C)(O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D19 compound treatment 0.255 0.00533 0.2 0.255 0.00843 0.39 0.4133 0.9521 3211413 TimTec1_004661 O=S(=O)(Cc1ccccc1C#N)c2nc3cccnc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D20 compound treatment 0.254 0.00433 0.16 0.251 0.00443 0.2 0.2575 0.9935 3211414 TimTec1_004662 Oc1nc(Oc2cccc(c2)C(F)(F)F)cc(Oc3cccc(c3)C(F)(F)F)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D21 compound treatment 0.256 0.00633 0.24 0.255 0.00843 0.39 0.4396 0.9719 3085910 TimTec1_004663 CN(C(=O)CSc1nc(C)cc2COC(=O)c21)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D22 compound treatment 0.251 0.00133 0.05 0.249 0.00243 0.11 0.1139 0.9335 3085911 TimTec1_004664 Cc1cc(=O)n(CNC(=O)c2ccco2)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D23 mock treatment 0.253 0.00333 0.12 0.253 0.00643 0.29 0.296 0.926 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 D24 mock treatment 0.247 -0.00267 -0.1 0.245 -0.00157 -0.07 -0.1209 -0.9873 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E01 compound treatment 0.259 0.00933 0.35 0.258 0.0114 0.52 0.6156 0.9801 3211415 TimTec1_004665 O/N=C(/C#N)\c1nc2ccccc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E02 compound treatment 0.257 0.00733 0.27 0.255 0.00843 0.39 0.4659 0.9855 1640993 TimTec1_004666 CCOc1ccc(NC(=O)CSc2nc3ccc(cc3s2)N4C(=O)c5ccccc5C4=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E03 compound treatment 0.275 0.0253 0.94 0.269 0.0224 1.03 1.3926 0.9991 1162299 TimTec1_004667 COc1ccc(cc1)c2nnc(NC(=O)CC(C)C)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E04 compound treatment 0.258 0.00833 0.31 0.256 0.00943 0.43 0.5246 0.9868 3085914 TimTec1_004668 Cc1nnc(SCC(=O)c2ccc(Cl)cc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E05 compound treatment 0.256 0.00633 0.24 0.257 0.0104 0.48 0.5044 0.9469 3211416 TimTec1_004669 CN(C)C1N(N=C2N1S(=O)(=O)c3ccccc23)C(=O)c4ccc(C)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E06 compound treatment 0.255 0.00533 0.2 0.258 0.0114 0.52 0.5104 0.9118 3211417 TimTec1_004670 OC(=O)CSc1nnc(c2ccccc2Br)n1C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E07 compound treatment 0.253 0.00333 0.12 0.255 0.00843 0.39 0.3607 0.8894 1165665 TimTec1_004671 CC(C)N1C(=O)CCNc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E08 compound treatment 0.32 0.0703 2.62 0.315 0.0684 3.13 4.0655 0.996 3085950 TimTec1_004672 Clc1ccc(SCc2[nH]n(c3nc4ccccc4s3)c(=O)c2/C=N/Cc5ccco5)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E09 compound treatment 0.254 0.00433 0.16 0.252 0.00543 0.25 0.2899 0.9779 1675123 TimTec1_004673 COc1cc(CNC(=O)C2CCCC2)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E10 compound treatment 0.266 0.0163 0.61 0.262 0.0154 0.71 0.9293 0.9972 1569434 TimTec1_004674 CCn1c(=N)n(CC(=O)c2ccc(Br)cc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E11 compound treatment 0.256 0.00633 0.24 0.256 0.00943 0.43 0.472 0.9594 3085953 TimTec1_004675 CC(C)(C)Nc1nc(=O)[nH]c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E12 compound treatment 0.261 0.0113 0.42 0.258 0.0114 0.52 0.6682 0.9942 3211418 TimTec1_004676 C[C@H]1C[C@H](C2C(=NNC2=O)C)N(N1c3ccccc3)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E13 compound treatment 0.268 0.0183 0.68 0.267 0.0204 0.94 1.1437 0.9879 1364377 TimTec1_004677 CN(Cc1ccccc1)Cc2c(O)ccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E14 compound treatment 0.257 0.00733 0.27 0.256 0.00943 0.43 0.4983 0.9754 3211419 TimTec1_004678 O=C(C1CCCCC1)n2cnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E15 compound treatment 0.255 0.00533 0.2 0.254 0.00743 0.34 0.3809 0.967 3085956 TimTec1_004679 Cn1c(=O)c(C#N)c(c2ccccc2)n3cnnc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E16 compound treatment 0.259 0.00933 0.35 0.259 0.0124 0.57 0.648 0.9719 3085958 TimTec1_004680 C=CCNC(=O)C#Cc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E17 compound treatment 0.295 0.0453 1.69 0.287 0.0404 1.85 2.5014 0.9989 3211420 TimTec1_004681 CCOC(=O)n1ncc(C#N)c1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E18 compound treatment 0.266 0.0163 0.61 0.267 0.0204 0.94 1.0911 0.9781 1935336 TimTec1_004682 CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E19 compound treatment 0.253 0.00333 0.12 0.251 0.00443 0.2 0.2312 0.972 1210397 TimTec1_004683 CC1CN(OC(O1)c2cccc(O)c2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E20 compound treatment 0.274 0.0243 0.91 0.266 0.0194 0.89 1.2692 1.0 3085961 TimTec1_004684 CCN(N)c1nc(Cl)cc(C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E21 compound treatment 0.255 0.00533 0.2 0.255 0.00843 0.39 0.4133 0.9521 1723779 TimTec1_004685 COC(C(=O)Nc1ccc(Cl)cn1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E22 compound treatment 0.247 -0.00267 -0.1 0.246 -5.67E-4 -0.03 -0.0885 -0.863 1263589 TimTec1_004686 NCC1(CC2CC3C1)CC(CN)(C2)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E23 mock treatment 0.256 0.00633 0.24 0.255 0.00843 0.39 0.4396 0.9719 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 E24 mock treatment 0.249 -6.67E-4 -0.02 0.245 -0.00157 -0.07 -0.0683 -0.8993 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F01 compound treatment 0.248 -0.00167 -0.06 0.245 -0.00157 -0.07 -0.0946 -0.9974 1717073 TimTec1_004687 COc1ccc(CC2C(=O)NC(=O)N(C2=O)c3cccc(Cl)c3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F02 compound treatment 0.354 0.104 3.88 0.341 0.0944 4.32 5.8015 0.9985 3085964 TimTec1_004688 S=C(NC(c1ccccc1)c2ccccc2)Nc3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F03 compound treatment 0.262 0.0123 0.46 0.261 0.0144 0.66 0.7917 0.9841 1738878 TimTec1_004689 CC(C)(C)c1nnc(Nc2ccc3OCOc3c2)n(N)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F04 compound treatment 0.253 0.00333 0.12 0.251 0.00443 0.2 0.2312 0.972 3085966 TimTec1_004690 OCc1ccccc1NC(=S)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F05 compound treatment 0.282 0.0323 1.2 0.279 0.0324 1.49 1.9005 0.9945 3211421 TimTec1_004691 FC(F)(F)c1cccc(c1)N2C(Nc3ccccc3C2=O)c4ccc5cccnc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F06 compound treatment 0.262 0.0123 0.46 0.261 0.0144 0.66 0.7917 0.9841 1429088 TimTec1_004692 CC(C)CCOc1ccc(cc1)C2(C)NC(=O)N(CN3CCOCC3)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F07 compound treatment 0.263 0.0133 0.5 0.264 0.0174 0.8 0.9151 0.9738 3085968 TimTec1_004693 CCC(=O)Oc1ccc(cc1OC)C2CC(=O)c3c(N2)ccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F08 compound treatment 0.266 0.0163 0.61 0.264 0.0174 0.8 0.994 0.9909 3085970 TimTec1_004694 OC(=O)c1cc(on1)c2ccc(O)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F09 compound treatment 0.266 0.0163 0.61 0.264 0.0174 0.8 0.994 0.9909 3211422 TimTec1_004695 COc1ccc(cc1)C(=O)c2[nH]c(cc2c3ccccc3)c4ccc(OC)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F10 compound treatment 0.271 0.0213 0.79 0.272 0.0254 1.16 1.3845 0.9825 1353733 TimTec1_004696 CCOC(=O)C1=C(CN(C1)C(=O)c2ccccc2)NN(C)c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F11 compound treatment 0.351 0.101 3.77 0.35 0.103 4.74 6.0139 0.9936 3085972 TimTec1_004697 Oc1[nH]nc2nc(cc(c12)C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F12 compound treatment 0.256 0.00633 0.24 0.256 0.00943 0.43 0.472 0.9594 3211423 TimTec1_004698 CN(C1=C(C)CN(C2CCCCC2)C1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F13 compound treatment 0.272 0.0223 0.83 0.271 0.0244 1.12 1.3784 0.9893 3211424 TimTec1_004699 Cc1nn(C(=O)COc2ccc(Cl)cc2Cl)c(N)c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F14 compound treatment 0.279 0.0293 1.09 0.271 0.0244 1.12 1.5626 0.9999 3086016 TimTec1_004700 COc1ccc(cc1)N(C(C)C2C(C)(C)C2(C)C)C(=O)Nc3ccccc3N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F15 compound treatment 0.266 0.0163 0.61 0.264 0.0174 0.8 0.994 0.9909 3211510 TimTec1_004701 OC1(N(C2CC2)C(=O)c3ccccc31)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F16 compound treatment 0.267 0.0173 0.64 0.266 0.0194 0.89 1.0851 0.9875 1249129 TimTec1_004702 CCC1(COCc2ccccc2)CCC(O1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F17 compound treatment 0.317 0.0673 2.5 0.314 0.0674 3.09 3.9542 0.9946 3211511 TimTec1_004703 CCN(Cc1ccccc1)C(=O)c2sc3nc(C)cc(C)c3c2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F18 compound treatment 0.259 0.00933 0.35 0.259 0.0124 0.57 0.648 0.9719 3086019 TimTec1_004704 COc1ccc2/C(=N/N)/CCCc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F19 compound treatment 0.29 0.0403 1.5 0.292 0.0454 2.08 2.5318 0.9871 3211512 TimTec1_004705 Nc1nnc(s1)c2ccc(Cn3c(nc4ccccc34)c5cncs5)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F20 compound treatment 0.276 0.0263 0.98 0.271 0.0244 1.12 1.4837 0.9978 3211513 TimTec1_004706 CS(=O)(=O)c1nc(Oc2cccc(c2)C(F)(F)F)cc(Oc3cccc(c3)C(F)(F)F)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F21 compound treatment 0.253 0.00333 0.12 0.253 0.00643 0.29 0.296 0.926 1223782 TimTec1_004707 OCC1CCCCN1C(=S)NCCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F22 compound treatment 0.258 0.00833 0.31 0.258 0.0114 0.52 0.5893 0.9687 3211514 TimTec1_004708 COc1ccc2C(=O)/C(=N\O)/CCCc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F23 mock treatment 0.259 0.00933 0.35 0.258 0.0114 0.52 0.6156 0.9801 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 F24 mock treatment 0.256 0.00633 0.24 0.241 -0.00557 -0.25 -0.0137 -0.0393 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G01 compound treatment 0.242 -0.00767 -0.29 0.24 -0.00657 -0.3 -0.4142 -0.9996 1356880 TimTec1_004709 OC(=O)c1cc(nc2ccc(Br)cc12)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G02 compound treatment 0.256 0.00633 0.24 0.256 0.00943 0.43 0.472 0.9594 3211515 TimTec1_004710 Brc1ccc(cc1)C2=CC(=O)OC(O2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G03 compound treatment 0.298 0.0483 1.8 0.28 0.0334 1.53 2.3537 0.9968 2106889 TimTec1_004711 Nc1nc(Cl)cc(Oc2ccc(Cl)cc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G04 compound treatment 0.255 0.00533 0.2 0.248 0.00143 0.07 0.1867 0.8934 1151915 TimTec1_004712 CN1C(=O)C(Cc2c(C)[nH]c3ccccc23)C(=O)N(C)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G05 compound treatment 0.254 0.00433 0.16 0.258 0.0114 0.52 0.4841 0.8839 1509629 TimTec1_004713 Cn1c(SCC(=O)c2ccc3CCCCc3c2)nc4ccccc4c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G06 compound treatment 0.259 0.00933 0.35 0.26 0.0134 0.62 0.6804 0.9634 1368472 TimTec1_004714 Cc1nonc1NC(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G07 compound treatment 0.254 0.00433 0.16 0.253 0.00643 0.29 0.3223 0.9597 1733999 TimTec1_004715 S=C1CCN(Cc2ccccc2)c3ccccc3N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G08 compound treatment 0.257 0.00733 0.27 0.257 0.0104 0.48 0.5307 0.9647 1463893 TimTec1_004716 CN1CCN(CC1)C(=O)c2c(C)oc3cc4c(C(=O)N5CCN(C)CC5)c(C)oc4cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G09 compound treatment 0.252 0.00233 0.09 0.249 0.00243 0.11 0.1402 0.9924 3086027 TimTec1_004717 CCOc1ccc2nc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G10 compound treatment 0.262 0.0123 0.46 0.26 0.0134 0.62 0.7593 0.9896 3211516 TimTec1_004718 Fc1ccc(cc1)c2n[nH]cc2C=C3C(=O)c4ccccc4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G11 compound treatment 0.248 -0.00167 -0.06 0.249 0.00243 0.11 0.0349 0.2741 1735827 TimTec1_004719 CCN(CC)C(=S)Nc1ccc2oc(nc2c1)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G12 compound treatment 0.264 0.0143 0.53 0.265 0.0184 0.84 0.9738 0.9755 3211517 TimTec1_004720 CC1(NN(C(=S)N1)c2ccccc2)C3(C)COCOC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G13 compound treatment 0.255 0.00533 0.2 0.255 0.00843 0.39 0.4133 0.9521 3086031 TimTec1_004721 CCOc1ccccc1C(=O)n2cc(Cl)cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G14 compound treatment 0.254 0.00433 0.16 0.301 0.0544 2.49 1.8763 0.7513 1425223 TimTec1_004722 COc1ccccc1N2C(=O)c3ccc(cc3C2=O)C(=O)Nc4cc(C)on4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G15 compound treatment 0.259 0.00933 0.35 0.273 0.0264 1.21 1.1013 0.8747 1383059 TimTec1_004723 CC1CCN(CC1)c2nc3nonc3nc2Nc4ccc5OCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G16 compound treatment 0.299 0.0493 1.83 0.294 0.0474 2.17 2.8332 0.9965 1606397 TimTec1_004724 O=S(=O)(NCC1(CC2CC3CC(C2)C1)C3)c4cccc5nsnc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G17 compound treatment 0.271 0.0213 0.79 0.271 0.0244 1.12 1.3521 0.9858 3211518 TimTec1_004725 COc1ccc(CCN2C(CC(=O)N)C(=O)N(C2=S)c3cccc(c3)C(F)(F)F)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G18 compound treatment 0.257 0.00733 0.27 0.256 0.00943 0.43 0.4983 0.9754 3086077 TimTec1_004726 Clc1cccc(c1)C2CC(=O)C(=CNC3CCCC3)C(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G19 compound treatment 0.26 0.0103 0.38 0.259 0.0124 0.57 0.6743 0.9817 1327319 TimTec1_004727 COc1ccc(cc1OC)C2OC(COc3ccccc3)CN(O2)C(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G20 compound treatment 0.259 0.00933 0.35 0.255 0.00843 0.39 0.5185 0.9986 1653659 TimTec1_004728 Clc1ccc(cc1)c2csc3c4ncnc4ncn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G21 compound treatment 0.256 0.00633 0.24 0.257 0.0104 0.48 0.5044 0.9469 3211519 TimTec1_004729 Cn1c(/C=C/C(=O)O)nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G22 compound treatment 0.257 0.00733 0.27 0.259 0.0124 0.57 0.5954 0.9432 3211520 TimTec1_004730 COCc1cc(C)nc2sc3c(=O)n(nnc3c12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G23 mock treatment 0.254 0.00433 0.16 0.252 0.00543 0.25 0.2899 0.9779 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 G24 mock treatment 0.248 -0.00167 -0.06 0.242 -0.00457 -0.21 -0.1917 -0.8789 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H01 compound treatment 0.25 3.33E-4 0.01 0.253 0.00643 0.29 0.2171 0.7362 1710338 TimTec1_004731 Cn1c(CS(=O)(=O)c2ccccc2)c(C#N)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H02 compound treatment 0.305 0.0553 2.06 0.297 0.0504 2.31 3.0882 0.9984 3211521 TimTec1_004732 Clc1ccc(CS(=O)(=O)c2nc3cccnc3[nH]2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H03 compound treatment 0.289 0.0393 1.46 0.287 0.0404 1.85 2.3436 0.9932 3086082 TimTec1_004733 Cc1[nH]c2ccccc2c1CCN3C(=O)c4ccccc4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H04 compound treatment 0.249 -6.67E-4 -0.02 0.251 0.00443 0.2 0.126 0.6161 3211522 TimTec1_004734 O=C(NC(=O)c1cccs1)OC[C@@H]2CCCN3CCCCC23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H05 compound treatment 0.319 0.0693 2.58 0.361 0.114 5.24 5.5285 0.9467 3086084 TimTec1_004735 OC(=O)CCc1ccc(c2ccccc2)n1c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H06 compound treatment 0.252 0.00233 0.09 0.251 0.00443 0.2 0.2049 0.9282 3211523 TimTec1_004736 OC1(CC(=NN1C(=O)c2cccnc2)C(F)(F)F)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H07 compound treatment 0.305 0.0553 2.06 0.304 0.0574 2.63 3.3148 0.9926 3211524 TimTec1_004737 Fc1cccc(c1)C(=O)NC(=O)Nc2nc(cc(n2)C(F)(F)F)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H08 compound treatment 0.262 0.0123 0.46 0.259 0.0124 0.57 0.7269 0.9943 3086087 TimTec1_004738 Fc1ccccc1CCNc2c3CCCCc3nc4ncnn24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H09 compound treatment 0.255 0.00533 0.2 0.256 0.00943 0.43 0.4457 0.9377 3086089 TimTec1_004739 Cc1ccoc1C(=O)NCCN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H10 compound treatment 0.259 0.00933 0.35 0.257 0.0104 0.48 0.5833 0.9877 1653767 TimTec1_004740 CCOC(=O)C1=C(NC(C)C)C(=O)N(C1)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H11 compound treatment 0.257 0.00733 0.27 0.258 0.0114 0.52 0.563 0.9538 3211525 TimTec1_004741 CC1Cc2nn(c(c2C(=O)C1C)c3cccnc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H12 compound treatment 0.253 0.00333 0.12 0.252 0.00543 0.25 0.2636 0.9483 1563400 TimTec1_004742 CN1CC(=C(NC2CCCCC2)C1=O)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H13 compound treatment 0.283 0.0333 1.24 0.281 0.0344 1.58 1.9915 0.9929 3211526 TimTec1_004743 O=C1N(Cc2cccnc2)C(NCc3cccnc3)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H14 compound treatment 0.255 0.00533 0.2 0.253 0.00643 0.29 0.3486 0.9815 3086093 TimTec1_004744 Cc1cc(C)[n+]2c(csc2n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H15 compound treatment 0.261 0.0113 0.42 0.259 0.0124 0.57 0.7006 0.9891 1868951 TimTec1_004745 CCOC(=O)c1c(C)cc(C)[nH]c1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H16 compound treatment 0.259 0.00933 0.35 0.257 0.0104 0.48 0.5833 0.9877 1285461 TimTec1_004746 COc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H17 compound treatment 0.269 0.0193 0.72 0.267 0.0204 0.94 1.17 0.9916 3086156 TimTec1_004747 CCOc1ccc(CCNC(=O)Cc2nnc[nH]2)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H18 compound treatment 0.255 0.00533 0.2 0.255 0.00843 0.39 0.4133 0.9521 1091806 TimTec1_004748 CCC1C[N+]2(C)CCc3cc(OC)c(OC)cc3C2CC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H19 compound treatment 0.26 0.0103 0.38 0.257 0.0104 0.48 0.6096 0.9942 3086159 TimTec1_004749 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H20 compound treatment 0.255 0.00533 0.2 0.254 0.00743 0.34 0.3809 0.967 3211527 TimTec1_004750 CS(=O)(=O)c1ccc(C(=O)O)c(O)c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H21 compound treatment 0.28 0.0303 1.13 0.277 0.0304 1.39 1.7831 0.9945 3211528 TimTec1_004751 CC(C)(C)NC(=O)Cn1nnc(n1)c2ccc(cc2)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H22 compound treatment 0.256 0.00633 0.24 0.254 0.00743 0.34 0.4072 0.9838 1019007 TimTec1_004752 COc1ncnc2[nH]cnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H23 mock treatment 0.262 0.0123 0.46 0.26 0.0134 0.62 0.7593 0.9896 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 H24 mock treatment 0.24 -0.00967 -0.36 0.233 -0.0136 -0.62 -0.6935 -0.9662 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I01 compound treatment 0.25 3.33E-4 0.01 0.249 0.00243 0.11 0.0875 0.781 1573225 TimTec1_004753 O=C(N1CCOCC1)c2ccccc2C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I02 compound treatment 0.26 0.0103 0.38 0.264 0.0174 0.8 0.8362 0.9439 1382795 TimTec1_004754 O=C(CSc1ccccn1)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I03 compound treatment 0.26 0.0103 0.38 0.259 0.0124 0.57 0.6743 0.9817 1128047 TimTec1_004755 O=C(Oc1cccc2cccnc12)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I04 compound treatment 0.267 0.0173 0.64 0.265 0.0184 0.84 1.0527 0.9912 1498538 TimTec1_004756 CC(NC(=O)c1nc[nH]n1)c2ccc(cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I05 compound treatment 0.262 0.0123 0.46 0.264 0.0174 0.8 0.8888 0.9654 1694793 TimTec1_004757 NC(=O)N1CCC(=O)Nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I06 compound treatment 0.257 0.00733 0.27 0.257 0.0104 0.48 0.5307 0.9647 1660022 TimTec1_004758 CC12CCCCC2N(CC(=O)N)c3ccccc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I07 compound treatment 0.278 0.0283 1.05 0.278 0.0314 1.44 1.7629 0.9883 1335680 TimTec1_004759 Cc1nc2ccccn2c1c3csc(Nc4ccc(C)cc4C)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I08 compound treatment 0.262 0.0123 0.46 0.262 0.0154 0.71 0.8241 0.9781 1266099 TimTec1_004760 Clc1ccc2oc(=O)n(C(=O)Oc3ccccc3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I09 compound treatment 0.255 0.00533 0.2 0.255 0.00843 0.39 0.4133 0.9521 3211606 TimTec1_004761 OC(=O)C(Cc1ccccc1)P(=O)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I10 compound treatment 0.259 0.00933 0.35 0.258 0.0114 0.52 0.6156 0.9801 3086166 TimTec1_004762 COc1ccc(c2nnc3ccc(Cl)nn23)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I11 compound treatment 0.27 0.0203 0.76 0.283 0.0364 1.67 1.7144 0.936 1268857 TimTec1_004763 COc1ccc(c2csc(n2)C3COc4ccccc4O3)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I12 compound treatment 0.266 0.0163 0.61 0.265 0.0184 0.84 1.0264 0.987 1370075 TimTec1_004764 CN(C(=O)Cn1nnnc1N)C2(CCCCC2)C(=O)Nc3ccccc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I13 compound treatment 0.27 0.0203 0.76 0.269 0.0224 1.03 1.2611 0.9887 1698831 TimTec1_004765 O=c1nc(Nc2ccccc2)[nH]c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I14 compound treatment 0.276 0.0263 0.98 0.273 0.0264 1.21 1.5484 0.9945 3211607 TimTec1_004766 Cc1ccc(/C(=C/C2=NCCNC(C2)c3ccccc3)/O)c(O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I15 compound treatment 0.255 0.00533 0.2 0.255 0.00843 0.39 0.4133 0.9521 1314790 TimTec1_004767 COC(C(=O)NCc1cccnc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I16 compound treatment 0.254 0.00433 0.16 0.255 0.00843 0.39 0.387 0.9249 3211608 TimTec1_004768 CCCC/1=NN(C(=O)\C1=C/N)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I17 compound treatment 0.263 0.0133 0.5 0.263 0.0164 0.75 0.8827 0.9795 1621835 TimTec1_004769 CCN(CC)c1ccc2c(=O)[nH][nH]c(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I18 compound treatment 0.306 0.0563 2.1 0.303 0.0564 2.58 3.3087 0.9946 1274514 TimTec1_004770 Fc1ccc(cc1)c2cn3nc4CCCCc4nc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I19 compound treatment 0.237 -0.0127 -0.47 0.234 -0.0126 -0.58 -0.74 -0.9951 1017274 TimTec1_004771 CCOC(=O)c1cnc2ccc(OC)cc2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I20 compound treatment 0.249 -6.67E-4 -0.02 0.25 0.00343 0.16 0.0936 0.5883 1179846 TimTec1_004772 O=C(c1ccccc1)c2ccc(cc2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I21 compound treatment 0.256 0.00633 0.24 0.254 0.00743 0.34 0.4072 0.9838 1674029 TimTec1_004773 CCCCC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I22 compound treatment 0.284 0.0343 1.28 0.284 0.0374 1.71 2.115 0.9895 1703643 TimTec1_004774 COCc1cc(C)nc2sc3C(=O)NC(Nc3c12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I23 mock treatment 0.261 0.0113 0.42 0.26 0.0134 0.62 0.733 0.983 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 I24 mock treatment 0.249 -6.67E-4 -0.02 0.248 0.00143 0.07 0.0289 0.4115 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J01 compound treatment 0.257 0.00733 0.27 0.252 0.00543 0.25 0.3688 0.9989 1596975 TimTec1_004775 COc1ccc(cc1)C(=O)n2c(=S)nc3cc(C)ccn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J02 compound treatment 0.277 0.0273 1.02 0.275 0.0284 1.3 1.6395 0.9925 3211609 TimTec1_004776 Cc1ccc(cc1)C(=O)OC2CC(OC2CO)n3ccc(NC(=O)c4ccccc4)nc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J03 compound treatment 0.254 0.00433 0.16 0.255 0.00843 0.39 0.387 0.9249 1526337 TimTec1_004777 COc1ccc(cc1)C2=C(CC(=O)O)C(=O)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J04 compound treatment 0.251 0.00133 0.05 0.249 0.00243 0.11 0.1139 0.9335 3211610 TimTec1_004778 Cc1ccc(cc1)C(=O)NC(=O)OC[C@@H]2CCCN3CCCCC23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J05 compound treatment 0.292 0.0423 1.57 0.27 0.0234 1.07 1.8721 0.9825 1520302 TimTec1_004779 C(Cn1c(COc2ccccc2)nc3ccccc13)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J06 compound treatment 0.254 0.00433 0.16 0.254 0.00743 0.34 0.3546 0.9417 1554201 TimTec1_004780 Cc1ccc(cc1)N(C(=O)c2ccccn2)C3(CCCCC3)C(=O)Nc4c(C)cccc4C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J07 compound treatment 0.271 0.0213 0.79 0.273 0.0264 1.21 1.4169 0.979 3211611 TimTec1_004781 Cc1ccc(cc1C)n2nc(C(=O)O)c(/C=C/c3ccc(Cl)cc3Cl)c(C#N)c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J08 compound treatment 0.26 0.0103 0.38 0.261 0.0144 0.66 0.7391 0.9667 3086243 TimTec1_004782 Clc1ccc(NCc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J09 compound treatment 0.256 0.00633 0.24 0.254 0.00743 0.34 0.4072 0.9838 3211612 TimTec1_004783 C(c1cn(Cc2ccccc2)nn1)n3nnc(n3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J10 compound treatment 0.253 0.00333 0.12 0.253 0.00643 0.29 0.296 0.926 1008095 TimTec1_004784 NC(=S)Nc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J11 compound treatment 0.257 0.00733 0.27 0.257 0.0104 0.48 0.5307 0.9647 3211613 TimTec1_004785 OC(=O)CCN1CCn2c1nc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J12 compound treatment 0.265 0.0153 0.57 0.265 0.0184 0.84 1.0001 0.9818 1404920 TimTec1_004786 CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J13 compound treatment 0.258 0.00833 0.31 0.258 0.0114 0.52 0.5893 0.9687 3211614 TimTec1_004787 CCOc1ccc(CC(=O)C2C(=O)CC(C)(C)CC2=O)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J14 compound treatment 0.246 -0.00367 -0.14 0.247 4.33E-4 0.02 -0.0824 -0.5979 1418487 TimTec1_004788 CCOC(=O)c1nccnc1N(C(=O)c2ccc(C)cc2)C(=O)c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J15 compound treatment 0.259 0.00933 0.35 0.26 0.0134 0.62 0.6804 0.9634 3086247 TimTec1_004789 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC4CCCC4)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J16 compound treatment 0.258 0.00833 0.31 0.257 0.0104 0.48 0.557 0.9781 3211615 TimTec1_004790 CSC(=S)NCc1cccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J17 compound treatment 0.27 0.0203 0.76 0.271 0.0244 1.12 1.3258 0.9818 3211616 TimTec1_004791 CCC1(CN2CC3(CC)CN(C1)C2c4c(C)[nH]c5ccccc45)C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J18 compound treatment 0.238 -0.0117 -0.43 0.239 -0.00757 -0.35 -0.5518 -0.9938 1118951 TimTec1_004792 CC1=CC(=O)CN(C1)S(=O)(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J19 compound treatment 0.256 0.00633 0.24 0.255 0.00843 0.39 0.4396 0.9719 3086250 TimTec1_004793 CS(=O)(=O)NCc1ccc(cc1)C(=O)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J20 compound treatment 0.255 0.00533 0.2 0.249 0.00243 0.11 0.2191 0.9628 3211617 TimTec1_004794 Fc1cccc2ncnc(OCc3ccccc3)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J21 compound treatment 0.261 0.0113 0.42 0.259 0.0124 0.57 0.7006 0.9891 3211618 TimTec1_004795 COc1ccccc1NC(=O)C(F)(F)C(=O)Nc2ccccc2OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J22 compound treatment 0.252 0.00233 0.09 0.25 0.00343 0.16 0.1725 0.9608 1295066 TimTec1_004796 Cc1ccc(cc1)S(=O)(=O)N2CC(=O)CCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J23 mock treatment 0.254 0.00433 0.16 0.253 0.00643 0.29 0.3223 0.9597 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 J24 mock treatment 0.25 3.33E-4 0.01 0.236 -0.0106 -0.48 -0.3333 -0.6888 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K01 compound treatment 0.26 0.0103 0.38 0.251 0.00443 0.2 0.4153 0.9555 3211619 TimTec1_004797 Cc1ccc(NC(=O)c2ccccc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K02 compound treatment 0.28 0.0303 1.13 0.277 0.0304 1.39 1.7831 0.9945 1736764 TimTec1_004798 CC(C)Cc1nc(C#N)c(N)c(c1C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K03 compound treatment 0.257 0.00733 0.27 0.256 0.00943 0.43 0.4983 0.9754 1338385 TimTec1_004799 CN(C)N=Nc1ccc(cc1)S(=O)(=O)N(C(=O)C)C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K04 compound treatment 0.257 0.00733 0.27 0.255 0.00843 0.39 0.4659 0.9855 1523329 TimTec1_004800 COc1cc(ccc1O)C2N(Cc3ccccc3)CCCN2Cc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K05 compound treatment 0.268 0.0183 0.68 0.266 0.0194 0.89 1.1114 0.9914 1577188 TimTec1_004801 CC1CC(=O)Nc2ccccc2N1C=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K06 compound treatment 0.276 0.0263 0.98 0.28 0.0334 1.53 1.775 0.9767 1555913 TimTec1_004802 Cc1ccc(NC(=O)C2(CCCCC2)NC(=O)c3ccc(cc3)n4cnnn4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K07 compound treatment 0.252 0.00233 0.09 0.251 0.00443 0.2 0.2049 0.9282 3211620 TimTec1_004803 Cc1nc2ccccn2c1c3csc(Nc4ccc(Br)cc4Br)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K08 compound treatment 0.261 0.0113 0.42 0.261 0.0144 0.66 0.7654 0.9764 3086325 TimTec1_004804 OCC1(CCCCC1)C2=NOC(O)(C2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K09 compound treatment 0.257 0.00733 0.27 0.258 0.0114 0.52 0.563 0.9538 1021311 TimTec1_004805 C[N+]1(CC[N+]2(C)CCCCC2)CCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K10 compound treatment 0.251 0.00133 0.05 0.251 0.00443 0.2 0.1786 0.8547 1399338 TimTec1_004806 OC(C1CN2CCC1CC2)(c3cccc(Cl)c3)c4cccc(Cl)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K11 compound treatment 0.261 0.0113 0.42 0.256 0.00943 0.43 0.6035 0.9999 3086328 TimTec1_004807 Cc1ccc(CC2SC(=NC2=O)N3CCN(CC3)c4ccccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K12 compound treatment 0.338 0.0883 3.29 0.342 0.0954 4.37 5.413 0.9901 1611430 TimTec1_004808 CC1CCc2nc3ccc4ccccc4c3c(c5ccc(O)c(O)c5)c2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K13 compound treatment 0.266 0.0163 0.61 0.266 0.0194 0.89 1.0588 0.9827 1442519 TimTec1_004809 CC(=O)OC1CCC(C(OC(=O)C)C1[N+](C)(C)C)[N+](C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K14 compound treatment 0.259 0.00933 0.35 0.255 0.00843 0.39 0.5185 0.9986 1912712 TimTec1_004810 CC1=CC(C)(C)C(C(C1)C(=O)O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K15 compound treatment 0.26 0.0103 0.38 0.259 0.0124 0.57 0.6743 0.9817 1608847 TimTec1_004811 Cc1ccc(cc1)S(=O)(=O)N2N=NC3C4CC(C5CC=CC54)C32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K16 compound treatment 0.286 0.0363 1.35 0.285 0.0384 1.76 2.1999 0.9915 3211621 TimTec1_004812 FC(F)(F)c1cccc(NC(=O)NC2(CC2)c3ccccc3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K17 compound treatment 0.263 0.0133 0.5 0.264 0.0174 0.8 0.9151 0.9738 3086332 TimTec1_004813 COc1nsc(Br)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K18 compound treatment 0.258 0.00833 0.31 0.257 0.0104 0.48 0.557 0.9781 1299455 TimTec1_004814 CC1Nc2ccccc2C(=O)N1NC(=O)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K19 compound treatment 0.252 0.00233 0.09 0.254 0.00743 0.34 0.302 0.8599 1278796 TimTec1_004815 O=C(Cc1ccccc1)N2CCC(=N2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K20 compound treatment 0.259 0.00933 0.35 0.255 0.00843 0.39 0.5185 0.9986 1293299 TimTec1_004816 COc1ccc(CCn2c(N)cc(=O)[nH]c2=O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K21 compound treatment 0.251 0.00133 0.05 0.251 0.00443 0.2 0.1786 0.8547 1371336 TimTec1_004817 CCCCC(=O)Nc1c(nc2ccccn12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K22 compound treatment 0.251 0.00133 0.05 0.25 0.00343 0.16 0.1462 0.8871 3211728 TimTec1_004818 Brc1cnn(c2ccccc2)c(=O)c1NCCCN3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K23 mock treatment 0.259 0.00933 0.35 0.259 0.0124 0.57 0.648 0.9719 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 K24 mock treatment 0.253 0.00333 0.12 0.244 -0.00257 -0.12 0.0046 0.0268 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L01 compound treatment 0.257 0.00733 0.27 0.248 0.00143 0.07 0.2393 0.8529 1208379 TimTec1_004819 O=C(c1ccco1)n2c(=S)nc3ccccn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L02 compound treatment 0.251 0.00133 0.05 0.252 0.00543 0.25 0.211 0.8317 3211729 TimTec1_004820 O=C1CC(CN1)c2ccc(cc2)S(=O)(=O)NCc3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L03 compound treatment 0.256 0.00633 0.24 0.258 0.0114 0.52 0.5367 0.935 3211730 TimTec1_004821 CCOC(=O)c1nc(N)c(=O)n(n1)c2ccc(cc2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L04 compound treatment 0.26 0.0103 0.38 0.263 0.0164 0.75 0.8038 0.9514 3086338 TimTec1_004822 CN1C2=C(C(NC1=O)c3ccc(O)cc3)C(=O)N(CCO)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L05 compound treatment 0.26 0.0103 0.38 0.259 0.0124 0.57 0.6743 0.9817 3211731 TimTec1_004823 CC1(C)Cc2ccccc2C(=N1)c3sc4nc5CCCCCc5cc4c3N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L06 compound treatment 0.299 0.0493 1.83 0.3 0.0534 2.45 3.0275 0.99 1225977 TimTec1_004824 Cc1cc(NC(=O)Cc2ccccc2)ccc1c3cc4ccccc4oc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L07 compound treatment 0.252 0.00233 0.09 0.255 0.00843 0.39 0.3344 0.845 3086341 TimTec1_004825 CC(C)n1c(COc2ccc(Cl)cc2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L08 compound treatment 0.273 0.0233 0.87 0.274 0.0274 1.26 1.5019 0.9837 1395920 TimTec1_004826 COC(=O)C1=C(CN(C1)c2ccccc2)NN(C)c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L09 compound treatment 0.352 0.102 3.81 0.345 0.0984 4.51 5.8784 0.9965 3086343 TimTec1_004827 Cc1ccsc1CNn2cnnc2SCc3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L10 compound treatment 0.258 0.00833 0.31 0.257 0.0104 0.48 0.557 0.9781 3086416 TimTec1_004828 CN(NC(=S)Nc1ccccc1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L11 compound treatment 0.312 0.0623 2.32 0.319 0.0724 3.32 3.9845 0.9847 3211732 TimTec1_004829 Cc1nn(C(=O)c2c[nH]c3ccccc23)c(N)c1c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L12 compound treatment 0.237 -0.0127 -0.47 0.237 -0.00957 -0.44 -0.6429 -0.9993 3086420 TimTec1_004830 O/N=C/c1nc2ccccc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L13 compound treatment 0.268 0.0183 0.68 0.256 0.00943 0.43 0.7876 0.9757 3211733 TimTec1_004831 Nn1c(S)nnc1Cc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L14 compound treatment 0.261 0.0113 0.42 0.26 0.0134 0.62 0.733 0.983 3086422 TimTec1_004832 OC/C=C/c1ccc(O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L15 compound treatment 0.275 0.0253 0.94 0.276 0.0294 1.35 1.6192 0.9847 3211734 TimTec1_004833 COc1ccc(c2cc(n[nH]2)C(=O)N)c(F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L16 compound treatment 0.27 0.0203 0.76 0.267 0.0204 0.94 1.1963 0.9944 3086423 TimTec1_004834 CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c2cccc(Oc3cccc(c3)C(F)(F)F)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L17 compound treatment 0.264 0.0143 0.53 0.266 0.0194 0.89 1.0062 0.97 3211735 TimTec1_004835 OCC1OC(Nc2ccccn2)C(O)C(O)C1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L18 compound treatment 0.272 0.0223 0.83 0.278 0.0314 1.44 1.6051 0.9659 1186126 TimTec1_004836 COc1ccc2c3CCc4c([nH]c5ccccc45)-c3ccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L19 compound treatment 0.282 0.0323 1.2 0.278 0.0314 1.44 1.8681 0.996 3086426 TimTec1_004837 Cc1cccc(C)c1OCCN2C(=O)c3ccccc3C2(O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L20 compound treatment 0.266 0.0163 0.61 0.263 0.0164 0.75 0.9616 0.9944 1122321 TimTec1_004838 CCC1Nc2ccccc2NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L21 compound treatment 0.275 0.0253 0.94 0.295 0.0484 2.22 2.2344 0.9273 1235395 TimTec1_004839 S=C(Nc1cccnc1)N(CCc2ccccc2)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L22 compound treatment 0.258 0.00833 0.31 0.258 0.0114 0.52 0.5893 0.9687 3086429 TimTec1_004840 O/N=C/C(=O)Nc1ccccc1I 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L23 mock treatment 0.257 0.00733 0.27 0.258 0.0114 0.52 0.563 0.9538 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 L24 mock treatment 0.257 0.00733 0.27 0.249 0.00243 0.11 0.2717 0.922 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M01 compound treatment 0.271 0.0213 0.79 0.268 0.0214 0.98 1.255 0.9944 1539018 TimTec1_004841 CC(C)(C)NCC(O)COc1c(Br)ccc2c1sc3nc4CCCCCn4c(=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M02 compound treatment 0.259 0.00933 0.35 0.252 0.00543 0.25 0.4214 0.9866 1251587 TimTec1_004842 CCCc1nc2c(sc3nc(COC)cc(C)c32)c4nc5ccccc5n14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M03 compound treatment 0.263 0.0133 0.5 0.259 0.0124 0.57 0.7532 0.9976 1774729 TimTec1_004843 O=C(OC1CS(=O)(=O)CC1OC(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M04 compound treatment 0.292 0.0423 1.57 0.256 0.00943 0.43 1.4188 0.869 3086431 TimTec1_004844 CCC(=O)Nc1nc2nc(COC)cc(O)n2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M05 compound treatment 0.26 0.0103 0.38 0.26 0.0134 0.62 0.7067 0.9744 3211736 TimTec1_004845 CC1CC(=O)N(C(=O)C)c2ccccc2N1C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M06 compound treatment 0.268 0.0183 0.68 0.271 0.0244 1.12 1.2732 0.9718 1645856 TimTec1_004846 CCOC(=O)CNc1nc(Cl)nc(NCC=C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M07 compound treatment 0.253 0.00333 0.12 0.255 0.00843 0.39 0.3607 0.8894 1505508 TimTec1_004847 OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M08 compound treatment 0.918 0.668 24.86 0.937 0.69 31.61 39.9315 0.9929 3211737 TimTec1_004848 OC(=O)Cn1cc(/C=C/2\C(=O)NN(C2=O)c3ccccc3)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M09 compound treatment 0.259 0.00933 0.35 0.259 0.0124 0.57 0.648 0.9719 3211738 TimTec1_004849 OC(C(O)c1nnc(S)n1c2ccccc2)c3nnc(S)n3c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M10 compound treatment 0.256 0.00633 0.24 0.257 0.0104 0.48 0.5044 0.9469 3086435 TimTec1_004850 OC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2c4ccccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M11 compound treatment 0.256 0.00633 0.24 0.253 0.00643 0.29 0.3749 0.9939 3211739 TimTec1_004851 CCOC(=O)CN1NC(CC)(NC1=S)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M12 compound treatment 0.25 3.33E-4 0.01 0.25 0.00343 0.16 0.1199 0.7605 3211740 TimTec1_004852 Cc1onc(c1C(=O)NCCOC2(CC3CC4CC(C3)C2)C4)c5ccccc5Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M13 compound treatment 0.264 0.0143 0.53 0.262 0.0154 0.71 0.8767 0.9903 1320456 TimTec1_004853 Oc1ncnc2nn(nc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M14 compound treatment 0.238 -0.0117 -0.43 0.254 0.00743 0.34 -0.0662 -0.12 1262859 TimTec1_004854 C=CCN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M15 compound treatment 0.253 0.00333 0.12 0.251 0.00443 0.2 0.2312 0.972 1260852 TimTec1_004855 COc1ccccc1N2CCSC2C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M16 compound treatment 0.262 0.0123 0.46 0.267 0.0204 0.94 0.9859 0.9462 1602518 TimTec1_004856 COC(=O)c1cc(=O)c2c(SC)nc(nc2[nH]1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M17 compound treatment 0.259 0.00933 0.35 0.256 0.00943 0.43 0.5509 0.9941 1218046 TimTec1_004857 CC(C)(O)C#Cc1ccc(o1)C(=O)N2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M18 compound treatment 0.251 0.00133 0.05 0.253 0.00643 0.29 0.2434 0.8147 1375886 TimTec1_004858 CC(C)c1ccc(cc1)S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M19 compound treatment 0.249 -6.67E-4 -0.02 0.25 0.00343 0.16 0.0936 0.5883 1685209 TimTec1_004859 O=C1NC(=O)C(CCc2ccccn2)(CCc3ccccn3)C(=O)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M20 compound treatment 0.335 0.0853 3.17 0.322 0.0754 3.45 4.6866 0.9991 3211741 TimTec1_004860 Cc1nnc(c2ccccc2)c(=O)n1/N=C/c3ccc(O)c(O)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M21 compound treatment 0.252 0.00233 0.09 0.254 0.00743 0.34 0.302 0.8599 1591983 TimTec1_004861 O=C(NC1CCCCC1)n2c(=O)oc3cc(ccc23)S(=O)(=O)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M22 compound treatment 0.258 0.00833 0.31 0.257 0.0104 0.48 0.557 0.9781 3086509 TimTec1_004862 Cc1cc(C)n(n1)c2n[nH]c(=S)n2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M23 mock treatment 0.256 0.00633 0.24 0.254 0.00743 0.34 0.4072 0.9838 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 M24 mock treatment 0.25 3.33E-4 0.01 0.251 0.00443 0.2 0.1523 0.7489 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N01 compound treatment 0.248 -0.00167 -0.06 0.252 0.00543 0.25 0.1321 0.5152 1431780 TimTec1_004863 Oc1nnc(c2ncc[nH]2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N02 compound treatment 0.25 3.33E-4 0.01 0.251 0.00443 0.2 0.1523 0.7489 3211742 TimTec1_004864 CCOc1ccc(cc1S(=O)(=O)NC2CC2)n3cnnn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N03 compound treatment 0.251 0.00133 0.05 0.249 0.00243 0.11 0.1139 0.9335 3086512 TimTec1_004865 CCN1CN(Cc2ccccc2)CNC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N04 compound treatment 0.243 -0.00667 -0.25 0.247 4.33E-4 0.02 -0.1613 -0.6485 3211743 TimTec1_004866 CC1(C2c3ccccc3OC(=O)C21C(=O)N4CCOCC4)C(=O)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N05 compound treatment 0.272 0.0223 0.83 0.271 0.0244 1.12 1.3784 0.9893 3211744 TimTec1_004867 CCCCn1c(cc(=O)c2c(C)n(c3ccccc3)c(=S)nc12)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N06 compound treatment 0.278 0.0283 1.05 0.288 0.0414 1.9 2.0867 0.9615 3086514 TimTec1_004868 Cc1cccc(NCc2c(C#N)c3ccccc3n2C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N07 compound treatment 0.267 0.0173 0.64 0.267 0.0204 0.94 1.1174 0.9835 3211745 TimTec1_004869 CCOc1nc(OCC)nc(n1)n2cc(nn2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N08 compound treatment 0.264 0.0143 0.53 0.264 0.0174 0.8 0.9414 0.9807 1416515 TimTec1_004870 CCOC(=O)C1=C(NN(C)c2ccccc2)C(=O)N(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N09 compound treatment 0.254 0.00433 0.16 0.254 0.00743 0.34 0.3546 0.9417 3211746 TimTec1_004871 Nc1nc-2c(CCc3c2cnn3c4ccccc4)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N10 compound treatment 0.251 0.00133 0.05 0.25 0.00343 0.16 0.1462 0.8871 1675882 TimTec1_004872 CCOC(=O)C1=C(N)C(=O)N(CCCN2CCOCC2)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N11 compound treatment 0.265 0.0153 0.57 0.265 0.0184 0.84 1.0001 0.9818 3211837 TimTec1_004873 CCOc1nc(NC(=O)NC(=O)c2c(F)cccc2F)nc(n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N12 compound treatment 0.234 -0.0157 -0.58 0.233 -0.0136 -0.62 -0.8513 -0.9995 3086517 TimTec1_004874 Cn1c(/C=N/O)nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N13 compound treatment 0.255 0.00533 0.2 0.255 0.00843 0.39 0.4133 0.9521 3211838 TimTec1_004875 COC(=O)Nc1ccc2n(cnc2c1)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N14 compound treatment 0.261 0.0113 0.42 0.264 0.0174 0.8 0.8625 0.9555 1164968 TimTec1_004876 O=C(NCCc1ccccc1)C2c3ccccc3-c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N15 compound treatment 0.257 0.00733 0.27 0.257 0.0104 0.48 0.5307 0.9647 3211839 TimTec1_004877 Cc1n[nH]c2nc3n(C)c(=O)n(C)c(=O)c3c(OC(=O)c4ccccc4)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N16 compound treatment 0.257 0.00733 0.27 0.253 0.00643 0.29 0.4012 0.9993 3086520 TimTec1_004878 CNC(=O)c1cccc(Oc2cccc(Cl)n2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N17 compound treatment 0.259 0.00933 0.35 0.258 0.0114 0.52 0.6156 0.9801 1658721 TimTec1_004879 S=C(NCCN1CCOCC1)NC2CCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N18 compound treatment 0.253 0.00333 0.12 0.249 0.00243 0.11 0.1665 0.9986 1394340 TimTec1_004880 Cc1ccc(cc1)S(=O)(=O)N2CC(=O)c3ccccc3-c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N19 compound treatment 0.287 0.0373 1.39 0.281 0.0344 1.58 2.0967 0.998 3211840 TimTec1_004881 NC(=O)C(Cc1ccccc1)NC(=O)c2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N20 compound treatment 0.257 0.00733 0.27 0.256 0.00943 0.43 0.4983 0.9754 1014469 TimTec1_004882 CC(=O)Nc1ccccc1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N21 compound treatment 0.244 -0.00567 -0.21 0.243 -0.00357 -0.16 -0.2645 -0.992 3211841 TimTec1_004883 CC(C)N(Cc1ccccc1)C(=S)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N22 compound treatment 0.253 0.00333 0.12 0.251 0.00443 0.2 0.2312 0.972 3085427 TimTec1_004884 COc1ccccc1/C(=C\C)/C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N23 mock treatment 0.254 0.00433 0.16 0.253 0.00643 0.29 0.3223 0.9597 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 N24 mock treatment 0.248 -0.00167 -0.06 0.237 -0.00957 -0.44 -0.3536 -0.7992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O01 compound treatment 0.235 -0.0147 -0.55 0.221 -0.0256 -1.17 -1.2135 -0.9396 1506163 TimTec1_004885 CCOC(=O)c1c(NC(=O)c2ccccc2)sc3c4OCN(CC=C)Cc4ccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O02 compound treatment 0.248 -0.00167 -0.06 0.245 -0.00157 -0.07 -0.0946 -0.9974 1693531 TimTec1_004886 CC1(C)CC(CC(C)(C)N1)NC(=S)NC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O03 compound treatment 0.25 3.33E-4 0.01 0.254 0.00743 0.34 0.2494 0.7324 3085432 TimTec1_004887 Clc1ccc(NN2C(=O)c3cccc4cc(Br)cc(C2=O)c34)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O04 compound treatment 0.246 -0.00367 -0.14 0.244 -0.00257 -0.12 -0.1795 -0.9973 1234657 TimTec1_004888 O=C(CSCc1ccc2nsnc2c1)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O05 compound treatment 0.247 -0.00267 -0.1 0.255 0.00843 0.39 0.2029 0.509 3211842 TimTec1_004889 CCCN1C(=O)CCN(C(=O)C)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O06 compound treatment 0.255 0.00533 0.2 0.25 0.00343 0.16 0.2514 0.9934 1713735 TimTec1_004890 CC1(O)N(C2CC(C)(C)NC(C)(C)C2)C(=O)OC1(C)C3CC4CC3C=C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O07 compound treatment 0.25 3.33E-4 0.01 0.246 -5.67E-4 -0.03 -0.0096 -0.3331 3211843 TimTec1_004891 Cn1cnnc1SCc2c(Cl)cccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O08 compound treatment 0.252 0.00233 0.09 0.252 0.00543 0.25 0.2373 0.9006 1260007 TimTec1_004892 CN1CCN(CC1)NC(=S)Nc2ccccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O09 compound treatment 0.243 -0.00667 -0.25 0.25 0.00343 0.16 -0.0642 -0.2186 3085435 TimTec1_004893 NN(CCC(=O)NC1CCCCC1)C2=NS(=O)(=O)c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O10 compound treatment 0.254 0.00433 0.16 0.246 -5.67E-4 -0.03 0.0956 0.5857 3211844 TimTec1_004894 Clc1ccccc1C(=O)NCCOc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O11 compound treatment 0.259 0.00933 0.35 0.256 0.00943 0.43 0.5509 0.9941 1622091 TimTec1_004895 Cc1ccc(CNC(=O)CSc2nnc(s2)N3C(=O)c4ccccc4C3=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O12 compound treatment 0.292 0.0423 1.57 0.287 0.0404 1.85 2.4225 0.9968 1190874 TimTec1_004896 Cc1ccc(cc1S(=O)(=O)NCc2ccccn2)c3nnc(N4CCCCC4)c5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O13 compound treatment 0.255 0.00533 0.2 0.257 0.0104 0.48 0.4781 0.9242 1074879 TimTec1_004897 NC(=O)c1ccc(cc1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O14 compound treatment 0.279 0.0293 1.09 0.279 0.0324 1.49 1.8216 0.9885 1529201 TimTec1_004898 O=C1CSC(c2c(nn(c2N1)c3ccccc3)c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O15 compound treatment 0.245 -0.00467 -0.17 0.255 0.00843 0.39 0.1503 0.355 1372011 TimTec1_004899 OC(=O)C1(CCC(=O)NCc2ccccc2)CCC(=O)NC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O16 compound treatment 0.26 0.0103 0.38 0.261 0.0144 0.66 0.7391 0.9667 1451083 TimTec1_004900 Cc1cccc(NC(=O)CSc2nnc(CCC(=O)O)c(=O)n2N)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O17 compound treatment 0.275 0.0253 0.94 0.284 0.0374 1.71 1.8782 0.9603 1606306 TimTec1_004901 CC(=O)Nc1ccccc1c2nc3ccccc3nc2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O18 compound treatment 0.265 0.0153 0.57 0.271 0.0244 1.12 1.1943 0.9511 3211845 TimTec1_004902 Brc1ccc(NC(=O)CSCC(=O)Nc2cccc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O19 compound treatment 0.244 -0.00567 -0.21 0.248 0.00143 0.07 -0.1026 -0.4649 1693543 TimTec1_004903 Cc1nonc1NC2(Nc3nonc3C)C(=O)c4ccccc4C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O20 compound treatment 0.289 0.0393 1.46 0.306 0.0594 2.72 2.9587 0.9576 1465796 TimTec1_004904 O=C(Sc1nc(c([nH]1)c2ccccc2)c3ccccc3)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O21 compound treatment 0.246 -0.00367 -0.14 0.244 -0.00257 -0.12 -0.1795 -0.9973 1609425 TimTec1_004905 CC(=O)Nc1ncc(CN2CCOCC2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O22 compound treatment 0.294 0.0443 1.65 0.302 0.0554 2.54 2.9607 0.9782 1141664 TimTec1_004906 COc1ccc(cc1)S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)cc(C(C)C)c2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O23 mock treatment 0.242 -0.00767 -0.29 0.247 4.33E-4 0.02 -0.1876 -0.6563 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 O24 mock treatment 0.247 -0.00267 -0.1 0.236 -0.0106 -0.48 -0.4122 -0.8347 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P01 compound treatment 0.2 -0.0497 -1.85 0.234 -0.0126 -0.58 -1.7131 -0.8854 3085443 TimTec1_004907 Nn1cnn2c(SCc3cccc(c3)C(F)(F)F)nnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P02 compound treatment 0.248 -0.00167 -0.06 0.248 0.00143 0.07 0.0026 0.0285 3085445 TimTec1_004908 OC1(CC(=O)c2cccc(c2)n3cnnn3)C(=O)Nc4ccccc41 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P03 compound treatment 0.263 0.0133 0.5 0.261 0.0144 0.66 0.818 0.99 3211846 TimTec1_004909 NCCN1C(c2c(n[nH]c2C1=O)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P04 compound treatment 0.277 0.0273 1.02 0.275 0.0284 1.3 1.6395 0.9925 3211847 TimTec1_004910 Fc1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P05 compound treatment 0.248 -0.00167 -0.06 0.243 -0.00357 -0.16 -0.1593 -0.912 3085513 TimTec1_004911 Cc1ccc(c(O)c1)C(O)(c2nc3ccccc3[nH]2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P06 compound treatment 0.267 0.0173 0.64 0.267 0.0204 0.94 1.1174 0.9835 1787981 TimTec1_004912 CCn1c2ccccc2c3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P07 compound treatment 0.308 0.0583 2.17 0.294 0.0474 2.17 3.0699 1.0 3085795 TimTec1_004913 O=C(CC(C(=O)c1ccccc1)n2cccn2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P08 compound treatment 0.251 0.00133 0.05 0.25 0.00343 0.16 0.1462 0.8871 3211848 TimTec1_004914 CN(/N=C\1/CCN(C2CCCCC2)C1=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P09 compound treatment 0.251 0.00133 0.05 0.244 -0.00257 -0.12 -0.048 -0.3766 3085796 TimTec1_004915 O=S(=O)(CCC#N)c1nnnn1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P10 compound treatment 0.241 -0.00867 -0.32 0.237 -0.00957 -0.44 -0.5377 -0.9886 1492454 TimTec1_004916 COC(=O)C1=C(N)C(=O)N(C1)c2ccc(cc2)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P11 compound treatment 0.242 -0.00767 -0.29 0.241 -0.00557 -0.25 -0.3819 -0.9984 3211849 TimTec1_004917 COc1ccc(cc1)C(=O)NC(Cc2ccccc2)C(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P12 compound treatment 0.257 0.00733 0.27 0.255 0.00843 0.39 0.4659 0.9855 1062606 TimTec1_004918 N1=C(C1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P13 compound treatment 0.242 -0.00767 -0.29 0.248 0.00143 0.07 -0.1552 -0.5305 3085797 TimTec1_004919 COc1cc(NS(=O)(=O)N2CCCC2)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P14 compound treatment 0.29 0.0403 1.5 0.288 0.0414 1.9 2.4023 0.9932 3211850 TimTec1_004920 O=C(NCCCc1ccccc1)C2c3ccccc3-c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P15 compound treatment 0.254 0.00433 0.16 0.255 0.00843 0.39 0.387 0.9249 3085798 TimTec1_004921 CNC(=O)C1=C(C)Nc2nc3ccccc3n2C1c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P16 compound treatment 0.245 -0.00467 -0.17 0.241 -0.00557 -0.25 -0.303 -0.9825 1558273 TimTec1_004922 OC1C2CN3CC1(CN(C2)CC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P17 compound treatment 0.258 0.00833 0.31 0.266 0.0194 0.89 0.8484 0.9004 3211851 TimTec1_004923 O=C(Cc1ccccc1)Nc2nonc2NC(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P18 compound treatment 0.265 0.0153 0.57 0.284 0.0374 1.71 1.6152 0.8942 1454261 TimTec1_004924 CCCNC(=O)c1ccc(OC)c(OC(=O)c2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P19 compound treatment 0.24 -0.00967 -0.36 0.237 -0.00957 -0.44 -0.564 -0.9952 3211852 TimTec1_004925 CN(C)c1nc(N)nc(n1)C2CCCN2S(=O)(=O)c3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P20 compound treatment 0.25 3.33E-4 0.01 0.247 4.33E-4 0.02 0.0228 0.9744 3085799 TimTec1_004926 CS(=O)(=O)c1cccc(Cl)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P21 compound treatment 0.244 -0.00567 -0.21 0.245 -0.00157 -0.07 -0.1998 -0.8972 3085800 TimTec1_004927 CC1(C)C(OC(=O)C(C)(C)C1=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P22 compound treatment 0.241 -0.00867 -0.32 0.239 -0.00757 -0.35 -0.4729 -0.9994 1523811 TimTec1_004928 O=C(N1CCC2(Cc3ccccc3C2=O)CC1)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P23 mock treatment 0.236 -0.0137 -0.51 0.244 -0.00257 -0.12 -0.4425 -0.8482 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2076 P24 mock treatment 0.197 -0.0527 -1.96 0.193 -0.0536 -2.45 -3.1195 -0.9938 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A01 compound treatment 0.199 -0.0496 -1.84 0.206 -0.0438 -2.0 -2.7213 -0.9991 1644449 TimTec1_004929 COc1cc2CN(C)C(Cc3ccc(OC(=O)C)cc3)c2cc1OBr 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A02 compound treatment 0.209 -0.0396 -1.47 0.225 -0.0248 -1.13 -1.8431 -0.9917 3085801 TimTec1_004930 CCn1c(nc2ccccc12)c3nc4ccccc4n3CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A03 compound treatment 0.226 -0.0226 -0.84 0.226 -0.0238 -1.09 -1.3636 -0.9918 3211933 TimTec1_004931 CCOC(=O)/C=C(\C)/NC1CC(C)(C)NC(C)(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A04 compound treatment 0.242 -0.00658 -0.24 0.22 -0.0298 -1.36 -1.1371 -0.8209 3085802 TimTec1_004932 CO[C@H]1O[C@H](CO)C(=O)C(=C1N)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A05 compound treatment 0.233 -0.0156 -0.58 0.234 -0.0158 -0.72 -0.9205 -0.994 3211934 TimTec1_004933 O=c1sc2ccccc2n1COc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A06 compound treatment 0.262 0.0134 0.5 0.259 0.00923 0.42 0.6516 0.9966 1219039 TimTec1_004934 CN1CCN(Cc2c3ccccc3cc4ccccc24)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A07 compound treatment 0.232 -0.0166 -0.62 0.227 -0.0228 -1.04 -1.1734 -0.9686 3085803 TimTec1_004935 Cc1noc(C)c1C(=O)Nc2nnc(SCC(=O)O)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A08 compound treatment 0.239 -0.00958 -0.36 0.226 -0.0238 -1.09 -1.0217 -0.892 1640299 TimTec1_004936 CN(Cc1ccc2OCOc2c1)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A09 compound treatment 0.237 -0.0116 -0.43 0.238 -0.0118 -0.54 -0.6858 -0.9938 1531940 TimTec1_004937 OC(C(=O)c1ccccc1)c2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A10 compound treatment 0.237 -0.0116 -0.43 0.231 -0.0188 -0.86 -0.9124 -0.949 3211935 TimTec1_004938 Cn1nnnc1c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A11 compound treatment 0.252 0.00342 0.13 0.248 -0.00177 -0.08 0.0325 0.2153 1334202 TimTec1_004939 CC(NC(=O)OCc1ccccc1)C(=O)Oc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A12 compound treatment 0.234 -0.0146 -0.54 0.251 0.00123 0.06 -0.3438 -0.6306 1403452 TimTec1_004940 COc1ccccc1c2nn(CN(c3ccccc3)c4ccccc4)c(=S)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A13 compound treatment 0.242 -0.00658 -0.24 0.245 -0.00477 -0.22 -0.3276 -0.9984 1575737 TimTec1_004941 O=C(c1ccc2OCCCOc2c1)c3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A14 compound treatment 0.248 -5.81E-4 -0.02 0.238 -0.0118 -0.54 -0.3965 -0.7348 1152651 TimTec1_004942 O[C@@H](C1CC2CCN1CC2C=C)c3cnc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A15 compound treatment 0.224 -0.0246 -0.91 0.236 -0.0138 -0.63 -1.0925 -0.9836 1401869 TimTec1_004943 CC1(C)CC2(CCCN(CC#N)C2)CCO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A16 compound treatment 0.24 -0.00858 -0.32 0.239 -0.0108 -0.49 -0.5745 -0.9778 1670175 TimTec1_004944 Cc1nc2c(sc3nc4CCCCc4c(c5ccco5)c32)c(=O)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A17 compound treatment 0.246 -0.00258 -0.1 0.225 -0.0248 -1.13 -0.87 -0.7642 1247373 TimTec1_004945 Brc1ccnc(N2C(=O)c3ccccc3C2=O)c1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A18 compound treatment 0.303 0.0544 2.02 0.297 0.0472 2.16 2.9603 0.9995 3211937 TimTec1_004946 Nc1c(sc2nc(ccc12)c3cccs3)C(=O)c4ccc(Br)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A19 compound treatment 0.225 -0.0236 -0.88 0.236 -0.0138 -0.63 -1.0661 -0.9869 3085804 TimTec1_004947 CC(=C)C(=O)N1C(COC1=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A20 compound treatment 0.236 -0.0126 -0.47 0.246 -0.00377 -0.17 -0.4531 -0.9083 1254800 TimTec1_004948 CNc1nc(OC)cc(OC)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A21 compound treatment 0.261 0.0124 0.46 0.253 0.00323 0.15 0.4311 0.8889 3211938 TimTec1_004949 O=C(NCc1ccco1)/C(=C/C=C\c2ccccc2)/NC(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A22 compound treatment 0.233 -0.0156 -0.58 0.23 -0.0198 -0.91 -1.05 -0.9768 1033657 TimTec1_004950 CS(=O)(=O)c1nc2ccccc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A23 mock treatment 0.229 -0.0196 -0.73 0.241 -0.00877 -0.4 -0.7991 -0.9607 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 A24 mock treatment 0.199 -0.0496 -1.84 0.185 -0.0648 -2.97 -3.4012 -0.9739 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B01 compound treatment 0.219 -0.0296 -1.1 0.212 -0.0378 -1.73 -2.001 -0.9762 3211939 TimTec1_004951 CC(C)(C)C(=O)Nc1nccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B02 compound treatment 0.28 0.0314 1.17 0.28 0.0302 1.38 1.805 0.9965 3211940 TimTec1_004952 O=S(=O)(/N=C(\Nc1cccc2ccccc12)/c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B03 compound treatment 0.264 0.0154 0.57 0.263 0.0132 0.61 0.8337 0.9996 1143395 TimTec1_004953 CN(C)c1nc2n(C)c(=O)[nH]c(=O)c2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B04 compound treatment 0.265 0.0164 0.61 0.265 0.0152 0.7 0.9248 0.9978 3085810 TimTec1_004954 CCOC(=O)c1cn(nc1C(F)(F)F)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B05 compound treatment 0.257 0.00842 0.31 0.258 0.00823 0.38 0.4878 0.9958 3211941 TimTec1_004955 CCc1[o+]c(cc2CCCCc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B06 compound treatment 0.276 0.0274 1.02 0.275 0.0252 1.16 1.5379 0.9981 1673469 TimTec1_004956 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B07 compound treatment 0.264 0.0154 0.57 0.264 0.0142 0.65 0.8661 0.998 3211942 TimTec1_004957 O=C/1CCCC\C1=C\Nc2cccc(N/C=C\3/CCCCC3=O)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B08 compound treatment 0.25 0.00142 0.05 0.25 2.26E-4 0.01 0.0446 0.8298 1541165 TimTec1_004958 Cc1nonc1NC(=O)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B09 compound treatment 0.274 0.0254 0.95 0.274 0.0242 1.11 1.4529 0.9968 1429667 TimTec1_004959 COc1cccc(C(N2CCCC2)c3cc4OCOc4cc3O)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B10 compound treatment 0.241 -0.00758 -0.28 0.243 -0.00677 -0.31 -0.4187 -0.9989 3085814 TimTec1_004960 CC(=O)Nc1sc(C)c(C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B11 compound treatment 0.257 0.00842 0.31 0.257 0.00723 0.33 0.4554 0.9996 1366449 TimTec1_004961 CN(C)c1ccc(cc1)C2CC(C)(Oc3cc4OCOc4cc23)N5CCCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B12 compound treatment 0.286 0.0374 1.39 0.276 0.0262 1.2 1.8333 0.9973 3085816 TimTec1_004962 CC1=NNC(=O)C1C(C(C#N)C#N)c2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B13 compound treatment 0.26 0.0114 0.42 0.26 0.0102 0.47 0.6314 0.9988 1019517 TimTec1_004963 COc1cc(cc(OC)c1O)C2C3C(COC3=O)Cc4c(O)c5OCOc5cc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B14 compound treatment 0.265 0.0164 0.61 0.263 0.0132 0.61 0.86 1.0 1563233 TimTec1_004964 CCSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B15 compound treatment 0.259 0.0104 0.39 0.258 0.00823 0.38 0.5404 0.9999 3085858 TimTec1_004965 COc1cnc(SC)n(C)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B16 compound treatment 0.283 0.0344 1.28 0.283 0.0332 1.52 1.981 0.9963 1621047 TimTec1_004966 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(Cl)cc3Cl)c(Br)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B17 compound treatment 0.27 0.0214 0.8 0.269 0.0192 0.88 1.1858 0.9988 1547656 TimTec1_004967 CCOc1nc2ccccc2c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B18 compound treatment 0.248 -5.81E-4 -0.02 0.248 -0.00177 -0.08 -0.0727 -0.865 1446595 TimTec1_004968 CC(C)c1oc2cc(O)ccc2c(=O)c1c3nc4ccccc4n3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B19 compound treatment 0.258 0.00942 0.35 0.26 0.0102 0.47 0.5788 0.9898 2747 TimTec1_004969 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B20 compound treatment 0.348 0.0994 3.7 0.354 0.104 4.77 5.9893 0.9921 1295276 TimTec1_004970 NC(=S)c1[nH]nc2c1[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B21 compound treatment 0.257 0.00842 0.31 0.257 0.00723 0.33 0.4554 0.9996 1170984 TimTec1_004971 Cc1ccc(SC(CC(=O)c2ccc(cc2)C(C)(C)C)C(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B22 compound treatment 0.265 0.0164 0.61 0.255 0.00523 0.24 0.601 0.9163 3085864 TimTec1_004972 CCCCC1SC(=NNC1=O)/N=C/c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B23 mock treatment 0.257 0.00842 0.31 0.256 0.00623 0.29 0.423 0.9989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 B24 mock treatment 0.224 -0.0246 -0.91 0.241 -0.00877 -0.4 -0.9306 -0.9318 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C01 compound treatment 0.214 -0.0346 -1.29 0.227 -0.0228 -1.04 -1.6468 -0.9946 1262842 TimTec1_004973 CCOC(=O)C1(CCN(c2ccccc2C1=O)S(=O)(=O)c3ccc(C)cc3)C(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C02 compound treatment 0.242 -0.00658 -0.24 0.242 -0.00777 -0.36 -0.4248 -0.9833 1630883 TimTec1_004974 Cn1c(nc2ccccc12)P(=O)(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C03 compound treatment 0.239 -0.00958 -0.36 0.24 -0.00977 -0.45 -0.5684 -0.9936 3211943 TimTec1_004975 CCc1cccc(NC(=O)OC2CCN(C)CC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C04 compound treatment 0.265 0.0164 0.61 0.267 0.0172 0.79 0.9896 0.992 3085867 TimTec1_004976 Oc1ccccc1/N=C/c2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C05 compound treatment 0.247 -0.00158 -0.06 0.248 -0.00177 -0.08 -0.099 -0.9874 1684419 TimTec1_004977 CC(=O)Nc1ccc2n(CC=C)c(=O)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C06 compound treatment 0.245 -0.00358 -0.13 0.246 -0.00377 -0.17 -0.2164 -0.9917 3085869 TimTec1_004978 CN1CCN(Cc2c(Cl)cccc2Cl)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C07 compound treatment 0.275 0.0264 0.98 0.271 0.0212 0.97 1.3821 1.0 1544605 TimTec1_004979 Cc1ccc(F)c2[nH]cc3c(=O)n(nc3c12)c4ccccc4Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C08 compound treatment 0.254 0.00542 0.2 0.254 0.00423 0.19 0.2793 0.9998 1692460 TimTec1_004980 CSc1ccc(CN2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C09 compound treatment 0.251 0.00242 0.09 0.248 -0.00177 -0.08 0.0062 0.0511 1697399 TimTec1_004981 CC(Oc1ccc2c(cc(=O)oc2c1)c3ccccc3)C(=O)ON4C(=O)CCC4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C10 compound treatment 0.246 -0.00258 -0.1 0.25 2.26E-4 0.01 -0.0606 -0.6273 1553247 TimTec1_004982 Nc1nc(c(Cl)s1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C11 compound treatment 0.244 -0.00458 -0.17 0.244 -0.00577 -0.26 -0.3074 -0.9774 1170357 TimTec1_004983 CC(C)(C)OC(=O)N1CCCC1C(=O)Oc2ccc3c(=O)c(coc3c2)c4ccc5OCCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C12 compound treatment 0.31 0.0614 2.28 0.31 0.0602 2.76 3.5653 0.9956 1143084 TimTec1_004984 O=C(CSCc1c[nH]c2ccccc12)Nc3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C13 compound treatment 0.245 -0.00358 -0.13 0.248 -0.00177 -0.08 -0.1516 -0.9719 1113621 TimTec1_004985 S=C(N1CCOCC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C14 compound treatment 0.239 -0.00958 -0.36 0.243 -0.00677 -0.31 -0.4713 -0.9976 3211944 TimTec1_004986 OC[C@H]1[C@@H](C[C@@H]2OC(=O)C[C@H]12)OC(=O)c3ccc(cc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C15 compound treatment 0.239 -0.00958 -0.36 0.241 -0.00877 -0.4 -0.5361 -0.9982 1673684 TimTec1_004987 COc1nc(nc(n1)N2CCc3ccccc23)N4CCc5ccccc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C16 compound treatment 0.268 0.0194 0.72 0.257 0.00723 0.33 0.7447 0.9373 3085875 TimTec1_004988 CCc1nc(SC)c(C#N)c2CCCCc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C17 compound treatment 0.257 0.00842 0.31 0.257 0.00723 0.33 0.4554 0.9996 1436730 TimTec1_004989 CC1(C)CC(=O)C(C(=C1)O)C2(O)C(=O)c3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C18 compound treatment 0.253 0.00442 0.16 0.254 0.00423 0.19 0.253 0.9967 1271503 TimTec1_004990 COc1ccc(OC)c(c1)C2C(=C(N)Oc3cc(C)oc(=O)c23)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C19 compound treatment 0.38 0.131 4.89 0.374 0.124 5.69 7.4784 0.9972 3085916 TimTec1_004991 CC[n+]1ccc(/C=C/c2ccc(OC)c(OC)c2OC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C20 compound treatment 0.248 -5.81E-4 -0.02 0.249 -7.74E-4 -0.04 -0.0403 -0.9718 3085918 TimTec1_004992 Nc1nc(OCC(F)(F)F)cc(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C21 compound treatment 0.331 0.0824 3.07 0.303 0.0532 2.44 3.891 0.9935 3211998 TimTec1_004993 CC1CCN(CC1)C(=O)/C(=C/C=C\c2ccccc2)/NC(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C22 compound treatment 0.245 -0.00358 -0.13 0.241 -0.00877 -0.4 -0.3783 -0.8937 3085922 TimTec1_004994 Cc1nc2ccccc2c(=O)n1/N=C/c3ccc4ncccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C23 mock treatment 0.242 -0.00658 -0.24 0.244 -0.00577 -0.26 -0.36 -0.9993 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 C24 mock treatment 0.238 -0.0106 -0.39 0.235 -0.0148 -0.68 -0.7566 -0.9668 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D01 compound treatment 0.244 -0.00458 -0.17 0.247 -0.00277 -0.13 -0.2103 -0.9895 1018493 TimTec1_004995 CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D02 compound treatment 0.253 0.00442 0.16 0.254 0.00423 0.19 0.253 0.9967 1571869 TimTec1_004996 Cc1ccc(cc1)S(=O)(=O)NC(=O)SC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D03 compound treatment 0.276 0.0274 1.02 0.267 0.0172 0.79 1.2789 0.9919 1513997 TimTec1_004997 Cc1cccc(Oc2ncc(F)c(Oc3cccc(C)c3)n2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D04 compound treatment 0.262 0.0134 0.5 0.258 0.00823 0.38 0.6193 0.9904 1365828 TimTec1_004998 CSc1nc2NC(=CC(c3ccccc3)n2n1)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D05 compound treatment 0.284 0.0354 1.32 0.284 0.0342 1.57 2.0397 0.9963 3085925 TimTec1_004999 CCc1[o+]c(cc2cc(OC)c(OC)cc12)c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D06 compound treatment 0.252 0.00342 0.13 0.256 0.00623 0.29 0.2915 0.9339 1921582 TimTec1_005000 Cc1cc(C)n(n1)C(=O)c2ccc(cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D07 compound treatment 0.263 0.0144 0.54 0.263 0.0132 0.61 0.8074 0.9982 3211999 TimTec1_005001 O=C/1CCCC\C1=C\Nc2ccc(N/C=C\3/CCCCC3=O)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D08 compound treatment 0.258 0.00942 0.35 0.258 0.00823 0.38 0.5141 0.9993 1174633 TimTec1_005002 CC(NC(=O)c1cccc(N)c1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D09 compound treatment 0.262 0.0134 0.5 0.261 0.0112 0.51 0.7164 0.9999 1210964 TimTec1_005003 COc1ccc(cc1)C(C)c2cc3OCOc3cc2OCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D10 compound treatment 0.248 -5.81E-4 -0.02 0.246 -0.00377 -0.17 -0.1375 -0.7893 3212000 TimTec1_005004 Clc1ccc(NC(=O)c2cccs2)nc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D11 compound treatment 0.283 0.0344 1.28 0.282 0.0322 1.48 1.9486 0.9975 1124331 TimTec1_005005 CN(C)c1ccc(cc1)C(N2CCCCC2)c3cc4OCOc4cc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D12 compound treatment 0.247 -0.00158 -0.06 0.247 -0.00277 -0.13 -0.1314 -0.9387 1007160 TimTec1_005006 NC(=N)Nc1nc2ccccc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D13 compound treatment 0.338 0.0894 3.33 0.341 0.0912 4.18 5.3054 0.9936 3085929 TimTec1_005007 Cn1c(=O)n(C)c2nc([nH]c2c1=O)[n+]3ccc(cc3)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D14 compound treatment 0.249 4.19E-4 0.02 0.25 2.26E-4 0.01 0.0183 0.9801 1272092 TimTec1_005008 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc4ccccc4c3)c(S)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D15 compound treatment 0.254 0.00542 0.2 0.253 0.00323 0.15 0.247 0.9883 1371696 TimTec1_005009 OC(=O)Cn1ccsc1=N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D16 compound treatment 0.255 0.00642 0.24 0.257 0.00723 0.33 0.4028 0.9872 3085931 TimTec1_005010 CCOC(=O)N(c1ccccc1)S(=O)(=O)c2ccccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D17 compound treatment 0.265 0.0164 0.61 0.264 0.0142 0.65 0.8924 0.9995 1391232 TimTec1_005011 CCOc1nc2ccccc2c(=O)n1CCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D18 compound treatment 0.259 0.0104 0.39 0.259 0.00923 0.42 0.5727 0.9991 1600779 TimTec1_005012 NC(=O)c1c(oc2ccc(O)cc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D19 compound treatment 0.25 0.00142 0.05 0.25 2.26E-4 0.01 0.0446 0.8298 3085934 TimTec1_005013 Cn1cnnc1SC/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D20 compound treatment 0.307 0.0584 2.17 0.295 0.0452 2.07 3.0007 0.9997 3212001 TimTec1_005014 N(=c/1\[nH]c2c(ccc3ccccc23)s1)\c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D21 compound treatment 0.269 0.0204 0.76 0.27 0.0202 0.93 1.1919 0.9952 1597367 TimTec1_005015 OC(=O)C(CC(=O)c1ccc(Cl)cc1)SCc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D22 compound treatment 0.285 0.0364 1.35 0.283 0.0332 1.52 2.0336 0.9983 3212002 TimTec1_005016 N1N=C(SC=C1c2ccccc2)/N=C/c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D23 mock treatment 0.253 0.00442 0.16 0.249 -7.74E-4 -0.04 0.0912 0.5422 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 D24 mock treatment 0.242 -0.00658 -0.24 0.247 -0.00277 -0.13 -0.2629 -0.9533 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E01 compound treatment 0.247 -0.00158 -0.06 0.252 0.00223 0.1 0.0305 0.2592 1071315 TimTec1_005017 COc1ccc2c3CCCC(=O)c3ccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E02 compound treatment 0.278 0.0294 1.09 0.271 0.0212 0.97 1.461 0.9983 1454628 TimTec1_005018 Oc1ccc(C(=O)COc2ccccc2)c(O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E03 compound treatment 0.259 0.0104 0.39 0.259 0.00923 0.42 0.5727 0.9991 3085938 TimTec1_005019 CCOC(=O)Nc1nc2c(Cl)cccc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E04 compound treatment 0.261 0.0124 0.46 0.258 0.00823 0.38 0.593 0.9949 1030338 TimTec1_005020 COC(=O)c1nc[nH]c1C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E05 compound treatment 0.256 0.00742 0.28 0.257 0.00723 0.33 0.4291 0.9959 3085974 TimTec1_005021 CCOC(=O)n1c(=O)sc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E06 compound treatment 0.261 0.0124 0.46 0.259 0.00923 0.42 0.6253 0.999 3085976 TimTec1_005022 CN1CCN(CC2CCC=CC2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E07 compound treatment 0.257 0.00842 0.31 0.258 0.00823 0.38 0.4878 0.9958 1140829 TimTec1_005023 CN(C)S(=O)(=O)c1ccc(C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E08 compound treatment 0.27 0.0214 0.8 0.269 0.0192 0.88 1.1858 0.9988 1363499 TimTec1_005024 CCCN(CCO)CC1CCC=CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E09 compound treatment 0.267 0.0184 0.69 0.265 0.0152 0.7 0.9774 1.0 1427526 TimTec1_005025 O=c1c(Oc2ccccc2)coc3cc(OCc4ccccc4)ccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E10 compound treatment 0.26 0.0114 0.42 0.259 0.00923 0.42 0.599 1.0 1637231 TimTec1_005026 COC1(CCCC2(CCC1)C(=O)O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E11 compound treatment 0.266 0.0174 0.65 0.263 0.0132 0.61 0.8863 0.9994 1442714 TimTec1_005027 CCOC(=O)c1ccc(o1)c2coc3cc(O)cc(O)c3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E12 compound treatment 0.276 0.0274 1.02 0.289 0.0392 1.8 1.9911 0.964 1234769 TimTec1_005028 COc1ccc(cc1)c2cc(NC(=O)Nc3ccccc3)n(n2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E13 compound treatment 0.262 0.0134 0.5 0.264 0.0142 0.65 0.8135 0.9914 1381033 TimTec1_005029 COc1cc(Cl)cc(C(=O)O)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E14 compound treatment 0.254 0.00542 0.2 0.255 0.00523 0.24 0.3117 0.9964 1056436 TimTec1_005030 CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E15 compound treatment 0.258 0.00942 0.35 0.257 0.00723 0.33 0.4817 0.9996 1074483 TimTec1_005031 CCN(C(=O)Nc1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E16 compound treatment 0.362 0.113 4.22 0.356 0.106 4.86 6.4222 0.9975 3212003 TimTec1_005032 Cc1s/c(=N/c2ccccc2)/[nH]c1c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E17 compound treatment 0.342 0.0934 3.47 0.342 0.0922 4.22 5.4429 0.9953 3212004 TimTec1_005033 C(=N/c1cc(nn1c2ccccc2)c3ccccc3)\c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E18 compound treatment 0.265 0.0164 0.61 0.266 0.0162 0.74 0.9572 0.9953 3085984 TimTec1_005034 COc1ccc(/C=C/2\C(=NC(=NC2=O)S)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E19 compound treatment 0.25 0.00142 0.05 0.251 0.00123 0.06 0.077 0.9995 3212005 TimTec1_005035 CCc1ccc(NC(=O)CSc2nncn2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E20 compound treatment 0.257 0.00842 0.31 0.259 0.00923 0.42 0.5201 0.9891 3085985 TimTec1_005036 Cc1cc(nc(N)n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E21 compound treatment 0.245 -0.00358 -0.13 0.246 -0.00377 -0.17 -0.2164 -0.9917 3212006 TimTec1_005037 Cc1ccc(cc1)C(=O)N/C(=C\C=C/c2ccccc2)/C(=O)NCC3CCCO3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E22 compound treatment 0.288 0.0394 1.47 0.284 0.0342 1.57 2.1449 0.9994 3085988 TimTec1_005038 Oc1ccc(/C=N\C2c3ccccc3-c4ccccc24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E23 mock treatment 0.254 0.00542 0.2 0.254 0.00423 0.19 0.2793 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 E24 mock treatment 0.249 4.19E-4 0.02 0.255 0.00523 0.24 0.1802 0.7516 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F01 compound treatment 1.086 0.837 31.15 1.088 0.838 38.38 49.1636 0.9946 3212007 TimTec1_005039 C[n+]1c(/C=C/Nc2ccccc2)sc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F02 compound treatment 0.259 0.0104 0.39 0.256 0.00623 0.29 0.4756 0.9886 3085989 TimTec1_005040 Cn1c(=O)[nH]c(=O)c2n3CCCC(c3nc12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F03 compound treatment 0.263 0.0144 0.54 0.262 0.0122 0.56 0.7751 0.9998 3212008 TimTec1_005041 Clc1ccc(cc1)c2nc3sc4CCCCc4c3c(=O)[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F04 compound treatment 0.271 0.0224 0.83 0.272 0.0222 1.02 1.3092 0.9951 1188459 TimTec1_005042 OC(CN(Cc1ccccc1)Cc2ccccc2)Cn3c4ccccc4c5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F05 compound treatment 0.288 0.0394 1.47 0.292 0.0422 1.93 2.4039 0.9907 3085992 TimTec1_005043 COC(=O)C(Cc1c[nH]c2ccccc12)/N=C/c3cc(Cl)cc(Cl)c3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F06 compound treatment 0.258 0.00942 0.35 0.258 0.00823 0.38 0.5141 0.9993 1464296 TimTec1_005044 CCCOC(=O)c1c(N)sc2CCCCc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F07 compound treatment 0.267 0.0184 0.69 0.265 0.0152 0.7 0.9774 1.0 3085994 TimTec1_005045 CC1(C)CC(=O)C/C(=N\CC(=O)O)/C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F08 compound treatment 0.275 0.0264 0.98 0.277 0.0272 1.25 1.5763 0.9931 3212009 TimTec1_005046 COc1cccc(c1)c2nnc(o2)c3ccc(NC(=O)C(F)(F)F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F09 compound treatment 0.262 0.0134 0.5 0.261 0.0112 0.51 0.7164 0.9999 1692415 TimTec1_005047 COc1ccccc1C(C2=C(O)COC2=O)c3cc4OCOc4cc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F10 compound treatment 0.307 0.0584 2.17 0.302 0.0522 2.39 3.2274 0.9989 1261046 TimTec1_005048 O=C(Nc1nccs1)c2ccccc2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F11 compound treatment 0.275 0.0264 0.98 0.271 0.0212 0.97 1.3821 1.0 1427389 TimTec1_005049 Oc1cc2OCOc2cc1C(Nc3ccccn3)c4ccc5OCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F12 compound treatment 0.297 0.0484 1.8 0.291 0.0412 1.89 2.6082 0.9997 1182617 TimTec1_005050 CC(C)(C)C(=O)C1C2CCC1C(O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F13 compound treatment 0.268 0.0194 0.72 0.268 0.0182 0.83 1.1008 0.9974 1471843 TimTec1_005051 Cn1c(SCC(=O)OCC(=O)c2ccc(Br)cc2)nc3n(C)c(=O)[nH]c(=O)c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F14 compound treatment 0.255 0.00642 0.24 0.256 0.00623 0.29 0.3704 0.9961 1227820 TimTec1_005052 CC1CCN(CC1)C(=O)COc2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F15 compound treatment 0.262 0.0134 0.5 0.261 0.0112 0.51 0.7164 0.9999 1067946 TimTec1_005053 Cc1nnc(o1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F16 compound treatment 0.263 0.0144 0.54 0.261 0.0112 0.51 0.7427 0.9998 3212010 TimTec1_005054 CCOC(=O)N(c1ccccc1)S(=O)(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F17 compound treatment 0.27 0.0214 0.8 0.269 0.0192 0.88 1.1858 0.9988 1743351 TimTec1_005055 CCOC(=O)CNc1nc(N)n[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F18 compound treatment 0.267 0.0184 0.69 0.27 0.0202 0.93 1.1393 0.989 3212069 TimTec1_005056 Sc1nnc2c3cc(Br)ccc3n(CC=C)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F19 compound treatment 0.267 0.0184 0.69 0.265 0.0152 0.7 0.9774 1.0 3086039 TimTec1_005057 OC(=O)c1ccc(Sc2ccccn2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F20 compound treatment 0.298 0.0494 1.84 0.292 0.0422 1.93 2.6669 0.9997 3212070 TimTec1_005058 CC1SC(=NNC1=O)/N=C/c2ccc(cc2)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F21 compound treatment 0.264 0.0154 0.57 0.264 0.0142 0.65 0.8661 0.998 1338088 TimTec1_005059 Cc1ccc(cc1)C(=O)CC(SC2CCCCC2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F22 compound treatment 0.253 0.00442 0.16 0.255 0.00523 0.24 0.2854 0.9832 3212071 TimTec1_005060 Cc1c(/N=c/2\scc(c3ccccc3)n2c4ccccc4)c(=O)n(c5ccccc5)n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F23 mock treatment 0.261 0.0124 0.46 0.259 0.00923 0.42 0.6253 0.999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 F24 mock treatment 0.25 0.00142 0.05 0.255 0.00523 0.24 0.2065 0.8428 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G01 compound treatment 0.246 -0.00258 -0.1 0.247 -0.00277 -0.13 -0.1577 -0.9905 3086042 TimTec1_005061 CCOC(=O)C1=C(O)C(=O)N(C1)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G02 compound treatment 0.255 0.00642 0.24 0.253 0.00323 0.15 0.2733 0.9733 3212072 TimTec1_005062 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G03 compound treatment 0.25 0.00142 0.05 0.252 0.00223 0.1 0.1094 0.9531 1400641 TimTec1_005063 C=CCON1C(=O)C2C3OC(C=C3)C2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G04 compound treatment 0.259 0.0104 0.39 0.258 0.00823 0.38 0.5404 0.9999 3212073 TimTec1_005064 C[N+](C)(C)[C@H]1C(O)O[C@@H]2C(O)CO[C@H]12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G05 compound treatment 0.245 -0.00358 -0.13 0.246 -0.00377 -0.17 -0.2164 -0.9917 1411352 TimTec1_005065 C(N1CCN(CC1)C(c2ccccc2)c3ccccc3)C4(OCCO4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G06 compound treatment 0.255 0.00642 0.24 0.257 0.00723 0.33 0.4028 0.9872 3212074 TimTec1_005066 CN1CCN(Cc2ccc[nH]2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G07 compound treatment 0.258 0.00942 0.35 0.255 0.00523 0.24 0.4169 0.9827 3086046 TimTec1_005067 COc1ccc(cc1)c2nc3ccsc3c(=O)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G08 compound treatment 0.259 0.0104 0.39 0.256 0.00623 0.29 0.4756 0.9886 1405970 TimTec1_005068 CN(C)CCN(CC1CC2CC1C=C2)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G09 compound treatment 0.252 0.00342 0.13 0.253 0.00323 0.15 0.1944 0.9972 1084368 TimTec1_005069 OC(=O)C1CSC2(CCCCC2)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G10 compound treatment 0.319 0.0704 2.62 0.308 0.0582 2.67 3.7372 1.0 1144864 TimTec1_005070 CCN1C(=O)c2cccc3c(NC(=O)C)ccc1c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G11 compound treatment 0.253 0.00442 0.16 0.253 0.00323 0.15 0.2207 0.9986 3212075 TimTec1_005071 Cc1[nH]cnc1C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G12 compound treatment 0.259 0.0104 0.39 0.262 0.0122 0.56 0.6699 0.9839 1717981 TimTec1_005072 Oc1ccc(=O)n(CN(c2ccccc2)c3ccccc3)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G13 compound treatment 0.258 0.00942 0.35 0.259 0.00923 0.42 0.5464 0.9957 1174597 TimTec1_005073 CCc1cc2OCCOc2cc1C(=O)CCN3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G14 compound treatment 0.25 0.00142 0.05 0.249 -7.74E-4 -0.04 0.0123 0.1929 3086051 TimTec1_005074 CC1CC(C)(C)N=C(O1)C(=C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G15 compound treatment 0.255 0.00642 0.24 0.257 0.00723 0.33 0.4028 0.9872 1409343 TimTec1_005075 O=C1N(CNN2CCCc3ccccc23)C(=O)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G16 compound treatment 0.255 0.00642 0.24 0.254 0.00423 0.19 0.3057 0.9946 1629224 TimTec1_005076 CSc1ccc(cc1)c2[nH]c(=N)sc2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G17 compound treatment 0.251 0.00242 0.09 0.252 0.00223 0.1 0.1357 0.9981 1378559 TimTec1_005077 CCN(CC)c1nc(NC(C)(C)C)nc(NC(C)(C)C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G18 compound treatment 0.263 0.0144 0.54 0.263 0.0132 0.61 0.8074 0.9982 1733553 TimTec1_005078 Oc1nc2CCCc2c(=O)n1C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G19 compound treatment 0.256 0.00742 0.28 0.256 0.00623 0.29 0.3967 0.9999 3086099 TimTec1_005079 Clc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G20 compound treatment 0.256 0.00742 0.28 0.257 0.00723 0.33 0.4291 0.9959 1367022 TimTec1_005080 Oc1ccccc1OCC(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G21 compound treatment 0.249 4.19E-4 0.02 0.25 2.26E-4 0.01 0.0183 0.9801 3212076 TimTec1_005081 O=C(NCC1CCCO1)/C(=C/c2ccccc2)/NC(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G22 compound treatment 0.247 -0.00158 -0.06 0.248 -0.00177 -0.08 -0.099 -0.9874 3086101 TimTec1_005082 O=S(=O)(c1ccc(/N=C\c2ccncc2)cc1)c3ccc(/N=C\c4ccncc4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G23 mock treatment 0.254 0.00542 0.2 0.251 0.00123 0.06 0.1822 0.8709 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 G24 mock treatment 0.252 0.00342 0.13 0.252 0.00223 0.1 0.162 0.994 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H01 compound treatment 1.521 1.27 47.33 1.403 1.15 52.8 70.803 0.9985 3212077 TimTec1_005083 CC[n+]1c(/C=C/Nc2ccccc2)sc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H02 compound treatment 0.252 0.00342 0.13 0.248 -0.00177 -0.08 0.0325 0.2153 1673284 TimTec1_005084 CC(=C)c1cccc(c1)C(C)(C)NC(=O)NCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H03 compound treatment 0.259 0.0104 0.39 0.26 0.0102 0.47 0.6051 0.9956 3086104 TimTec1_005085 Clc1nc(nc2sc3CCCCc3c12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H04 compound treatment 0.26 0.0114 0.42 0.263 0.0132 0.61 0.7285 0.9849 3212078 TimTec1_005086 CCN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3)C2=O)/c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H05 compound treatment 0.256 0.00742 0.28 0.256 0.00623 0.29 0.3967 0.9999 1072337 TimTec1_005087 CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H06 compound treatment 0.271 0.0224 0.83 0.273 0.0232 1.06 1.3416 0.9928 1560027 TimTec1_005088 Cc1ccccc1C(=O)Nc2cc3CCCCc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H07 compound treatment 0.261 0.0124 0.46 0.26 0.0102 0.47 0.6577 1.0 3086107 TimTec1_005089 OC(=O)c1ccc(/N=C/c2cccnc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H08 compound treatment 0.279 0.0304 1.13 0.272 0.0222 1.02 1.5196 0.9986 1735547 TimTec1_005090 O=C1CCC(=O)N1c2ccc3c(c2)oc4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H09 compound treatment 0.261 0.0124 0.46 0.262 0.0122 0.56 0.7225 0.9954 1148656 TimTec1_005091 COc1ccccc1C(C2=C(COC2=O)OC(=O)C)c3cc4OCOc4cc3OC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H10 compound treatment 0.277 0.0284 1.06 0.259 0.00923 0.42 1.0462 0.919 3212079 TimTec1_005092 Fc1ccccc1NC(=O)CSCC(=O)Nc2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H11 compound treatment 0.263 0.0144 0.54 0.26 0.0102 0.47 0.7103 0.9977 1232879 TimTec1_005093 COc1ccc(cc1)C(N2CCOCC2)c3cc4OCOc4cc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H12 compound treatment 0.243 -0.00558 -0.21 0.253 0.00323 0.15 -0.0423 -0.1662 1704797 TimTec1_005094 O=C(CCc1ccccc1)N2CCN(CC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H13 compound treatment 0.262 0.0134 0.5 0.259 0.00923 0.42 0.6516 0.9966 1531317 TimTec1_005095 CCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H14 compound treatment 0.265 0.0164 0.61 0.265 0.0152 0.7 0.9248 0.9978 1213903 TimTec1_005096 CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(OCc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H15 compound treatment 0.257 0.00842 0.31 0.259 0.00923 0.42 0.5201 0.9891 3212080 TimTec1_005097 CSc1nc(N)c(C#N)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H16 compound treatment 0.255 0.00642 0.24 0.252 0.00223 0.1 0.2409 0.9279 1603630 TimTec1_005098 CCOC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H17 compound treatment 0.271 0.0224 0.83 0.271 0.0212 0.97 1.2769 0.9971 1625154 TimTec1_005099 CCn1c(=O)c(C(=O)NC)c(O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H18 compound treatment 0.249 4.19E-4 0.02 0.25 2.26E-4 0.01 0.0183 0.9801 3212081 TimTec1_005100 COc1ccc(c2n[nH]c(C)c2Oc3ccccc3)c(O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H19 compound treatment 0.257 0.00842 0.31 0.259 0.00923 0.42 0.5201 0.9891 1424497 TimTec1_005101 CCOC(=O)C1=C(C)NC(=O)NC1c2c(Cl)nc3c(C)cccn3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H20 compound treatment 0.275 0.0264 0.98 0.27 0.0202 0.93 1.3497 0.9996 3212082 TimTec1_005102 COc1ccc(/C=N/C2=NNC(=O)CS2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H21 compound treatment 0.256 0.00742 0.28 0.254 0.00423 0.19 0.332 0.9849 1547308 TimTec1_005103 CC(C)(C)c1ccc(cc1)C(=O)CC(SC2CCCCC2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H22 compound treatment 0.284 0.0354 1.32 0.279 0.0292 1.34 1.8778 1.0 3212083 TimTec1_005104 COc1ccc(/C=N/C2=NNC(=CS2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H23 mock treatment 0.253 0.00442 0.16 0.254 0.00423 0.19 0.253 0.9967 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 H24 mock treatment 0.256 0.00742 0.28 0.255 0.00523 0.24 0.3643 0.9975 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I01 compound treatment 0.25 0.00142 0.05 0.244 -0.00577 -0.26 -0.1496 -0.555 1210543 TimTec1_005105 O=C(c1ccccc1)C2(OCCCCO2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I02 compound treatment 0.259 0.0104 0.39 0.261 0.0112 0.51 0.6375 0.9903 3212084 TimTec1_005106 CN1C(=O)/C(=C\NC(=O)C)/C(=C(C#N)C1=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I03 compound treatment 0.259 0.0104 0.39 0.259 0.00923 0.42 0.5727 0.9991 1253003 TimTec1_005107 COC(C)OC(=O)Cn1c(=O)sc2cccc(Cl)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I04 compound treatment 0.257 0.00842 0.31 0.258 0.00823 0.38 0.4878 0.9958 1054992 TimTec1_005108 Brc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I05 compound treatment 0.271 0.0224 0.83 0.271 0.0212 0.97 1.2769 0.9971 3212085 TimTec1_005109 Cc1ccccc1Nc2cc(C)c(C#N)c3nc4ccccc4n23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I06 compound treatment 0.266 0.0174 0.65 0.266 0.0162 0.74 0.9835 0.9977 1286333 TimTec1_005110 CCn1c2ccccc2c3cc(CN(C)Cc4ccccc4)ccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I07 compound treatment 0.315 0.0664 2.47 0.32 0.0702 3.22 4.0205 0.9915 1318051 TimTec1_005111 COc1ccc2OCc3ccccc3C(O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I08 compound treatment 0.26 0.0114 0.42 0.259 0.00923 0.42 0.599 1.0 1348090 TimTec1_005112 CN(C)CCN(Cc1ccsc1)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I09 compound treatment 0.25 0.00142 0.05 0.253 0.00323 0.15 0.1418 0.9038 1334512 TimTec1_005113 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C34CC5CC4CCC(C5)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I10 compound treatment 0.732 0.483 17.98 0.708 0.458 20.98 27.55 0.997 1920628 TimTec1_005114 CN1/C(=C/C(=O)c2ccco2)/Sc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I11 compound treatment 0.258 0.00942 0.35 0.258 0.00823 0.38 0.5141 0.9993 3086180 TimTec1_005115 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I12 compound treatment 0.275 0.0264 0.98 0.258 0.00823 0.38 0.9612 0.9133 3212145 TimTec1_005116 CCOc1ccc(cc1)c2n[nH]c(=S)[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I13 compound treatment 0.258 0.00942 0.35 0.259 0.00923 0.42 0.5464 0.9957 3086182 TimTec1_005117 O=C(Nn1cnnc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I14 compound treatment 0.267 0.0184 0.69 0.267 0.0172 0.79 1.0422 0.9975 3212146 TimTec1_005118 CCOc1ccc(/C=C/C(=O)Sc2ccc(Cl)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I15 compound treatment 0.251 0.00242 0.09 0.252 0.00223 0.1 0.1357 0.9981 1487889 TimTec1_005119 OC(CNCN1C(=O)c2ccccc2C1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I16 compound treatment 0.26 0.0114 0.42 0.259 0.00923 0.42 0.599 1.0 3212147 TimTec1_005120 Cc1cc(C)c(C#N)c(SCC=C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I17 compound treatment 0.272 0.0234 0.87 0.272 0.0222 1.02 1.3355 0.997 1921119 TimTec1_005121 CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(n1)N(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I18 compound treatment 0.264 0.0154 0.57 0.264 0.0142 0.65 0.8661 0.998 3086186 TimTec1_005122 CS/C(=N\C#N)/NC1CCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I19 compound treatment 0.268 0.0194 0.72 0.265 0.0152 0.7 1.0037 0.9998 3212148 TimTec1_005123 O=C/1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I20 compound treatment 0.27 0.0214 0.8 0.27 0.0202 0.93 1.2182 0.9972 1623935 TimTec1_005124 CCN(CC)c1ccc(N=C2C(=C(C#N)C#N)c3ccccc3C2=C(C#N)C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I21 compound treatment 0.296 0.0474 1.76 0.296 0.0462 2.12 2.7438 0.9959 3086189 TimTec1_005125 COCCN1C(=O)/C(=C\c2ccc3OCOc3c2)/SC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I22 compound treatment 0.262 0.0134 0.5 0.264 0.0142 0.65 0.8135 0.9914 3212149 TimTec1_005126 COc1cc2CC[C@H](NC(=O)C(F)(F)F)c3cc(=O)c(O)ccc3-c2c(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I23 mock treatment 0.261 0.0124 0.46 0.261 0.0112 0.51 0.6901 0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 I24 mock treatment 0.256 0.00742 0.28 0.254 0.00423 0.19 0.332 0.9849 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J01 compound treatment 0.232 -0.0166 -0.62 0.238 -0.0118 -0.54 -0.8173 -0.9978 3086191 TimTec1_005127 CC(C)C1CCC(C)CC1OC(=O)CN2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J02 compound treatment 0.252 0.00342 0.13 0.253 0.00323 0.15 0.1944 0.9972 1218294 TimTec1_005128 CC(C)(C)C(=O)NC(=S)Nc1cccc(O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J03 compound treatment 0.248 -5.81E-4 -0.02 0.246 -0.00377 -0.17 -0.1375 -0.7893 1240106 TimTec1_005129 C(Nc1ncnc2sc3CCCCc3c12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J04 compound treatment 0.251 0.00242 0.09 0.253 0.00323 0.15 0.1681 0.9718 1554580 TimTec1_005130 Ic1ccccc1NC(=O)C2CN(C(=O)C2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J05 compound treatment 0.256 0.00742 0.28 0.258 0.00823 0.38 0.4615 0.9883 3212150 TimTec1_005131 OC(=O)C(Cc1c[nH]cn1)/N=C/c2cccc(CC=C)c2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J06 compound treatment 0.293 0.0444 1.65 0.289 0.0392 1.8 2.4383 0.9991 1532567 TimTec1_005132 CCCOc1ccccc1C2NC(=S)NC(=C2C(=O)OC3CCCC(C)C3)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J07 compound treatment 0.258 0.00942 0.35 0.258 0.00823 0.38 0.5141 0.9993 3086259 TimTec1_005133 O=S(=O)(C1CCS(=O)(=O)C1)C2CCS(=O)(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J08 compound treatment 0.302 0.0534 1.99 0.302 0.0522 2.39 3.0959 0.9958 1186821 TimTec1_005134 Cc1cc(C)c(NC(=O)C2CC3C4C=CC=CC4C2c5ccccc35)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J09 compound treatment 0.254 0.00542 0.2 0.255 0.00523 0.24 0.3117 0.9964 3212151 TimTec1_005135 COc1ccccc1C2C(C)C(C)(O)Oc3cc4OCOc4cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J10 compound treatment 0.257 0.00842 0.31 0.258 0.00823 0.38 0.4878 0.9958 1139775 TimTec1_005136 Cc1cc(C(=O)O)c(CSc2ncn[nH]2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J11 compound treatment 0.25 0.00142 0.05 0.251 0.00123 0.06 0.077 0.9995 1141408 TimTec1_005137 Cc1ccccc1Cn2cnc3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J12 compound treatment 0.253 0.00442 0.16 0.25 2.26E-4 0.01 0.1235 0.7501 1449011 TimTec1_005138 Cc1ccc(N2C(=O)CC(=O)N(C2=O)c3ccc(C)cc3C)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J13 compound treatment 0.246 -0.00258 -0.1 0.244 -0.00577 -0.26 -0.2548 -0.906 1586155 TimTec1_005139 CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccccn3)C(=O)Nc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J14 compound treatment 0.251 0.00242 0.09 0.254 0.00423 0.19 0.2004 0.9393 3086263 TimTec1_005140 CC(C)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J15 compound treatment 0.274 0.0254 0.95 0.278 0.0282 1.29 1.5824 0.9882 1332067 TimTec1_005141 CCOC(=O)c1c(C)oc(NC(=O)Nc2ccc(F)cc2)c1C(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J16 compound treatment 0.256 0.00742 0.28 0.254 0.00423 0.19 0.332 0.9849 1544744 TimTec1_005142 Cc1c(OCc2ccc(F)cc2)ccc3c4CCCCc4c(=O)oc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J17 compound treatment 0.262 0.0134 0.5 0.267 0.0172 0.79 0.9106 0.9756 1496408 TimTec1_005143 CCc1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J18 compound treatment 0.252 0.00342 0.13 0.252 0.00223 0.1 0.162 0.994 1851913 TimTec1_005144 CC(C)CC(N1C(=O)C2C(C3c4ccccc4C2c5ccccc35)C1=O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J19 compound treatment 0.262 0.0134 0.5 0.262 0.0122 0.56 0.7488 0.9984 1716165 TimTec1_005145 NC(=O)c1sc(=S)n(c1N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J20 compound treatment 0.277 0.0284 1.06 0.272 0.0222 1.02 1.467 0.9998 3086267 TimTec1_005146 CC1SC(=NNC1=O)/N=C/c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J21 compound treatment 0.248 -5.81E-4 -0.02 0.249 -7.74E-4 -0.04 -0.0403 -0.9718 3212152 TimTec1_005147 OC(=O)C(CC(=O)c1ccc(Cl)cc1)N(Cc2ccccc2)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J22 compound treatment 0.254 0.00542 0.2 0.249 -7.74E-4 -0.04 0.1175 0.5739 3086269 TimTec1_005148 C=CCN1C(SC=C1c2ccccc2)/N=C/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J23 mock treatment 0.255 0.00642 0.24 0.254 0.00423 0.19 0.3057 0.9946 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 J24 mock treatment 0.242 -0.00658 -0.24 0.249 -7.74E-4 -0.04 -0.1981 -0.8012 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K01 compound treatment 0.296 0.0474 1.76 0.278 0.0282 1.29 2.161 0.9883 1023027 TimTec1_005149 Oc1ccccc1C(=O)CC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K02 compound treatment 0.257 0.00842 0.31 0.251 0.00123 0.06 0.2611 0.8208 3212153 TimTec1_005150 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K03 compound treatment 0.223 -0.0256 -0.95 0.226 -0.0238 -1.09 -1.4425 -0.9978 3086271 TimTec1_005151 CC(C)NC(=O)C[n+]1csc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K04 compound treatment 0.251 0.00242 0.09 0.254 0.00423 0.19 0.2004 0.9393 1118603 TimTec1_005152 CN1CCN(Cc2cc(Br)cs2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K05 compound treatment 0.266 0.0174 0.65 0.265 0.0152 0.7 0.9511 0.9993 3212154 TimTec1_005153 CC(O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K06 compound treatment 0.248 -5.81E-4 -0.02 0.253 0.00323 0.15 0.0892 0.5974 3086274 TimTec1_005154 CN(Cc1ccccc1)Cc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K07 compound treatment 0.253 0.00442 0.16 0.256 0.00623 0.29 0.3178 0.9658 3212155 TimTec1_005155 O=C(/C=C/c1cccc(Oc2ccccc2)c1)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K08 compound treatment 0.258 0.00942 0.35 0.257 0.00723 0.33 0.4817 0.9996 1586101 TimTec1_005156 CN(C)CCN(Cc1ccccc1)Cc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K09 compound treatment 0.256 0.00742 0.28 0.258 0.00823 0.38 0.4615 0.9883 1051443 TimTec1_005157 FC(F)(F)CN1C(=O)c2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K10 compound treatment 0.27 0.0214 0.8 0.268 0.0182 0.83 1.1534 0.9997 1698764 TimTec1_005158 COc1ccc(NCc2cn3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K11 compound treatment 0.249 4.19E-4 0.02 0.247 -0.00277 -0.13 -0.0788 -0.6157 3212156 TimTec1_005159 N#CCCN1CCCC2(CCCC2)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K12 compound treatment 0.266 0.0174 0.65 0.266 0.0162 0.74 0.9835 0.9977 3212157 TimTec1_005160 O=C/1N=C(S\C1=C/c2cccs2)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K13 compound treatment 0.254 0.00542 0.2 0.259 0.00923 0.42 0.4412 0.9427 1604720 TimTec1_005161 CCc1c(C)nc2ccccc2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K14 compound treatment 0.244 -0.00458 -0.17 0.246 -0.00377 -0.17 -0.2427 -1.0 3212158 TimTec1_005162 Cc1cc(C)cc(Nc2csc(N/C=N\O)n2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K15 compound treatment 0.262 0.0134 0.5 0.262 0.0122 0.56 0.7488 0.9984 3086348 TimTec1_005163 OC(=O)c1ccccc1NCn2nnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K16 compound treatment 0.252 0.00342 0.13 0.255 0.00523 0.24 0.2591 0.9563 3212159 TimTec1_005164 Clc1ccc(cc1)C2=CC=C(C#N)C(N2)SCc3nc4ccccc4[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K17 compound treatment 0.264 0.0154 0.57 0.268 0.0182 0.83 0.9956 0.9833 1472272 TimTec1_005165 CNc1nc(nc(n1)N2CCOCC2)N(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K18 compound treatment 0.284 0.0354 1.32 0.289 0.0392 1.8 2.2015 0.9884 3086351 TimTec1_005166 CCCC1CCC(CC1)c2ccc(cc2)/C(=N/O)/N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K19 compound treatment 0.27 0.0214 0.8 0.271 0.0212 0.97 1.2506 0.9951 3212160 TimTec1_005167 NS(=O)(=O)c1ccc(cc1)c2ccc(/C=C/3\SC(=S)N(Cc4ccccc4)C3=O)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K20 compound treatment 0.255 0.00642 0.24 0.255 0.00523 0.24 0.338 1.0 1130551 TimTec1_005168 COc1ccc(cc1)N(C(=O)c2ccco2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K21 compound treatment 0.266 0.0174 0.65 0.267 0.0172 0.79 1.0159 0.9952 3212161 TimTec1_005169 FC(F)(F)c1ccccc1NC(NC(=O)c2ccco2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K22 compound treatment 0.257 0.00842 0.31 0.26 0.0102 0.47 0.5525 0.9809 1915266 TimTec1_005170 Cc1cc[n+](CCC(=O)O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K23 mock treatment 0.262 0.0134 0.5 0.259 0.00923 0.42 0.6516 0.9966 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 K24 mock treatment 0.249 4.19E-4 0.02 0.251 0.00123 0.06 0.0507 0.8706 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L01 compound treatment 0.259 0.0104 0.39 0.257 0.00723 0.33 0.508 0.9969 1383984 TimTec1_005171 CCC1=CC(C)(CC)Nc2cc(C)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L02 compound treatment 0.257 0.00842 0.31 0.258 0.00823 0.38 0.4878 0.9958 1409216 TimTec1_005172 COc1cc(cc(OC)c1OC)C(=O)N(C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L03 compound treatment 0.256 0.00742 0.28 0.255 0.00523 0.24 0.3643 0.9975 1273531 TimTec1_005173 OCC(O)C1OC(OCC1O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L04 compound treatment 0.282 0.0334 1.24 0.274 0.0242 1.11 1.6633 0.9984 1385587 TimTec1_005174 Cc1ccc(cc1)N2CC(CC2=O)C(=O)Nc3c(C)cccc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L05 compound treatment 0.285 0.0364 1.35 0.279 0.0292 1.34 1.9041 1.0 3212235 TimTec1_005175 OC(=O)C(Cc1ccc(O)cc1)/N=C/c2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L06 compound treatment 0.263 0.0144 0.54 0.263 0.0132 0.61 0.8074 0.9982 3086357 TimTec1_005176 COC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L07 compound treatment 0.254 0.00542 0.2 0.255 0.00523 0.24 0.3117 0.9964 1333937 TimTec1_005177 O=S(=O)(C1CCS(=O)(=O)C1)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L08 compound treatment 0.257 0.00842 0.31 0.258 0.00823 0.38 0.4878 0.9958 1533793 TimTec1_005178 Cc1ccc(NC(=O)C2C(C=CC(C2C(=O)O)c3ccccc3)c4ccccc4)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L09 compound treatment 0.294 0.0454 1.69 0.299 0.0492 2.25 2.7883 0.9899 1611679 TimTec1_005179 COc1ccc(cc1)C(C2=C(O)CCCC2=O)c3cc4OCOc4cc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L10 compound treatment 0.259 0.0104 0.39 0.257 0.00723 0.33 0.508 0.9969 1081231 TimTec1_005180 O=C1N(C(=O)c2nccnc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L11 compound treatment 0.3 0.0514 1.91 0.302 0.0522 2.39 3.0433 0.9939 1700569 TimTec1_005181 CCOC(=O)C1=C(O)c2ccccc2NC(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L12 compound treatment 0.274 0.0254 0.95 0.273 0.0232 1.06 1.4205 0.9983 1371927 TimTec1_005182 Cc1cccc2c(cc(nc12)c3ccccc3)C(=O)NC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L13 compound treatment 0.268 0.0194 0.72 0.259 0.00923 0.42 0.8094 0.9674 3086362 TimTec1_005183 Cc1cc2ncc(nc2cc1C)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L14 compound treatment 0.281 0.0324 1.21 0.278 0.0282 1.29 1.7665 0.9994 1442595 TimTec1_005184 CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)Nc3ccc(I)cc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L15 compound treatment 0.298 0.0494 1.84 0.288 0.0382 1.75 2.5374 0.9997 3086440 TimTec1_005185 CCOC(=O)/C(=C(/N)\c1cc2cccc(OC)c2oc1=O)/C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L16 compound treatment 0.277 0.0284 1.06 0.272 0.0222 1.02 1.467 0.9998 1612648 TimTec1_005186 CC1CCN(Cc2cc3c(cc(=O)oc3c(C)c2O)c4ccccc4)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L17 compound treatment 0.264 0.0154 0.57 0.265 0.0152 0.7 0.8985 0.9953 3212236 TimTec1_005187 Cn1cnnc1SCc2cccc(CSc3nncn3C)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L18 compound treatment 0.26 0.0114 0.42 0.264 0.0142 0.65 0.7609 0.9785 3086444 TimTec1_005188 CCN(CC)c1ccc(/N=C/c2ccc3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L19 compound treatment 0.256 0.00742 0.28 0.245 -0.00477 -0.22 0.0406 0.1152 1589064 TimTec1_005189 Clc1c(sc2ccccc12)C(=O)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L20 compound treatment 0.337 0.0884 3.29 0.328 0.0782 3.58 4.8582 0.9991 3212237 TimTec1_005190 CC1SC(=NNC1=O)/N=C/c2ccc(O)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L21 compound treatment 0.254 0.00542 0.2 0.253 0.00323 0.15 0.247 0.9883 3086447 TimTec1_005191 CC(NC(CC(=O)c1ccc(F)cc1)C(=O)O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L22 compound treatment 0.265 0.0164 0.61 0.266 0.0162 0.74 0.9572 0.9953 1451936 TimTec1_005192 CCCc1cc(=O)oc2cc(OCc3ccccc3)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L23 mock treatment 0.256 0.00742 0.28 0.254 0.00423 0.19 0.332 0.9849 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 L24 mock treatment 0.25 0.00142 0.05 0.249 -7.74E-4 -0.04 0.0123 0.1929 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M01 compound treatment 0.225 -0.0236 -0.88 0.237 -0.0128 -0.58 -1.0338 -0.9806 3086449 TimTec1_005193 CCOC(=O)CN1CCN(CC1)C=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M02 compound treatment 0.265 0.0164 0.61 0.265 0.0152 0.7 0.9248 0.9978 3212238 TimTec1_005194 O=C(/C=C\Nc1cccc(N/C=C\C(=O)c2ccccc2)c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M03 compound treatment 0.257 0.00842 0.31 0.258 0.00823 0.38 0.4878 0.9958 1445055 TimTec1_005195 Cc1ccccc1OC(=O)Cn2c(=O)sc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M04 compound treatment 0.259 0.0104 0.39 0.257 0.00723 0.33 0.508 0.9969 1718720 TimTec1_005196 CN1CCN(Cc2coc3ccccc3c2=O)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M05 compound treatment 0.257 0.00842 0.31 0.258 0.00823 0.38 0.4878 0.9958 1415720 TimTec1_005197 OCC1Sc2ccccc2NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M06 compound treatment 0.259 0.0104 0.39 0.257 0.00723 0.33 0.508 0.9969 1643885 TimTec1_005198 NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M07 compound treatment 0.262 0.0134 0.5 0.26 0.0102 0.47 0.684 0.9995 3212239 TimTec1_005199 COc1ccc2c3CC[C@](C)(CCC(=O)O)C(=O)c3ccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M08 compound treatment 0.278 0.0294 1.09 0.272 0.0222 1.02 1.4933 0.9993 3086453 TimTec1_005200 Cc1ccc(C(=O)Sc2nc(N)c(C#N)cc2C#N)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M09 compound treatment 0.254 0.00542 0.2 0.254 0.00423 0.19 0.2793 0.9998 1212803 TimTec1_005201 CCOc1ccc2c(cc(=O)oc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M10 compound treatment 0.263 0.0144 0.54 0.262 0.0122 0.56 0.7751 0.9998 3086455 TimTec1_005202 COc1ccc(cc1)c2cc(nc(=O)[nH]2)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M11 compound treatment 0.253 0.00442 0.16 0.253 0.00323 0.15 0.2207 0.9986 1222652 TimTec1_005203 CCc1cc2OCCOc2cc1C(=O)c3ccc(I)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M12 compound treatment 0.256 0.00742 0.28 0.255 0.00523 0.24 0.3643 0.9975 1107292 TimTec1_005204 CCC1SC2=NCCN2C1(O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M13 compound treatment 0.244 -0.00458 -0.17 0.252 0.00223 0.1 -0.0484 -0.2438 1431781 TimTec1_005205 CC1(C)CC2(CCCN(CCC(O)(c3ccccc3)c4ccccc4)C2)CCO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M14 compound treatment 0.299 0.0504 1.88 0.292 0.0422 1.93 2.6932 0.9999 1622469 TimTec1_005206 CCCCn1c(nn(c1=O)S(=O)(=O)c2ccc(Br)cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M15 compound treatment 0.275 0.0264 0.98 0.275 0.0252 1.16 1.5116 0.9968 1265308 TimTec1_005207 OC(=O)c1ccccc1C(=O)Nc2cccc3ncccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M16 compound treatment 0.254 0.00542 0.2 0.253 0.00323 0.15 0.247 0.9883 3086459 TimTec1_005208 CSC1=Nc2ccccc2CN1c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M17 compound treatment 0.261 0.0124 0.46 0.26 0.0102 0.47 0.6577 1.0 3086461 TimTec1_005209 O=C(Nc1nc[nH]n1)Nc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M18 compound treatment 0.245 -0.00358 -0.13 0.252 0.00223 0.1 -0.0221 -0.1318 1609905 TimTec1_005210 CCCC1CCC(CC1)c2ccc(cc2)C(=O)CCN(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M19 compound treatment 0.255 0.00642 0.24 0.257 0.00723 0.33 0.4028 0.9872 3212240 TimTec1_005211 Cc1ccc(cc1)C(=O)N/C(=C\c2ccco2)/C(=O)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M20 compound treatment 0.257 0.00842 0.31 0.259 0.00923 0.42 0.5201 0.9891 3085449 TimTec1_005212 CC[C@@]1(C)N[C@@H](CS1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M21 compound treatment 0.291 0.0424 1.58 0.279 0.0292 1.34 2.0619 0.9966 1601693 TimTec1_005213 O=C(NC(Nc1cccc2ccccc12)C(=O)c3ccccc3)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M22 compound treatment 0.257 0.00842 0.31 0.26 0.0102 0.47 0.5525 0.9809 1269343 TimTec1_005214 CC(CC(=O)c1ccccc1)CC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M23 mock treatment 0.255 0.00642 0.24 0.254 0.00423 0.19 0.3057 0.9946 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 M24 mock treatment 0.248 -5.81E-4 -0.02 0.252 0.00223 0.1 0.0568 0.5452 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N01 compound treatment 0.24 -0.00858 -0.32 0.239 -0.0108 -0.49 -0.5745 -0.9778 3085453 TimTec1_005215 Cc1cc(C)c(CC2C(=O)c3ccccc3C2=O)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N02 compound treatment 0.249 4.19E-4 0.02 0.248 -0.00177 -0.08 -0.0464 -0.5611 1524336 TimTec1_005216 O=C(NCCc1nc2ccccc2[nH]1)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N03 compound treatment 0.255 0.00642 0.24 0.255 0.00523 0.24 0.338 1.0 1139245 TimTec1_005217 O=C(Cc1ccccc1)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N04 compound treatment 0.246 -0.00258 -0.1 0.246 -0.00377 -0.17 -0.1901 -0.9615 1718136 TimTec1_005218 O=c1oc2ccccc2cc1c3nnc(o3)c4cccc5ccccc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N05 compound treatment 0.253 0.00442 0.16 0.253 0.00323 0.15 0.2207 0.9986 3085456 TimTec1_005219 CC1(C)CC(=O)C2C(=Nc3ccccc3N=C2c4ccccc4)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N06 compound treatment 0.25 0.00142 0.05 0.25 2.26E-4 0.01 0.0446 0.8298 1256766 TimTec1_005220 CC1N(c2cccc(C)c2)C3(CCCCC3)SC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N07 compound treatment 0.251 0.00242 0.09 0.25 2.26E-4 0.01 0.0709 0.7832 1496277 TimTec1_005221 NC(=O)C(C1CCS(=O)(=O)C1)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N08 compound treatment 0.248 -5.81E-4 -0.02 0.248 -0.00177 -0.08 -0.0727 -0.865 1400156 TimTec1_005222 NNC(=O)C1CCCN1S(=O)(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N09 compound treatment 0.252 0.00342 0.13 0.251 0.00123 0.06 0.1296 0.9324 1525056 TimTec1_005223 COc1ccc(cc1)C2C3C(=O)CCCC3(O)Oc4cc5OCOc5cc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N10 compound treatment 0.338 0.0894 3.33 0.329 0.0792 3.63 4.9169 0.9991 1231285 TimTec1_005224 CCN(CC)c1ccc2cc(c3ncc(o3)c4ccc(F)cc4)c(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N11 compound treatment 0.248 -5.81E-4 -0.02 0.247 -0.00277 -0.13 -0.1051 -0.8156 3212241 TimTec1_005225 COc1cc2CCN(C)[C@H](Cc3ccc(O)cc3)c2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N12 compound treatment 0.253 0.00442 0.16 0.256 0.00623 0.29 0.3178 0.9658 1135918 TimTec1_005226 Oc1ccccc1C2=Nc3ncnn3C(C2)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N13 compound treatment 0.285 0.0364 1.35 0.285 0.0352 1.61 2.0983 0.9962 3212242 TimTec1_005227 CCC[n+]1ccc(cc1)c2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N14 compound treatment 0.246 -0.00258 -0.1 0.246 -0.00377 -0.17 -0.1901 -0.9615 1154608 TimTec1_005228 CC(C)c1ccc(OC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N15 compound treatment 0.272 0.0234 0.87 0.263 0.0132 0.61 1.0442 0.9842 3212243 TimTec1_005229 CCOC(=O)/C(=C(/N)\c1cc2cc(Br)cc(Br)c2oc1=O)/C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N16 compound treatment 0.248 -5.81E-4 -0.02 0.246 -0.00377 -0.17 -0.1375 -0.7893 1059298 TimTec1_005230 Cc1cc2oc(=O)c3CCCCc3c2c(O)c1CN4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N17 compound treatment 0.259 0.0104 0.39 0.259 0.00923 0.42 0.5727 0.9991 1365174 TimTec1_005231 NC(=O)CNC(=O)c1cccc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N18 compound treatment 0.252 0.00342 0.13 0.245 -0.00477 -0.22 -0.0646 -0.2556 3085464 TimTec1_005232 CC(N1C(=O)CCC1=O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N19 compound treatment 0.26 0.0114 0.42 0.262 0.0122 0.56 0.6962 0.9907 3212244 TimTec1_005233 COC(=O)c1cc(Br)ccc1OC(=O)/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N20 compound treatment 0.256 0.00742 0.28 0.255 0.00523 0.24 0.3643 0.9975 3085466 TimTec1_005234 Oc1ccccc1/C=N/C2=NNC(=O)CS2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N21 compound treatment 0.256 0.00742 0.28 0.258 0.00823 0.38 0.4615 0.9883 3212245 TimTec1_005235 Cc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N22 compound treatment 0.246 -0.00258 -0.1 0.248 -0.00177 -0.08 -0.1253 -0.9966 1411087 TimTec1_005236 CCOC(=O)Cc1cc(=O)oc2cc(OCC)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N23 mock treatment 0.256 0.00742 0.28 0.256 0.00623 0.29 0.3967 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 N24 mock treatment 0.249 4.19E-4 0.02 0.251 0.00123 0.06 0.0507 0.8706 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O01 compound treatment 0.232 -0.0166 -0.62 0.242 -0.00777 -0.36 -0.6878 -0.9659 3212318 TimTec1_005237 C=CCOC(=O)OCn1c(=O)sc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O02 compound treatment 0.245 -0.00358 -0.13 0.238 -0.0118 -0.54 -0.4754 -0.8561 3212319 TimTec1_005238 CCCCN1N=C(C)CC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O03 compound treatment 0.33 0.0814 3.03 0.329 0.0792 3.63 4.7064 0.996 3212320 TimTec1_005239 O=C(Cn1c(=O)sc2ccccc12)OC(C(=O)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O04 compound treatment 0.254 0.00542 0.2 0.251 0.00123 0.06 0.1822 0.8709 1379879 TimTec1_005240 CN1CCN(Cc2ccc(NC(=O)C)cc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O05 compound treatment 0.249 4.19E-4 0.02 0.255 0.00523 0.24 0.1802 0.7516 1721138 TimTec1_005241 CC1CN(CC2COC(C)(C)O2)CC(C)O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O06 compound treatment 0.256 0.00742 0.28 0.252 0.00223 0.1 0.2672 0.9083 1672440 TimTec1_005242 NC(=O)C1CCN(CC2CCC=CC2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O07 compound treatment 0.247 -0.00158 -0.06 0.244 -0.00577 -0.26 -0.2285 -0.8437 1624424 TimTec1_005243 COc1cc2c3CCc4cn[nH]c4-c3ccc2c(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O08 compound treatment 0.257 0.00842 0.31 0.256 0.00623 0.29 0.423 0.9989 1736587 TimTec1_005244 Fc1ccc(cc1)C(=O)Oc2ccccc2c3cnc4ccccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O09 compound treatment 0.29 0.0414 1.54 0.286 0.0362 1.66 2.2622 0.9993 1502476 TimTec1_005245 CC(C)C(NC(=O)OCc1ccccc1)C(=O)Oc2ccc3c(=O)c(Oc4ccccc4)coc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O10 compound treatment 0.255 0.00642 0.24 0.254 0.00423 0.19 0.3057 0.9946 1214549 TimTec1_005246 COc1cc(ccc1O)C2CS(=O)(=O)CS(=O)(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O11 compound treatment 0.244 -0.00458 -0.17 0.251 0.00123 0.06 -0.0808 -0.4504 1679192 TimTec1_005247 O=C(c1cccs1)c2ccc3OCCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O12 compound treatment 0.246 -0.00258 -0.1 0.249 -7.74E-4 -0.04 -0.0929 -0.9083 3086118 TimTec1_005248 FC(F)(F)c1ccc2c(Cl)ccnc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O13 compound treatment 0.246 -0.00258 -0.1 0.25 2.26E-4 0.01 -0.0606 -0.6273 1449875 TimTec1_005249 CN(C)CCC(=O)c1ccc2OCCCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O14 compound treatment 0.296 0.0474 1.76 0.282 0.0322 1.48 2.2905 0.9961 3086120 TimTec1_005250 S=c1[nH]c(ccc1C#N)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O15 compound treatment 0.235 -0.0136 -0.51 0.236 -0.0138 -0.63 -0.8031 -0.9939 1687305 TimTec1_005251 O=C1N(C(=O)c2ccccc12)c3ccc4ncccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O16 compound treatment 0.25 0.00142 0.05 0.251 0.00123 0.06 0.077 0.9995 1675695 TimTec1_005252 CN1C2OC(=C(C#N)C(C2C(=O)N(C)C1=O)c3cccc(Br)c3)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O17 compound treatment 0.248 -5.81E-4 -0.02 0.253 0.00323 0.15 0.0892 0.5974 3086122 TimTec1_005253 O=C(/C=C/c1ccccc1)N2C(COC2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O18 compound treatment 0.247 -0.00158 -0.06 0.243 -0.00677 -0.31 -0.2609 -0.8264 3212321 TimTec1_005254 CCN(CC)[P+](NC(=O)c1ccccc1)(N(CC)CC)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O19 compound treatment 0.251 0.00242 0.09 0.243 -0.00677 -0.31 -0.1557 -0.4821 3212322 TimTec1_005255 O=C(NC1CCCCC1)/C(=C/C=C\c2ccccc2)/NC(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O20 compound treatment 0.273 0.0244 0.91 0.263 0.0132 0.61 1.0705 0.9806 3086125 TimTec1_005256 O[C@@H]1CO[C@@H](Nc2ccccc2)[C@H](O)[C@H]1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O21 compound treatment 0.254 0.00542 0.2 0.249 -7.74E-4 -0.04 0.1175 0.5739 1457665 TimTec1_005257 OP(=O)(c1nc2ccccc2n1CC=C)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O22 compound treatment 0.242 -0.00658 -0.24 0.249 -7.74E-4 -0.04 -0.1981 -0.8012 1597857 TimTec1_005258 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O23 mock treatment 0.25 0.00142 0.05 0.249 -7.74E-4 -0.04 0.0123 0.1929 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 O24 mock treatment 0.245 -0.00358 -0.13 0.243 -0.00677 -0.31 -0.3135 -0.9287 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P01 compound treatment 0.203 -0.0456 -1.7 0.223 -0.0268 -1.23 -2.0657 -0.9873 3212323 TimTec1_005259 C[n+]1cn(NC(=O)c2ccc(cc2)C(=O)ON3C(=O)CCC3=O)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P02 compound treatment 0.227 -0.0216 -0.8 0.244 -0.00577 -0.26 -0.7545 -0.8928 3212324 TimTec1_005260 OC(=O)C(Cc1ccccc1)NCc2c(O)ccc3c4CCCCc4c(=O)oc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P03 compound treatment 0.252 0.00342 0.13 0.247 -0.00277 -0.13 1.0E-4 6.0E-4 1665007 TimTec1_005261 COc1ccc(CCC(=O)c2ccc3OCCOc3c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P04 compound treatment 0.246 -0.00258 -0.1 0.243 -0.00677 -0.31 -0.2872 -0.8845 3212325 TimTec1_005262 Cc1nn(c2ccccc2)c3sc(cc13)C(=O)NN4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P05 compound treatment 0.252 0.00342 0.13 0.25 2.26E-4 0.01 0.0972 0.7621 3086129 TimTec1_005263 Oc1ccc(Cl)cc1/C=N/CCc2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P06 compound treatment 0.243 -0.00558 -0.21 0.244 -0.00577 -0.26 -0.3337 -0.9928 1176935 TimTec1_005264 CC(=O)Nc1cccc(NC(=O)N2CCOCC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P07 compound treatment 0.247 -0.00158 -0.06 0.249 -7.74E-4 -0.04 -0.0666 -0.9707 3086130 TimTec1_005265 CN(N)P(=O)(c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P08 compound treatment 0.244 -0.00458 -0.17 0.242 -0.00777 -0.36 -0.3722 -0.9431 3212326 TimTec1_005266 OC(=O)c1ccccc1C(=O)Nc2ccc(/C=C/c3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P09 compound treatment 0.252 0.00342 0.13 0.253 0.00323 0.15 0.1944 0.9972 1689960 TimTec1_005267 COc1ccc(cc1)C2C(C)C(C)(Oc3cc4OCOc4cc23)N5CCCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P10 compound treatment 0.31 0.0614 2.28 0.303 0.0532 2.44 3.3386 0.9995 3212327 TimTec1_005268 CC(C)c1ccc(cc1)C2C(=C(N)SC(=C2C#N)N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P11 compound treatment 0.246 -0.00258 -0.1 0.242 -0.00777 -0.36 -0.3196 -0.8668 1088185 TimTec1_005269 COc1cc2C=CN(C(C#N)c2cc1OC)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P12 compound treatment 0.259 0.0104 0.39 0.25 2.26E-4 0.01 0.2813 0.7257 1306739 TimTec1_005270 CC(C)CNc1ncnc2sc3CCCCc3c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P13 compound treatment 0.264 0.0154 0.57 0.257 0.00723 0.33 0.6395 0.9658 1251200 TimTec1_005271 O=C1CC(N2CCCc3ccccc23)C(=O)N1c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P14 compound treatment 0.241 -0.00758 -0.28 0.254 0.00423 0.19 -0.0626 -0.1829 1588848 TimTec1_005272 Cc1ccc(CNc2nc3n(C)c(=O)[nH]c(=O)c3n2Cc4ccccc4C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P15 compound treatment 0.284 0.0354 1.32 0.269 0.0192 0.88 1.554 0.9808 1071878 TimTec1_005273 COc1ccc(cc1)n2c(=O)c3ccccc3[nH]c2=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P16 compound treatment 0.265 0.0164 0.61 0.258 0.00823 0.38 0.6982 0.973 1718803 TimTec1_005274 Cc1cc(OC(=O)CNC(=O)OCc2ccccc2)cc3oc(=O)c4ccccc4c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P17 compound treatment 0.254 0.00542 0.2 0.254 0.00423 0.19 0.2793 0.9998 1656249 TimTec1_005275 CCC(Cc1cccc(O)c1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P18 compound treatment 0.251 0.00242 0.09 0.249 -7.74E-4 -0.04 0.0386 0.3987 1501431 TimTec1_005276 Brc1ccc(cc1)N2C(=O)CC(Nc3c[nH]c(=O)[nH]c3=O)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P19 compound treatment 0.248 -5.81E-4 -0.02 0.247 -0.00277 -0.13 -0.1051 -0.8156 3212328 TimTec1_005277 OC(=O)C(CC(=O)c1ccc(cc1)C2CCCCC2)NC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P20 compound treatment 0.289 0.0404 1.5 0.277 0.0272 1.25 1.9445 0.9957 3086198 TimTec1_005278 Oc1ccccc1/C=N/C2=NNC(=CS2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P21 compound treatment 0.246 -0.00258 -0.1 0.248 -0.00177 -0.08 -0.1253 -0.9966 3086200 TimTec1_005279 N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P22 compound treatment 0.303 0.0544 2.02 0.301 0.0512 2.35 3.0898 0.9973 1555180 TimTec1_005280 CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc2cc3oc(=O)c(Cl)c(C)c3cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P23 mock treatment 0.245 -0.00358 -0.13 0.242 -0.00777 -0.36 -0.3459 -0.9101 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2077 P24 mock treatment 0.213 -0.0356 -1.32 0.217 -0.0328 -1.5 -1.9969 -0.998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A01 compound treatment 0.194 -0.0507 -1.89 0.195 -0.0522 -2.39 -3.0227 -0.9932 1179025 TimTec1_005281 Cc1c(OCC(=O)O)ccc2c(cc(=O)oc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A02 compound treatment 0.216 -0.0287 -1.07 0.215 -0.0322 -1.47 -1.7966 -0.9876 3212329 TimTec1_005282 C(=N/c1nccs1)\c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A03 compound treatment 0.236 -0.00872 -0.32 0.232 -0.0152 -0.69 -0.7202 -0.9399 1341807 TimTec1_005283 CCc1cc2c(=O)c(c3nc4ccccc4s3)c(C)oc2c(CN(C)C)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A04 compound treatment 0.241 -0.00372 -0.14 0.225 -0.0222 -1.01 -0.8153 -0.7961 3086205 TimTec1_005284 Cc1cc(C)c(C#N)c(SCC(=O)c2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A05 compound treatment 0.243 -0.00172 -0.06 0.243 -0.00416 -0.19 -0.1799 -0.8953 1015158 TimTec1_005285 COC(=O)c1ccc(NN)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A06 compound treatment 0.238 -0.00672 -0.25 0.215 -0.0322 -1.47 -1.218 -0.8154 1579854 TimTec1_005286 Nc1nc(cs1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A07 compound treatment 0.244 -7.19E-4 -0.03 0.243 -0.00416 -0.19 -0.1536 -0.7985 3086207 TimTec1_005287 CC(C)c1cc(I)c(C)cc1OC(=O)NC(=O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A08 compound treatment 0.243 -0.00172 -0.06 0.236 -0.0112 -0.51 -0.4066 -0.7894 1603281 TimTec1_005288 O=C(NCc1ccccc1)C2CCCN2C(=O)OCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A09 compound treatment 0.282 0.0373 1.39 0.281 0.0338 1.55 2.0761 0.9985 1494738 TimTec1_005289 O=C(Cn1c(=S)[nH]c2ccccc12)c3ccc(cc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A10 compound treatment 0.255 0.0103 0.38 0.243 -0.00416 -0.19 0.1357 0.3176 1405927 TimTec1_005290 Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC2(OC3C=C2)C4C3C(=O)N(C4=O)c5ccc(Cl)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A11 compound treatment 0.263 0.0183 0.68 0.26 0.0128 0.59 0.8965 0.9974 1153776 TimTec1_005291 Cc1c(CCC(=O)NN)c(C)n2c3ccccc3nc2c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A12 compound treatment 0.234 -0.0107 -0.4 0.222 -0.0252 -1.15 -1.0965 -0.8995 3086211 TimTec1_005292 COc1cc(/C=N/Cc2ccco2)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A13 compound treatment 0.236 -0.00872 -0.32 0.238 -0.00916 -0.42 -0.5259 -0.9919 1733511 TimTec1_005293 CC1(C)CC(CCO1)C(=O)COc2ccc3ccc(=O)oc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A14 compound treatment 0.223 -0.0217 -0.81 0.234 -0.0132 -0.6 -0.9973 -0.9896 1139337 TimTec1_005294 C(Oc1ccccc1OCc2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A15 compound treatment 0.228 -0.0167 -0.62 0.219 -0.0282 -1.29 -1.3515 -0.9441 3212403 TimTec1_005295 O=C(NC(SC1=NCCS1)C(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A16 compound treatment 0.231 -0.0137 -0.51 0.24 -0.00716 -0.33 -0.5927 -0.9771 3086214 TimTec1_005296 CC(C)(CCN1CCOCC1)NC(=O)C=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A17 compound treatment 0.23 -0.0147 -0.55 0.244 -0.00316 -0.14 -0.4895 -0.8644 1301247 TimTec1_005297 COc1cc2c(C(=O)O)c(C)oc2cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A18 compound treatment 0.228 -0.0167 -0.62 0.235 -0.0122 -0.56 -0.8335 -0.9985 1734603 TimTec1_005298 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccoc3)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A19 compound treatment 0.287 0.0423 1.57 0.275 0.0278 1.27 2.0133 0.9946 3212404 TimTec1_005299 CN1CCc2[nH]c(=S)c(C#N)c(c3ccccc3)c2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A20 compound treatment 0.248 0.00328 0.12 0.233 -0.0142 -0.65 -0.3722 -0.5641 3086280 TimTec1_005300 COC(=O)/C=C\1/Nc2ccccc2SC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A21 compound treatment 0.248 0.00328 0.12 0.25 0.00284 0.13 0.1782 0.9995 3212405 TimTec1_005301 Cc1cccc(NCN2C(=O)S/C(=C\c3cccc(F)c3)/C2=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A22 compound treatment 0.249 0.00428 0.16 0.238 -0.00916 -0.42 -0.184 -0.4101 1421857 TimTec1_005302 COc1ccc(cc1OC)C(=O)Nc2nnc(o2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A23 mock treatment 0.217 -0.0277 -1.03 0.22 -0.0272 -1.24 -1.6084 -0.9957 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 A24 mock treatment 0.198 -0.0467 -1.74 0.188 -0.0592 -2.71 -3.1442 -0.977 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B01 compound treatment 0.263 0.0183 0.68 0.242 -0.00516 -0.24 0.3137 0.4358 3212406 TimTec1_005303 CC(C)P(C(C)C)c1ccc(C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B02 compound treatment 0.259 0.0143 0.53 0.253 0.00584 0.27 0.5646 0.9495 3212407 TimTec1_005304 CC(C)COc1ccc(/C=C\2/S\C(=N/c3ccccc3)\N(N(C)C)C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B03 compound treatment 0.251 0.00628 0.23 0.253 0.00584 0.27 0.3542 0.9977 1371685 TimTec1_005305 O=C(NCc1cccnc1)c2cc3ccccc3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B04 compound treatment 0.258 0.0133 0.49 0.259 0.0118 0.54 0.7326 0.9989 3086285 TimTec1_005306 COc1cc(OC)c(/C=N/c2ccccc2)cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B05 compound treatment 0.258 0.0133 0.49 0.263 0.0158 0.73 0.8621 0.9825 1138064 TimTec1_005307 OP(=O)(CCN1CCCC1=O)CN2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B06 compound treatment 0.316 0.0713 2.65 0.297 0.0498 2.28 3.4884 0.9972 1556230 TimTec1_005308 COc1ccc2CCC(C(=O)c2c1)C3(O)C(=O)Nc4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B07 compound treatment 0.262 0.0173 0.64 0.265 0.0178 0.82 1.0321 0.993 3086287 TimTec1_005309 CCC(NC(=O)Oc1ccc2ccccc2c1)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B08 compound treatment 0.262 0.0173 0.64 0.263 0.0158 0.73 0.9673 0.9982 1141795 TimTec1_005310 CCC(Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc4ccccc4C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B09 compound treatment 0.27 0.0253 0.94 0.271 0.0238 1.09 1.4367 0.9972 3086290 TimTec1_005311 Cc1ccc2cccc(SCc3ccc(Br)cc3)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B10 compound treatment 0.261 0.0163 0.61 0.258 0.0108 0.5 0.7791 0.9951 1716446 TimTec1_005312 Clc1cc(NC2CCCCC2)c3C(=O)c4ccccc4-c5onc1c53 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B11 compound treatment 0.257 0.0123 0.46 0.254 0.00684 0.31 0.5444 0.983 3212408 TimTec1_005313 COc1cc(ccc1O)c2nc3ccccn3c2/N=C/c4cccc(Cl)c4Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B12 compound treatment 0.259 0.0143 0.53 0.254 0.00684 0.31 0.597 0.9682 1140826 TimTec1_005314 OC1(CCN([C@@H]2CCCC[C@@H]21)C(=O)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B13 compound treatment 0.259 0.0143 0.53 0.267 0.0198 0.91 1.0179 0.9673 1456412 TimTec1_005315 CN(CP(=O)(O)CCc1ccccc1)C=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B14 compound treatment 0.252 0.00728 0.27 0.26 0.0128 0.59 0.6072 0.9381 1674110 TimTec1_005316 Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B15 compound treatment 0.256 0.0113 0.42 0.259 0.0118 0.54 0.68 0.992 3212409 TimTec1_005317 CCN(CC)S(=O)(=O)c1ncn[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B16 compound treatment 0.31 0.0653 2.43 0.312 0.0648 2.97 3.8162 0.995 3212410 TimTec1_005318 Oc1ccccc1/C=C\2/S\C(=N/c3ccccc3)\N(Cc4ccccc4)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B17 compound treatment 0.284 0.0393 1.46 0.28 0.0328 1.5 2.0963 0.9999 1238350 TimTec1_005319 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Oc2cccc(c2)c3cnc4ccccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B18 compound treatment 0.254 0.00928 0.35 0.259 0.0118 0.54 0.6274 0.9763 1373281 TimTec1_005320 OC(C#CC(O)(c1ccccc1)c2ccccc2)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B19 compound treatment 0.27 0.0253 0.94 0.258 0.0108 0.5 1.0158 0.9554 1306989 TimTec1_005321 COc1ccc2N(Cn3nc(c4ccccc4)n(c5ccccc5)c3=S)CCCc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B20 compound treatment 0.289 0.0443 1.65 0.289 0.0418 1.92 2.5192 0.9972 1546728 TimTec1_005322 O=C(c1ccccc1)c2nc3ccccc3[nH]c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B21 compound treatment 0.381 0.136 5.07 0.378 0.131 5.99 7.8204 0.9965 3086367 TimTec1_005323 COC(=O)C1=C(C)N(/C(=C/c2cccc3ccccc23)/C1=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B22 compound treatment 0.25 0.00528 0.2 0.253 0.00584 0.27 0.3279 0.9885 3086369 TimTec1_005324 O=C(/C=C/c1ccco1)C2CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B23 mock treatment 0.252 0.00728 0.27 0.255 0.00784 0.36 0.4453 0.9904 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 B24 mock treatment 0.229 -0.0157 -0.58 0.228 -0.0192 -0.88 -1.0338 -0.9805 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C01 compound treatment 0.232 -0.0127 -0.47 0.223 -0.0242 -1.11 -1.1168 -0.9282 1366978 TimTec1_005325 Cc1cc(=O)oc2cc(OC(=O)C3CCCN3C(=O)OC(C)(C)C)c(Cl)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C02 compound treatment 0.274 0.0293 1.09 0.269 0.0218 1.0 1.4772 0.9991 3086371 TimTec1_005326 NC1=C(C#N)C(c2ccccc2)c3ccc(N)cc3O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C03 compound treatment 0.519 0.274 10.2 0.574 0.327 14.96 17.7957 0.9826 1640630 TimTec1_005327 CCN(CC)Cc1c(O)ccc2cc(c3nc4ccccc4[nH]3)c(=O)oc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C04 compound treatment 0.244 -7.19E-4 -0.03 0.248 8.39E-4 0.04 0.0083 0.1763 1378375 TimTec1_005328 O=C(Oc1ccccc1OC(=O)C2C3CCCCC23)C4C5CCCCC45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C05 compound treatment 0.251 0.00628 0.23 0.254 0.00684 0.31 0.3866 0.9896 1495247 TimTec1_005329 Brc1ccc(OCC(=O)Nc2ccccc2N3C(=O)c4ccccc4C3=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C06 compound treatment 0.244 -7.19E-4 -0.03 0.245 -0.00216 -0.1 -0.0889 -0.8671 3212411 TimTec1_005330 C(=N/c1ccc2[nH]c(nc2c1)c3ccccc3)\c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C07 compound treatment 0.248 0.00328 0.12 0.247 -1.61E-4 -0.01 0.0811 0.6631 3212412 TimTec1_005331 CCOC(=O)NC1(N/C(=N/c2ccccc2)/N3CCOCC3)Oc4ccccc4O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C08 compound treatment 0.308 0.0633 2.35 0.318 0.0708 3.24 3.9579 0.9876 1281134 TimTec1_005332 COc1ccccc1NC(=O)C2CC2(c3ccc(C)cc3)c4ccc(C)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C09 compound treatment 0.254 0.00928 0.35 0.258 0.0108 0.5 0.595 0.9843 1467004 TimTec1_005333 Cc1cc(C)c(C(=O)Cn2c(=S)[nH]c3ccccc23)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C10 compound treatment 0.247 0.00228 0.08 0.247 -1.61E-4 -0.01 0.0548 0.6431 3086377 TimTec1_005334 COc1ccc(/C=N/CCN2Cc3ccccc3C2=O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C11 compound treatment 0.249 0.00428 0.16 0.249 0.00184 0.08 0.1721 0.9556 1653534 TimTec1_005335 CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C12 compound treatment 0.256 0.0113 0.42 0.256 0.00884 0.4 0.5829 0.9998 3086379 TimTec1_005336 Cc1cc(=O)oc2cc(OC(=O)/C=C/c3ccccc3)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C13 compound treatment 0.245 2.81E-4 0.01 0.245 -0.00216 -0.1 -0.0626 -0.6289 3212413 TimTec1_005337 CC(C)NC(=O)n1cc(F)c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C14 compound treatment 0.25 0.00528 0.2 0.25 0.00284 0.13 0.2308 0.9799 3086381 TimTec1_005338 CC(C)COc1ccccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C15 compound treatment 0.243 -0.00172 -0.06 0.241 -0.00616 -0.28 -0.2447 -0.8459 1498433 TimTec1_005339 O=C(NC(OCc1ccccc1)C(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C16 compound treatment 0.258 0.0133 0.49 0.256 0.00884 0.4 0.6355 0.9951 3212414 TimTec1_005340 CN(C(=O)C)c1ccc(/N=C\2/C(=O)Nc3ccc(C)c(Br)c23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C17 compound treatment 0.26 0.0153 0.57 0.259 0.0118 0.54 0.7852 0.9997 3086384 TimTec1_005341 C1Cc2c(C1)c3ccccc3n2c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C18 compound treatment 0.303 0.0583 2.17 0.304 0.0568 2.6 3.3731 0.9959 1222403 TimTec1_005342 Nc1c(sc2snc(SCC(=O)c3ccccc3)c12)C(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C19 compound treatment 0.244 -7.19E-4 -0.03 0.242 -0.00516 -0.24 -0.186 -0.7821 3086386 TimTec1_005343 CC(C)(C)NC(=O)CSc1nc(N)c(C#N)cc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C20 compound treatment 0.247 0.00228 0.08 0.246 -0.00116 -0.05 0.0224 0.2237 1290278 TimTec1_005344 COC(=O)C(CCCN1C(=O)c2ccccc2C1=O)(NC(=O)C)c3nn[nH]n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C21 compound treatment 0.242 -0.00272 -0.1 0.245 -0.00216 -0.1 -0.1415 -0.9999 3086388 TimTec1_005345 COc1ccc(cc1)c2nc3cc(/N=C/c4cccc(OC)c4O)ccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C22 compound treatment 0.251 0.00628 0.23 0.252 0.00484 0.22 0.3219 0.9996 3212415 TimTec1_005346 COc1ccc(O)c(/C=N/c2cc(ccc2Oc3ccccc3)C(F)(F)F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C23 mock treatment 0.241 -0.00372 -0.14 0.244 -0.00316 -0.14 -0.2002 -0.9997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 C24 mock treatment 0.219 -0.0257 -0.96 0.229 -0.0182 -0.83 -1.2644 -0.9976 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D01 compound treatment 0.245 2.81E-4 0.01 0.241 -0.00616 -0.28 -0.1921 -0.6804 1377147 TimTec1_005347 CCC1=NN(C(=O)c2ccccc2F)C(O)(C1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D02 compound treatment 0.252 0.00728 0.27 0.253 0.00584 0.27 0.3805 1.0 1581632 TimTec1_005348 OC(=O)CCC(=O)N(Cc1ccco1)C2CC(=O)N(C2=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D03 compound treatment 0.258 0.0133 0.49 0.255 0.00784 0.36 0.6031 0.9877 1159067 TimTec1_005349 CC12C3CC(C=C3)C2C(=O)N(C1=O)c4cccc(c4)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D04 compound treatment 0.279 0.0343 1.28 0.299 0.0518 2.37 2.58 0.9575 3086466 TimTec1_005350 OCCn/1c(cs\c1=N/c2ccccc2)c3ccc(cc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D05 compound treatment 0.256 0.0113 0.42 0.268 0.0208 0.95 0.9714 0.9319 1557266 TimTec1_005351 Clc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D06 compound treatment 0.273 0.0283 1.05 0.272 0.0248 1.14 1.548 0.9992 3212725 TimTec1_005352 OC(=O)c1ccc(cc1)N2C(=O)CC(SC(=N)N3N=C(CC3c4ccccc4)c5ccccc5)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D07 compound treatment 0.256 0.0113 0.42 0.26 0.0128 0.59 0.7124 0.9863 3086469 TimTec1_005353 O=C(CSc1ncn[nH]1)OCN2C(=O)c3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D08 compound treatment 0.353 0.108 4.03 0.373 0.126 5.76 6.9221 0.9847 3086470 TimTec1_005354 CCN(CC)c1ccc(/C=C\2/S/C(=N\c3cccc(C)c3)/NC2=O)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D09 compound treatment 0.248 0.00328 0.12 0.251 0.00384 0.18 0.2106 0.9841 1301370 TimTec1_005355 Cc1cc(C)cc(c1)N2C(Nc3ccccc3C2=O)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D10 compound treatment 0.28 0.0353 1.31 0.282 0.0348 1.6 2.0559 0.9953 3086472 TimTec1_005356 N/C(=C\C(=O)c1c(O)c(F)c(F)c(F)c1F)/C(=O)[O-] 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D11 compound treatment 0.255 0.0103 0.38 0.283 0.0358 1.64 1.4307 0.8491 1471806 TimTec1_005357 Fc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D12 compound treatment 0.25 0.00528 0.2 0.257 0.00984 0.45 0.4574 0.9308 3212726 TimTec1_005358 CCCC1=C(C(C(=C(N)O1)C#N)c2ccccc2OC)C(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D13 compound treatment 0.292 0.0473 1.76 0.319 0.0718 3.29 3.5694 0.957 3086475 TimTec1_005359 Fc1ccc(/C=C/2\CN(Cc3ccccc3)C/C(=C/c4ccc(F)cc4)/C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D14 compound treatment 0.263 0.0183 0.68 0.259 0.0118 0.54 0.8641 0.9937 3212727 TimTec1_005360 CN1C(=O)/C(=C\C=C\c2ccccc2Cl)/SC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D15 compound treatment 0.296 0.0513 1.91 0.291 0.0438 2.01 2.7681 0.9997 1327468 TimTec1_005361 NC1=C(C#N)C(C2=C(CCCC2=O)N1c3sc4CCCCCc4c3C#N)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D16 compound treatment 0.256 0.0113 0.42 0.254 0.00684 0.31 0.5181 0.9896 1533582 TimTec1_005362 CCCn1c2ccccc2c3nnc(SCN4C(=O)c5ccccc5C4=O)nc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D17 compound treatment 0.266 0.0213 0.79 0.265 0.0178 0.82 1.1373 0.9999 1465950 TimTec1_005363 CCC(Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc4ccc(cc4)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D18 compound treatment 0.268 0.0233 0.87 0.266 0.0188 0.86 1.2222 1.0 1384915 TimTec1_005364 Clc1cccc(NC(=O)COC(=O)c2ccc(cc2)N3C(=O)CCC3=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D19 compound treatment 0.251 0.00628 0.23 0.251 0.00384 0.18 0.2895 0.9902 1450022 TimTec1_005365 COc1ccc2N(Cn3nc(COc4ccccc4)n(C)c3=S)CCCc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D20 compound treatment 0.251 0.00628 0.23 0.254 0.00684 0.31 0.3866 0.9896 1291038 TimTec1_005366 CCC(O)C#CCN1CCN(C)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D21 compound treatment 0.251 0.00628 0.23 0.249 0.00184 0.08 0.2247 0.905 1912707 TimTec1_005367 CC(C)(O)C(=O)/C=C/c1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D22 compound treatment 0.246 0.00128 0.05 0.247 -1.61E-4 -0.01 0.0285 0.5905 1025952 TimTec1_005368 Cc1cc(Cc2ccc(N)c(C)c2)ccc1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D23 mock treatment 0.247 0.00228 0.08 0.249 0.00184 0.08 0.1195 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 D24 mock treatment 0.246 0.00128 0.05 0.24 -0.00716 -0.33 -0.1982 -0.5981 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E01 compound treatment 0.249 0.00428 0.16 0.244 -0.00316 -0.14 0.0102 0.0476 2102259 TimTec1_005369 CC(C)CC(NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E02 compound treatment 0.255 0.0103 0.38 0.255 0.00784 0.36 0.5242 0.9995 3086481 TimTec1_005370 O=C1NC(=O)/C(=C\c2ccccc2)/N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E03 compound treatment 0.246 0.00128 0.05 0.248 8.39E-4 0.04 0.0609 0.9943 1012035 TimTec1_005371 CN1CCC(O)(C(C1)C(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E04 compound treatment 0.269 0.0243 0.9 0.268 0.0208 0.95 1.3133 0.9996 3212728 TimTec1_005372 CCc1ccc(cc1)C2C(=C(N)OC3=C2C(=O)CCC3)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E05 compound treatment 0.251 0.00628 0.23 0.25 0.00284 0.13 0.2571 0.9617 1629849 TimTec1_005373 CC(C)CN(CC(C)C)C(=O)CCN1C(=O)c2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E06 compound treatment 0.277 0.0323 1.2 0.298 0.0508 2.33 2.495 0.9526 3212729 TimTec1_005374 CSc1nc2sc3COC(C)(C)Cc3c2c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E07 compound treatment 0.268 0.0233 0.87 0.275 0.0278 1.27 1.5136 0.9823 3212730 TimTec1_005375 CC(C)c1ccc(C)cc1OC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E08 compound treatment 0.263 0.0183 0.68 0.269 0.0218 1.0 1.1879 0.9823 1308284 TimTec1_005376 Cc1ccc(cc1)N2CC(=O)SC32CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E09 compound treatment 0.296 0.0513 1.91 0.302 0.0548 2.51 3.1242 0.9908 3085473 TimTec1_005377 COc1ccc(cc1)C2=CN3C(=O)CSC3=NN2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E10 compound treatment 0.257 0.0123 0.46 0.254 0.00684 0.31 0.5444 0.983 1639246 TimTec1_005378 CCOC(=O)c1c(CN2CCOCC2)oc3ccc(OC)cc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E11 compound treatment 0.256 0.0113 0.42 0.248 8.39E-4 0.04 0.3239 0.7686 3085475 TimTec1_005379 CC(=C)Cn1c(S)nc2ccccc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E12 compound treatment 0.919 0.674 25.08 0.909 0.662 30.3 39.1621 0.9956 3212731 TimTec1_005380 Cc1ccc(/C=C/2\OC(=O)C=C2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E13 compound treatment 0.27 0.0253 0.94 0.283 0.0358 1.64 1.8252 0.9651 1303286 TimTec1_005381 CCc1cc2c(=O)c(coc2cc1O)c3nc(C)cs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E14 compound treatment 0.272 0.0273 1.01 0.286 0.0388 1.78 1.975 0.9646 3085477 TimTec1_005382 O=C(CSc1nc(ccc1C#N)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E15 compound treatment 0.256 0.0113 0.42 0.255 0.00784 0.36 0.5505 0.997 3212732 TimTec1_005383 COc1ccccc1N2CCN(CC2)/N=C/c3sccc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E16 compound treatment 0.259 0.0143 0.53 0.255 0.00784 0.36 0.6294 0.9818 1527733 TimTec1_005384 Nc1nonc1C(=O)NCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E17 compound treatment 0.265 0.0203 0.75 0.262 0.0148 0.68 1.0138 0.9986 3212733 TimTec1_005385 O=C1N([C@H]2CC(=O)[C@@H]3OCC2O3)S(=O)(=O)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E18 compound treatment 0.263 0.0183 0.68 0.261 0.0138 0.63 0.9289 0.9994 1204206 TimTec1_005386 CC(C)(C)NC(=O)CSc1nsc(SCC(=O)NC(C)(C)C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E19 compound treatment 0.374 0.129 4.81 0.356 0.109 4.98 6.924 0.9998 3212734 TimTec1_005387 NC1=C(C#N)C(C(=c2s/c(=C\c3ccco3)/c(=O)n12)C#N)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E20 compound treatment 0.259 0.0143 0.53 0.259 0.0118 0.54 0.7589 0.9999 1594563 TimTec1_005388 OC(=O)CCC(=O)Nc1ccccc1C#Cc2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E21 compound treatment 0.255 0.0103 0.38 0.254 0.00684 0.31 0.4918 0.9951 3212735 TimTec1_005389 COc1cccc(/C=N/c2ccc(cc2)c3nc4ccc(C)cc4o3)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E22 compound treatment 0.301 0.0563 2.09 0.271 0.0238 1.09 2.2521 0.9539 3085483 TimTec1_005390 C/C=C/c1c(C)nc2sc(C#N)c(N)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E23 mock treatment 0.255 0.0103 0.38 0.251 0.00384 0.18 0.3947 0.9378 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 E24 mock treatment 0.245 2.81E-4 0.01 0.247 -1.61E-4 -0.01 0.0022 0.1699 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F01 compound treatment 0.248 0.00328 0.12 0.245 -0.00216 -0.1 0.0163 0.1039 1199396 TimTec1_005391 O=C(NCc1cccs1)c2cccc(c2)S(=O)(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F02 compound treatment 0.294 0.0493 1.83 0.306 0.0588 2.69 3.2011 0.9824 1438185 TimTec1_005392 N#Cc1ccc(cc1C#N)n2c(nnc2c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F03 compound treatment 0.274 0.0293 1.09 0.277 0.0298 1.37 1.7362 0.9937 1602974 TimTec1_005393 Cc1cc(C)c2oc(nc2c1)c3ccc(N)cc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F04 compound treatment 0.274 0.0293 1.09 0.28 0.0328 1.5 1.8333 0.9875 1565318 TimTec1_005394 COC(=O)C(C(Nc1ccccc1)c2ccccc2)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F05 compound treatment 0.29 0.0453 1.68 0.299 0.0518 2.37 2.8693 0.9859 3085487 TimTec1_005395 COC(=O)CSc1nc(C)nc2c3ccccc3oc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F06 compound treatment 0.265 0.0203 0.75 0.264 0.0168 0.77 1.0786 0.9999 3212736 TimTec1_005396 CN(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F07 compound treatment 0.262 0.0173 0.64 0.266 0.0188 0.86 1.0644 0.9895 3085489 TimTec1_005397 CN(C)C(=O)/C(=C/c1ccc(F)cc1)/NC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F08 compound treatment 0.295 0.0503 1.87 0.298 0.0508 2.33 2.9684 0.9941 3212737 TimTec1_005398 N#Cc1c(NCSCc2ccccc2)sc3CCCCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F09 compound treatment 0.269 0.0243 0.9 0.257 0.00984 0.45 0.9572 0.9484 1212031 TimTec1_005399 CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(c1)C(=O)Nc2ccc(Oc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F10 compound treatment 0.254 0.00928 0.35 0.256 0.00884 0.4 0.5303 0.9969 1476455 TimTec1_005400 CC(CS(=O)(=O)c1ccccc1)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F11 compound treatment 0.277 0.0323 1.2 0.274 0.0268 1.23 1.718 0.9999 1295263 TimTec1_005401 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3nc4ccccc4o3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F12 compound treatment 0.275 0.0303 1.13 0.28 0.0328 1.5 1.8596 0.9899 1158028 TimTec1_005402 C(Sc1nnc2c3ccccc3n(Cc4ccccc4)c2n1)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F13 compound treatment 0.266 0.0213 0.79 0.27 0.0228 1.05 1.2991 0.9906 3086060 TimTec1_005403 CCC(NC(=O)OC1CCCCC1C)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F14 compound treatment 0.339 0.0943 3.51 0.355 0.108 4.94 5.9711 0.9859 3212738 TimTec1_005404 CN1C(=O)S/C(=C/c2cc(C)n(c2C)c3ccccc3)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F15 compound treatment 0.287 0.0423 1.57 0.282 0.0348 1.6 2.24 1.0 1322720 TimTec1_005405 CCOC(=O)c1c(CSc2ccccc2)oc3ccc(O)c(CN(C)C)c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F16 compound treatment 0.314 0.0693 2.58 0.312 0.0648 2.97 3.9214 0.9975 1183235 TimTec1_005406 Cc1ccc2nc(NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F17 compound treatment 0.27 0.0253 0.94 0.265 0.0178 0.82 1.2425 0.9975 1662436 TimTec1_005407 Nc1nonc1n2nnc(C(=O)N3CCCC3)c2c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F18 compound treatment 0.268 0.0233 0.87 0.26 0.0128 0.59 1.028 0.9822 1606341 TimTec1_005408 COC(=O)C1=C(c2ccccc2)S(=O)(=O)CCN1C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F19 compound treatment 0.267 0.0223 0.83 0.267 0.0198 0.91 1.2283 0.999 1282067 TimTec1_005409 COC(=O)c1ccc(NC(=O)CSc2nnc(N)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F20 compound treatment 0.256 0.0113 0.42 0.254 0.00684 0.31 0.5181 0.9896 3086064 TimTec1_005410 CSC1=NC(C)(C)Cc2c(C)cccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F21 compound treatment 0.258 0.0133 0.49 0.26 0.0128 0.59 0.765 0.9963 1037267 TimTec1_005411 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F22 compound treatment 0.301 0.0563 2.09 0.308 0.0608 2.79 3.45 0.9901 1160915 TimTec1_005412 Cc1cccc(c1C)n2c(CSc3nc4ccccc4[nH]3)nc5ccccc5c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F23 mock treatment 0.253 0.00828 0.31 0.257 0.00984 0.45 0.5363 0.9828 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 F24 mock treatment 0.255 0.0103 0.38 0.251 0.00384 0.18 0.3947 0.9378 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G01 compound treatment 0.243 -0.00172 -0.06 0.239 -0.00816 -0.37 -0.3094 -0.8162 3086066 TimTec1_005413 CCC(C)C(NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G02 compound treatment 0.254 0.00928 0.35 0.256 0.00884 0.4 0.5303 0.9969 3212809 TimTec1_005414 COC(=O)n1c(SC)nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G03 compound treatment 0.252 0.00728 0.27 0.248 8.39E-4 0.04 0.2187 0.7994 1428822 TimTec1_005415 CC(C)c1ccccc1NC(=O)CN2C(=O)c3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G04 compound treatment 0.272 0.0273 1.01 0.299 0.0518 2.37 2.3959 0.9281 1673731 TimTec1_005416 C=CCN(CC=C)C(=S)Oc1ccc(cc1)C(=O)Nc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G05 compound treatment 0.259 0.0143 0.53 0.251 0.00384 0.18 0.4999 0.8934 3212810 TimTec1_005417 NNC(=O)c1cc(nn1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G06 compound treatment 0.256 0.0113 0.42 0.253 0.00584 0.27 0.4857 0.9763 3086070 TimTec1_005418 COC(=O)Nc1ccc(Br)cn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G07 compound treatment 0.255 0.0103 0.38 0.258 0.0108 0.5 0.6213 0.9917 3212811 TimTec1_005419 CN/1N(C(=NC(=O)\C1=C/c2ccc(O)cc2)C)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G08 compound treatment 0.265 0.0203 0.75 0.272 0.0248 1.14 1.3376 0.9801 1496851 TimTec1_005420 CCSc1nc2-c3ccccc3CC4(CCCCC4)c2c(=O)n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G09 compound treatment 0.272 0.0273 1.01 0.277 0.0298 1.37 1.6836 0.9893 3212812 TimTec1_005421 CC1SC2=NNC(=CN2C1=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G10 compound treatment 0.293 0.0483 1.8 0.303 0.0558 2.56 3.0777 0.9851 1578108 TimTec1_005422 CC(=O)Oc1ccc(cc1)c2nc3ccccc3c(=O)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G11 compound treatment 0.291 0.0463 1.72 0.293 0.0458 2.1 2.7013 0.9952 1637150 TimTec1_005423 Cc1ccc(cc1)S(=O)(=O)NCCC(=O)Oc2cc3oc(=O)c4CCCCc4c3cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G12 compound treatment 0.314 0.0693 2.58 0.312 0.0648 2.97 3.9214 0.9975 1014256 TimTec1_005424 c1c([nH]c2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G13 compound treatment 0.252 0.00728 0.27 0.256 0.00884 0.4 0.4777 0.9809 1442327 TimTec1_005425 CCc1cc(C(=O)Cc2nc(C)cs2)c(O)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G14 compound treatment 0.257 0.0123 0.46 0.259 0.0118 0.54 0.7063 0.9964 3212813 TimTec1_005426 CCOc1cc(/C=N/CCN2Cc3ccccc3C2=O)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G15 compound treatment 0.255 0.0103 0.38 0.25 0.00284 0.13 0.3623 0.897 3086140 TimTec1_005427 COc1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G16 compound treatment 0.299 0.0543 2.02 0.301 0.0538 2.47 3.1707 0.9951 3212814 TimTec1_005428 Clc1ccc(NC(=O)CSC(=O)c2ccccc2)nc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G17 compound treatment 0.261 0.0163 0.61 0.263 0.0158 0.73 0.941 0.996 3086142 TimTec1_005429 Oc1n[n+](no1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G18 compound treatment 0.305 0.0603 2.24 0.296 0.0488 2.24 3.1667 1.0 3212815 TimTec1_005430 COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G19 compound treatment 0.306 0.0613 2.28 0.322 0.0748 3.43 4.0348 0.9804 1400147 TimTec1_005431 Cc1ccccc1OCC(=O)Nc2cc(Sc3ccccn3)cc(c2)S(=O)(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G20 compound treatment 0.269 0.0243 0.9 0.265 0.0178 0.82 1.2162 0.9987 3086144 TimTec1_005432 C(=N/c1nnc2[nH]cnn12)\c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G21 compound treatment 0.246 0.00128 0.05 0.249 0.00184 0.08 0.0932 0.9637 1704603 TimTec1_005433 CCN(CC)C(=O)N1CCc2ccccc2C1CN3C(=O)c4ccccc4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G22 compound treatment 0.263 0.0183 0.68 0.262 0.0148 0.68 0.9612 1.0 3212816 TimTec1_005434 CCc1c(C)[nH]c(=S)c(C#N)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G23 mock treatment 0.255 0.0103 0.38 0.252 0.00484 0.22 0.4271 0.9663 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 G24 mock treatment 0.243 -0.00172 -0.06 0.251 0.00384 0.18 0.0791 0.4228 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H01 compound treatment 0.278 0.0333 1.24 0.268 0.0208 0.95 1.55 0.9917 1451425 TimTec1_005435 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc2nncs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H02 compound treatment 0.285 0.0403 1.5 0.293 0.0458 2.1 2.5435 0.9863 3086147 TimTec1_005436 COc1cc(/C=C\2/S\C(=N/c3ccccc3)\N(N(C)C)C2=O)cc(Br)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H03 compound treatment 0.252 0.00728 0.27 0.254 0.00684 0.31 0.4129 0.9974 3212817 TimTec1_005437 Cc1cc-2c(cn1)/C(=N\c3ccccc3C)/c4ccccc42 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H04 compound treatment 0.269 0.0243 0.9 0.27 0.0228 1.05 1.3781 0.9973 3086149 TimTec1_005438 Clc1ss/c(=N\c2ccccn2)/c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H05 compound treatment 0.25 0.00528 0.2 0.254 0.00684 0.31 0.3603 0.9748 1471924 TimTec1_005439 COC(=O)c1ccc2c(c1)sc3nc(cn32)c4ccc(OC)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H06 compound treatment 0.253 0.00828 0.31 0.258 0.0108 0.5 0.5687 0.9737 3212818 TimTec1_005440 Cc1ccc(/N=C/c2ccc3OCOc3c2)c(Br)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H07 compound treatment 0.254 0.00928 0.35 0.253 0.00584 0.27 0.4331 0.992 1713930 TimTec1_005441 CC(C)C(O)(C#CCN1CCCCC1)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H08 compound treatment 0.269 0.0243 0.9 0.267 0.0198 0.91 1.2809 1.0 3212819 TimTec1_005442 CC(=O)NC1=NC(=O)/C(=C\c2ccc(Cl)cc2)/S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H09 compound treatment 0.255 0.0103 0.38 0.259 0.0118 0.54 0.6537 0.9854 1216409 TimTec1_005443 Nc1nnc(SCC(=O)NCc2ccco2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H10 compound treatment 0.284 0.0393 1.46 0.266 0.0188 0.86 1.6431 0.9684 3212820 TimTec1_005444 Cc1nc(Sc2ccccc2)c3oc4ccccc4c3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H11 compound treatment 0.255 0.0103 0.38 0.257 0.00984 0.45 0.5889 0.9967 1240888 TimTec1_005445 O=C1CSC2(CCCCC2)N1Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H12 compound treatment 0.258 0.0133 0.49 0.253 0.00584 0.27 0.5383 0.9584 3212821 TimTec1_005446 Clc1ccc(NC(=O)CSC2=NCCS2)nc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H13 compound treatment 0.259 0.0143 0.53 0.257 0.00984 0.45 0.6942 0.9966 3212822 TimTec1_005447 COC(=O)C1=C(N)N(C2=C(C1c3ccccc3)C(=O)CCC2)c4cccc(c4)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H14 compound treatment 0.278 0.0333 1.24 0.273 0.0258 1.18 1.7119 0.9997 1666111 TimTec1_005448 Oc1ccccc1N=c2c(=O)c3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H15 compound treatment 0.259 0.0143 0.53 0.257 0.00984 0.45 0.6942 0.9966 3086218 TimTec1_005449 O=C(NC1CC1)/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H16 compound treatment 0.259 0.0143 0.53 0.252 0.00484 0.22 0.5323 0.9248 1687122 TimTec1_005450 COc1ccc(cc1)C2CC3(OCCO3)C4(CCCCC4)O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H17 compound treatment 0.287 0.0423 1.57 0.287 0.0398 1.82 2.4019 0.9973 3212823 TimTec1_005451 Clc1cccc(/C=C\2/SC(=NC2=O)N3CCCC3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H18 compound treatment 0.284 0.0393 1.46 0.29 0.0428 1.96 2.4201 0.9895 1549014 TimTec1_005452 O=C(CSc1nnc2c3ccccc3[nH]c2n1)NCc4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H19 compound treatment 0.277 0.0323 1.2 0.276 0.0288 1.32 1.7827 0.9989 1530955 TimTec1_005453 COC(=O)C1=C(N)N(C2=C(C1c3ccccc3)C(=O)CC(C)(C)C2)c4ccc(F)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H20 compound treatment 0.252 0.00728 0.27 0.256 0.00884 0.4 0.4777 0.9809 1138726 TimTec1_005454 CCOC(=O)c1ccccc1NCn2c(=S)oc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H21 compound treatment 0.257 0.0123 0.46 0.254 0.00684 0.31 0.5444 0.983 1258567 TimTec1_005455 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3cccc(c3)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H22 compound treatment 0.254 0.00928 0.35 0.252 0.00484 0.22 0.4008 0.977 1345011 TimTec1_005456 OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)S(=O)(=O)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H23 mock treatment 0.25 0.00528 0.2 0.257 0.00984 0.45 0.4574 0.9308 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 H24 mock treatment 0.243 -0.00172 -0.06 0.253 0.00584 0.27 0.1438 0.5233 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I01 compound treatment 0.266 0.0213 0.79 0.261 0.0138 0.63 1.0078 0.9939 1452955 TimTec1_005457 CCOC(=O)c1c(oc2ccc(OCC)cc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I02 compound treatment 0.285 0.0403 1.5 0.278 0.0308 1.41 2.0579 0.9996 1419694 TimTec1_005458 CCCc1ccc2c(N)c(sc2n1)C(=O)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I03 compound treatment 0.255 0.0103 0.38 0.253 0.00584 0.27 0.4594 0.9847 1348330 TimTec1_005459 CCc1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I04 compound treatment 0.258 0.0133 0.49 0.255 0.00784 0.36 0.6031 0.9877 1011570 TimTec1_005460 COc1ccc2oc(=O)cc(C)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I05 compound treatment 0.267 0.0223 0.83 0.262 0.0148 0.68 1.0664 0.9951 1591902 TimTec1_005461 NNC(=O)Cc1nc2ccccc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I06 compound treatment 0.263 0.0183 0.68 0.257 0.00984 0.45 0.7994 0.98 3086226 TimTec1_005462 CCCC(=O)n1c(=S)oc2cc(Cl)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I07 compound treatment 0.258 0.0133 0.49 0.254 0.00684 0.31 0.5707 0.9758 3212824 TimTec1_005463 Cc1ccc(cc1)C(=O)/N=c\2/n(C)n(c(C)nc2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I08 compound treatment 0.26 0.0153 0.57 0.261 0.0138 0.63 0.85 0.9985 1332287 TimTec1_005464 NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I09 compound treatment 0.279 0.0343 1.28 0.279 0.0318 1.46 1.9324 0.9978 1228160 TimTec1_005465 O=C(SCc1nc2ccccc2[nH]1)c3ccc(cc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I10 compound treatment 0.274 0.0293 1.09 0.262 0.0148 0.68 1.2505 0.9742 3212825 TimTec1_005466 Cc1ccc2cc3/C(=N\C4CCCCC4)/c5ccccc5-c3nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I11 compound treatment 0.266 0.0213 0.79 0.256 0.00884 0.4 0.8459 0.9515 3086229 TimTec1_005467 Cc1ccc2nc(NCc3ccccc3)c(/C=N/c4ccc(Cl)cc4)c(=O)n2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I12 compound treatment 0.279 0.0343 1.28 0.274 0.0268 1.23 1.7706 0.9998 3212826 TimTec1_005468 COc1ccc(/N=C\2/c3ccccc3-c4nc5ccccc5nc24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I13 compound treatment 0.201 -0.0437 -1.63 0.198 -0.0492 -2.25 -2.7415 -0.9873 1582817 TimTec1_005469 CN(C)Cc1c(C)cc2oc(=O)c3CCCCc3c2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I14 compound treatment 0.334 0.0893 3.32 0.326 0.0788 3.61 4.9007 0.9991 3086232 TimTec1_005470 CCc1ccc(cc1)c2nn(c3ccccc3)c(=S)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I15 compound treatment 0.27 0.0253 0.94 0.271 0.0238 1.09 1.4367 0.9972 3212903 TimTec1_005471 CN(C)c1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I16 compound treatment 0.261 0.0163 0.61 0.255 0.00784 0.36 0.682 0.9688 1444311 TimTec1_005472 COC(=O)c1ccc(OC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I17 compound treatment 0.315 0.0703 2.61 0.333 0.0858 3.93 4.6276 0.9804 3212904 TimTec1_005473 CSc1c(CC(=O)Nc2ccccc2)n(Cc3ccccc3)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I18 compound treatment 0.272 0.0273 1.01 0.272 0.0248 1.14 1.5217 0.9984 3086235 TimTec1_005474 Fc1ccc(/C=N/c2nnc3[nH]cnn23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I19 compound treatment 0.271 0.0263 0.98 0.263 0.0158 0.73 1.204 0.9892 3212905 TimTec1_005475 CC(C)(C)c1ccc(cc1)c2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I20 compound treatment 0.255 0.0103 0.38 0.262 0.0148 0.68 0.7508 0.963 3086300 TimTec1_005476 CCC1(C)OC(=O)N(C1=C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I21 compound treatment 0.259 0.0143 0.53 0.263 0.0158 0.73 0.8884 0.9883 3086302 TimTec1_005477 COCc1cc(C)nc2snc(Br)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I22 compound treatment 0.294 0.0493 1.83 0.281 0.0338 1.55 2.3917 0.9965 3212906 TimTec1_005478 Cc1cc(C)c2c(N)c(sc2n1)C(=O)OC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I23 mock treatment 0.257 0.0123 0.46 0.258 0.0108 0.5 0.6739 0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 I24 mock treatment 0.252 0.00728 0.27 0.259 0.0118 0.54 0.5748 0.9486 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J01 compound treatment 0.246 0.00128 0.05 0.242 -0.00516 -0.24 -0.1334 -0.5534 1654696 TimTec1_005479 CC(C)C1N(CCN1S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J02 compound treatment 0.265 0.0203 0.75 0.247 -1.61E-4 -0.01 0.5282 0.7002 3086304 TimTec1_005480 FC(F)(F)COc1nc(nc(n1)N2CCN(CC2)c3ccccc3)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J03 compound treatment 0.263 0.0183 0.68 0.261 0.0138 0.63 0.9289 0.9994 1724083 TimTec1_005481 NC1=C(C#N)C(C2=C(CCCC2=O)N1c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J04 compound treatment 0.254 0.00928 0.35 0.258 0.0108 0.5 0.595 0.9843 3086306 TimTec1_005482 CCCCc1c(C)c2ccc(OCC=C)cc2oc1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J05 compound treatment 0.366 0.121 4.51 0.364 0.117 5.35 6.9726 0.9964 3212907 TimTec1_005483 COC(=O)CSC1=NC(=O)/C(=C/c2ccc(OC)cc2)/S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J06 compound treatment 0.287 0.0423 1.57 0.299 0.0518 2.37 2.7904 0.98 3086308 TimTec1_005484 Brc1cc2OCOc2cc1/C=N/c3c(nc4ccccn34)c5ccco5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J07 compound treatment 0.254 0.00928 0.35 0.254 0.00684 0.31 0.4655 0.9988 3212908 TimTec1_005485 Clc1ccc(Oc2ccc(/N=C/c3ccc(I)o3)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J08 compound treatment 0.272 0.0273 1.01 0.274 0.0268 1.23 1.5865 0.9955 3212909 TimTec1_005486 CC(=O)NC1=NC(=O)/C(=C\c2ccc(C)cc2)/S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J09 compound treatment 0.263 0.0183 0.68 0.265 0.0178 0.82 1.0584 0.9958 3086311 TimTec1_005487 CCn1c2ccccc2c3cc(/C=N/c4ccc(Cl)cc4)ccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J10 compound treatment 0.326 0.0813 3.02 0.293 0.0458 2.1 3.6219 0.9841 1618704 TimTec1_005488 Cc1cc(=O)oc2c(C)c(O)c(CC=C)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J11 compound treatment 0.258 0.0133 0.49 0.256 0.00884 0.4 0.6355 0.9951 1654232 TimTec1_005489 CN(CP(=O)(O)CN1CCOCC1)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J12 compound treatment 0.258 0.0133 0.49 0.251 0.00384 0.18 0.4736 0.9032 3212910 TimTec1_005490 Clc1ccc(cc1)N2C(=C)C3(CCCCC3)OC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J13 compound treatment 0.282 0.0373 1.39 0.292 0.0448 2.05 2.4322 0.9817 3212911 TimTec1_005491 OCCn/1c(cs\c1=N/c2ccccc2)c3cccc(c3)N4C(=O)c5ccccc5C4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J14 compound treatment 0.305 0.0603 2.24 0.304 0.0568 2.6 3.4257 0.9972 3086315 TimTec1_005492 OCCn/1c(cs\c1=N/c2cccc(c2)C(F)(F)F)c3ccc(cc3)S(=O)(=O)N4CCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J15 compound treatment 0.279 0.0343 1.28 0.278 0.0308 1.41 1.9001 0.9987 1655602 TimTec1_005493 CCOC(=O)C(Cc1ccc(NC(=O)c2ccccc2)cc1)N3C(=O)c4ccccc4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J16 compound treatment 0.256 0.0113 0.42 0.252 0.00484 0.22 0.4534 0.9555 1386199 TimTec1_005494 CC1(C)OC(=O)N(CCCC(=O)O)C1(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J17 compound treatment 0.266 0.0213 0.79 0.27 0.0228 1.05 1.2991 0.9906 1068676 TimTec1_005495 Cc1ccc(cc1)S(=O)(=O)C=C(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J18 compound treatment 0.251 0.00628 0.23 0.251 0.00384 0.18 0.2895 0.9902 3086318 TimTec1_005496 CCOC(=O)C1=C(NC(=S)NC1c2cccc(OC)c2O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J19 compound treatment 0.258 0.0133 0.49 0.26 0.0128 0.59 0.765 0.9963 1433302 TimTec1_005497 COc1cccc(c1)c2nn(CN3CCCC3)c(=S)n2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J20 compound treatment 0.254 0.00928 0.35 0.258 0.0108 0.5 0.595 0.9843 3212912 TimTec1_005498 COc1ccc(CN(C2CC(=O)N(C2=O)c3ccccc3)C(=O)/C=C/C(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J21 compound treatment 0.259 0.0143 0.53 0.256 0.00884 0.4 0.6618 0.991 3086320 TimTec1_005499 CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc4CCCc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J22 compound treatment 0.251 0.00628 0.23 0.251 0.00384 0.18 0.2895 0.9902 3212913 TimTec1_005500 CCOc1cc(/C=c/2\sc3nc4c(C)c(C)ccc4n3c2=O)cc(Cl)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J23 mock treatment 0.252 0.00728 0.27 0.251 0.00384 0.18 0.3158 0.9781 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 J24 mock treatment 0.244 -7.19E-4 -0.03 0.248 8.39E-4 0.04 0.0083 0.1763 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K01 compound treatment 0.251 0.00628 0.23 0.231 -0.0162 -0.74 -0.358 -0.4614 1526103 TimTec1_005501 CC(=O)Oc1ccc2oc(c(C(=O)O)c2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K02 compound treatment 0.251 0.00628 0.23 0.257 0.00984 0.45 0.4837 0.9533 1186869 TimTec1_005502 COc1ccccc1C(=O)Nc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K03 compound treatment 0.33 0.0853 3.17 0.339 0.0918 4.21 5.2164 0.9903 3212914 TimTec1_005503 O=C(NC(=S)NC1CCCC1)/C=C/c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K04 compound treatment 0.257 0.0123 0.46 0.256 0.00884 0.4 0.6092 0.9982 3086394 TimTec1_005504 Cc1ccc(cc1)S(=O)(=O)N=C2NCN(CN2)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K05 compound treatment 0.268 0.0233 0.87 0.264 0.0168 0.77 1.1575 0.9983 1131736 TimTec1_005505 COc1ccc(cc1OC)c2c(C)nn(c2NC(=O)C)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K06 compound treatment 0.272 0.0273 1.01 0.265 0.0178 0.82 1.2951 0.9942 1007406 TimTec1_005506 COc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K07 compound treatment 0.259 0.0143 0.53 0.251 0.00384 0.18 0.4999 0.8934 3212915 TimTec1_005507 Clc1ccccc1C(=O)N=C2NCCCCCN2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K08 compound treatment 0.264 0.0193 0.72 0.261 0.0138 0.63 0.9552 0.9981 1323784 TimTec1_005508 Cc1cccc(c1)S(=O)(=O)N2CCSC2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K09 compound treatment 0.261 0.0163 0.61 0.259 0.0118 0.54 0.8115 0.9985 1116167 TimTec1_005509 Cn1c(=O)n(C)c2nc(Br)n(CC(=O)c3ccccc3)c2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K10 compound treatment 0.259 0.0143 0.53 0.259 0.0118 0.54 0.7589 0.9999 1464973 TimTec1_005510 OC(=O)c1cc(c2ccccc2)c(cn1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K11 compound treatment 0.345 0.1 3.73 0.318 0.0708 3.24 4.931 0.9976 3212916 TimTec1_005511 Cc1ccc2nc(Nc3ccc(Cl)cc3)c(/C=N/O)c(=O)n2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K12 compound treatment 0.266 0.0213 0.79 0.265 0.0178 0.82 1.1373 0.9999 3086399 TimTec1_005512 Cc1cccc2nc3/C(=N\c4ccccc4)/c5ccccc5-c3nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K13 compound treatment 0.279 0.0343 1.28 0.265 0.0178 0.82 1.4792 0.9768 1486848 TimTec1_005513 CCCc1cc2c(=O)c(coc2cc1O)c3nc4ccccc4n3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K14 compound treatment 0.28 0.0353 1.31 0.288 0.0408 1.87 2.2501 0.985 3086401 TimTec1_005514 CSc1cccc2c(SC)cccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K15 compound treatment 0.278 0.0333 1.24 0.274 0.0268 1.23 1.7443 1.0 3212917 TimTec1_005515 C(N1CCN(CC1)/N=C/c2ccncc2)c3cccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K16 compound treatment 0.26 0.0153 0.57 0.254 0.00684 0.31 0.6233 0.9605 3086404 TimTec1_005516 O=c1/c(=C/C=C/c2ccccc2)/sc3nc4ccccc4n13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K17 compound treatment 0.261 0.0163 0.61 0.26 0.0128 0.59 0.8439 0.9999 1919931 TimTec1_005517 Sc1nnc(o1)C2(CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K18 compound treatment 0.281 0.0363 1.35 0.287 0.0398 1.82 2.2441 0.989 3212918 TimTec1_005518 Cc1ccc(cc1)C2=C/C(=C/c3c(O)ccc4ccccc34)/C(=O)O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K19 compound treatment 0.275 0.0303 1.13 0.276 0.0288 1.32 1.7301 0.9969 3086406 TimTec1_005519 COc1ccc(cc1)N2C(=O)CC(S/C(=N/c3ccccc3)/N)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K20 compound treatment 0.286 0.0413 1.54 0.276 0.0288 1.32 2.0194 0.9972 3212919 TimTec1_005520 COc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)oc4ccccc43)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K21 compound treatment 0.337 0.0923 3.43 0.321 0.0738 3.38 4.8177 1.0 3086408 TimTec1_005521 Cc1ccccc1C2C(=C(N)SC(=C2C#N)N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K22 compound treatment 0.333 0.0883 3.28 0.31 0.0628 2.88 4.3564 0.9978 3212920 TimTec1_005522 COc1ccc(cc1)C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]4C=Cc5ccccc5N24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K23 mock treatment 0.258 0.0133 0.49 0.259 0.0118 0.54 0.7326 0.9989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 K24 mock treatment 0.245 2.81E-4 0.01 0.247 -1.61E-4 -0.01 0.0022 0.1699 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L01 compound treatment 0.247 0.00228 0.08 0.24 -0.00716 -0.33 -0.1719 -0.5074 3212921 TimTec1_005523 Oc1ccc(Br)cc1/C=N/c2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L02 compound treatment 0.281 0.0363 1.35 0.278 0.0308 1.41 1.9527 0.9997 3086411 TimTec1_005524 Fc1cccc(c1)N2C(=O)/C(=C/C=C/c3ccccc3)/SC2=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L03 compound treatment 0.288 0.0433 1.61 0.296 0.0488 2.24 2.7196 0.987 3086413 TimTec1_005525 NC1=C(C#N)C(c2ccsc2)c3ccc4ccccc4c3O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L04 compound treatment 0.273 0.0283 1.05 0.274 0.0268 1.23 1.6128 0.997 1682053 TimTec1_005526 Cc1ccc2nc(cn2c1)c3ccc(O)c(O)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L05 compound treatment 0.271 0.0263 0.98 0.27 0.0228 1.05 1.4307 0.9994 1536268 TimTec1_005527 Cc1ccc(cc1)N2C(=C(C#N)C(C3=C2CC(C)(C)CC3=O)c4ccccc4)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L06 compound treatment 0.261 0.0163 0.61 0.26 0.0128 0.59 0.8439 0.9999 3211217 TimTec1_005528 CC1(C)NN1CCCN2NC2(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L07 compound treatment 0.264 0.0193 0.72 0.263 0.0158 0.73 1.0199 1.0 1273515 TimTec1_005529 OC(=O)c1cc(Cl)c(Cl)cc1C(=O)Nc2ccc(Oc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L08 compound treatment 0.258 0.0133 0.49 0.259 0.0118 0.54 0.7326 0.9989 1548568 TimTec1_005530 C=CCNC(=O)C1CC1(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L09 compound treatment 0.319 0.0743 2.76 0.305 0.0578 2.65 3.8263 0.9998 3211218 TimTec1_005531 Cc1ccc2nc(sc2c1)c3ccc(/N=C\c4ccc[nH]4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L10 compound treatment 0.267 0.0223 0.83 0.265 0.0178 0.82 1.1636 1.0 1209920 TimTec1_005532 OCN1C(C(=C(O)C1=O)C(=O)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L11 compound treatment 0.257 0.0123 0.46 0.254 0.00684 0.31 0.5444 0.983 1148781 TimTec1_005533 CCN(CC)C(=O)c1ccc(o1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L12 compound treatment 0.295 0.0503 1.87 0.26 0.0128 0.59 1.7381 0.8866 3211219 TimTec1_005534 CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L13 compound treatment 0.252 0.00728 0.27 0.249 0.00184 0.08 0.251 0.8851 1175161 TimTec1_005535 O=P(CCN1CCOCC1)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L14 compound treatment 0.264 0.0193 0.72 0.259 0.0118 0.54 0.8904 0.9905 3086492 TimTec1_005536 OC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L15 compound treatment 0.256 0.0113 0.42 0.253 0.00584 0.27 0.4857 0.9763 3211220 TimTec1_005537 CCOC(=O)CC1=C(C#N)C(C(=C(N)O1)C(=O)OCC)c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L16 compound treatment 0.275 0.0303 1.13 0.259 0.0118 0.54 1.1797 0.9438 1174009 TimTec1_005538 CCCSc1nnc2c3ccccc3n(Cc4ccccc4)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L17 compound treatment 0.402 0.157 5.85 0.381 0.134 6.13 8.4698 0.9997 3211221 TimTec1_005539 COc1cc(/C=C/2\S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc(OC)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L18 compound treatment 0.27 0.0253 0.94 0.272 0.0248 1.14 1.4691 0.9955 3211222 TimTec1_005540 CC(=O)N1c2ccccc2C3=NNC(=S)NC13O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L19 compound treatment 0.259 0.0143 0.53 0.261 0.0138 0.63 0.8237 0.9962 3086496 TimTec1_005541 COc1cc(/C=N/c2ccc(\N=C\c3ccc(OC(=O)C)c(OC)c3)cc2)ccc1OC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L20 compound treatment 0.342 0.0973 3.62 0.371 0.124 5.67 6.568 0.9765 3211223 TimTec1_005542 O=C/1N(C2CCCC2)/C(=N\c3ccccc3)/S\C1=C\c4c[nH]c5ccccc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L21 compound treatment 0.309 0.0643 2.39 0.306 0.0588 2.69 3.5956 0.9982 1270230 TimTec1_005543 COC(=O)C1=C(N)N(C2=C(C1c3ccc(OC)cc3)C(=O)CCC2)c4ccc(C)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L22 compound treatment 0.251 0.00628 0.23 0.249 0.00184 0.08 0.2247 0.905 3086498 TimTec1_005544 CC(C)/C=N/N1C(C(C)C)C(C#N)(C#N)C(=C1N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L23 mock treatment 0.255 0.0103 0.38 0.256 0.00884 0.4 0.5566 0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 L24 mock treatment 0.248 0.00328 0.12 0.249 0.00184 0.08 0.1458 0.9836 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M01 compound treatment 0.27 0.0253 0.94 0.255 0.00784 0.36 0.9187 0.9128 1414805 TimTec1_005545 CC(NC(=O)OCc1ccccc1)C(=O)Oc2cc3oc(=O)c(Cl)c(C)c3cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M02 compound treatment 0.267 0.0223 0.83 0.273 0.0258 1.18 1.4226 0.9848 3086501 TimTec1_005546 CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(=C(C#N)C1c3ccc(F)cc3)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M03 compound treatment 0.254 0.00928 0.35 0.252 0.00484 0.22 0.4008 0.977 1514197 TimTec1_005547 Cc1cccc(NCN2C(=O)CSC2=O)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M04 compound treatment 0.26 0.0153 0.57 0.255 0.00784 0.36 0.6557 0.9754 1084346 TimTec1_005548 CCOC(=O)Cc1nc2ccccc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M05 compound treatment 0.303 0.0583 2.17 0.303 0.0558 2.56 3.3407 0.9966 1367503 TimTec1_005549 CC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc2ccc3c4CCCCc4c(=O)oc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M06 compound treatment 0.269 0.0243 0.9 0.264 0.0168 0.77 1.1838 0.9969 1003422 TimTec1_005550 CC(=O)Oc1ccc(cc1)C(=O)c2ccc(OC(=O)C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M07 compound treatment 0.274 0.0293 1.09 0.276 0.0288 1.32 1.7038 0.9954 3085493 TimTec1_005551 CC1=C(N(N/C(=N\CC=C)/S1)c2ccc3OCCOc3c2)C(=O)Nc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M08 compound treatment 0.255 0.0103 0.38 0.254 0.00684 0.31 0.4918 0.9951 1442839 TimTec1_005552 OCCN1CCN(CC1)C(=O)Nc2cccc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M09 compound treatment 0.269 0.0243 0.9 0.266 0.0188 0.86 1.2485 0.9997 1468923 TimTec1_005553 CCOC(=O)c1c(N)cc2[nH]c(=S)[nH]c(=O)c2c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M10 compound treatment 0.252 0.00728 0.27 0.253 0.00584 0.27 0.3805 1.0 3085496 TimTec1_005554 Cc1ccccc1c2nccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M11 compound treatment 0.25 0.00528 0.2 0.254 0.00684 0.31 0.3603 0.9748 1298715 TimTec1_005555 CCOC(=O)NS(=O)(=O)c1ccc(C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M12 compound treatment 0.269 0.0243 0.9 0.265 0.0178 0.82 1.2162 0.9987 3211224 TimTec1_005556 Cc1ccc-2c(c1)/C(=C/c3ccncc3)/c4cc5ccccc5nc42 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M13 compound treatment 0.27 0.0253 0.94 0.265 0.0178 0.82 1.2425 0.9975 1313295 TimTec1_005557 Cc1c(OCC(=O)OCc2ccccc2)ccc3c4ccccc4c(=O)oc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M14 compound treatment 0.254 0.00928 0.35 0.252 0.00484 0.22 0.4008 0.977 1489666 TimTec1_005558 COC(=O)C(C)N(C(=O)c1c(F)cccc1F)c2c(C)cccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M15 compound treatment 0.249 0.00428 0.16 0.249 0.00184 0.08 0.1721 0.9556 1632514 TimTec1_005559 Clc1ccccc1N2C(=O)CC(Nc3ccccc3)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M16 compound treatment 0.29 0.0453 1.68 0.278 0.0308 1.41 2.1894 0.9962 3085499 TimTec1_005560 CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(Cl)cc2)/S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M17 compound treatment 0.256 0.0113 0.42 0.256 0.00884 0.4 0.5829 0.9998 3211225 TimTec1_005561 CC1(C)OC(=O)N(Cc2ccccc2)C1=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M18 compound treatment 0.272 0.0273 1.01 0.269 0.0218 1.0 1.4246 1.0 1242728 TimTec1_005562 Cc1ccc(NS(=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M19 compound treatment 0.306 0.0613 2.28 0.343 0.0958 4.39 4.7147 0.9534 1175444 TimTec1_005563 CCOc1ccc2nc(SCc3c[nH]c4ccccc34)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M20 compound treatment 0.258 0.0133 0.49 0.256 0.00884 0.4 0.6355 0.9951 1133231 TimTec1_005564 Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M21 compound treatment 0.279 0.0343 1.28 0.273 0.0258 1.18 1.7382 0.9993 3085503 TimTec1_005565 COc1cc(/C=N/c2c(nc3ccccn23)c4ccc(O)c(OC)c4)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M22 compound treatment 0.295 0.0503 1.87 0.283 0.0358 1.64 2.4828 0.9979 3211226 TimTec1_005566 CC(=O)N1CC=C2[C@H](C1)[C@@H](c3ccc(F)cc3F)C(C#N)(C#N)C(=C2C#N)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M23 mock treatment 0.29 0.0453 1.68 0.257 0.00984 0.45 1.5095 0.8658 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 M24 mock treatment 0.25 0.00528 0.2 0.245 -0.00216 -0.1 0.0689 0.3134 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N01 compound treatment 0.334 0.0893 3.32 0.323 0.0758 3.47 4.8036 0.9998 2116249 TimTec1_005567 O=C/1NC(=S)N(C(=O)\C1=C\c2c[nH]c3ccccc23)c4cccc5ccccc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N02 compound treatment 0.258 0.0133 0.49 0.258 0.0108 0.5 0.7002 1.0 1630568 TimTec1_005568 CC(=Cc1c(O)nc2ccccn2c1=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N03 compound treatment 0.247 0.00228 0.08 0.248 8.39E-4 0.04 0.0872 0.9358 1455275 TimTec1_005569 CCOC(=O)CCC1(CCC(=O)OCC)c2ccccc2-c3nc4ccccc4cc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N04 compound treatment 0.249 0.00428 0.16 0.247 -1.61E-4 -0.01 0.1074 0.6736 1423540 TimTec1_005570 CCNC(=O)C1CN(C(=O)C1)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N05 compound treatment 0.274 0.0293 1.09 0.263 0.0158 0.73 1.2829 0.9805 3211227 TimTec1_005571 S/C(=C(/C(=O)c1ccccc1)\[n+]2ccccc2)/Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N06 compound treatment 0.267 0.0223 0.83 0.263 0.0158 0.73 1.0988 0.9978 3085508 TimTec1_005572 CCOC(=O)Cn/1c(cs\c1=N/c2ccc(F)cc2)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N07 compound treatment 0.252 0.00728 0.27 0.246 -0.00116 -0.05 0.1539 0.5576 3211228 TimTec1_005573 S=c1[nH]nc([nH]1)C2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N08 compound treatment 0.247 0.00228 0.08 0.25 0.00284 0.13 0.1519 0.9786 1670836 TimTec1_005574 COc1ccc2C(=O)C(CCc2c1C)C3(O)C(=O)N(C)c4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N09 compound treatment 0.269 0.0243 0.9 0.267 0.0198 0.91 1.2809 1.0 2116264 TimTec1_005575 Cc1[nH]c2ccccc2c1/C=N/c3ccc(\N=C\c4c(C)[nH]c5ccccc45)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N10 compound treatment 0.252 0.00728 0.27 0.249 0.00184 0.08 0.251 0.8851 1703166 TimTec1_005576 Cn1c(SCC(=O)N2CCCCC2)nc3n(C)c(=O)n(C)c(=O)c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N11 compound treatment 0.249 0.00428 0.16 0.249 0.00184 0.08 0.1721 0.9556 3211229 TimTec1_005577 COc1ccc(cc1)n2nc(C#N)c(N)c(C#N)c2=N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N12 compound treatment 0.249 0.00428 0.16 0.25 0.00284 0.13 0.2045 0.9949 3085531 TimTec1_005578 O=C(Cn1nnc2ccccc12)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N13 compound treatment 0.295 0.0503 1.87 0.297 0.0498 2.28 2.936 0.9951 1157884 TimTec1_005579 Cc1ccc(cc1C)c2csc(Nc3ccc4OCOc4c3)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N14 compound treatment 0.25 0.00528 0.2 0.248 8.39E-4 0.04 0.1661 0.8296 1380401 TimTec1_005580 CCOc1ccc(cc1)N2C(=O)CC(N(Cc3ccc(Cl)cc3)C(=O)c4ccc(Cl)cc4)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N15 compound treatment 0.576 0.331 12.32 0.535 0.288 13.18 18.0322 0.9994 3085535 TimTec1_005581 OC(=O)CN1C(=O)/C(=C\c2ccsc2)/SC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N16 compound treatment 0.282 0.0373 1.39 0.27 0.0228 1.05 1.72 0.9903 3211425 TimTec1_005582 Oc1ccccc1/C=N/c2ccc3nc(SCC(=O)NCCOc4ccccc4)sc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N17 compound treatment 0.258 0.0133 0.49 0.257 0.00984 0.45 0.6679 0.9989 1583377 TimTec1_005583 CC1CN(CN2C(=O)c3ccccc3C2=O)CC(C)O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N18 compound treatment 0.251 0.00628 0.23 0.251 0.00384 0.18 0.2895 0.9902 1137144 TimTec1_005584 Nc1nnc(CCN2CCCCC2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N19 compound treatment 0.249 0.00428 0.16 0.247 -1.61E-4 -0.01 0.1074 0.6736 3211426 TimTec1_005585 CC1=C(C(NC(=O)N1)c2ccc3OCOc3c2)C(=O)OCC(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N20 compound treatment 0.271 0.0263 0.98 0.263 0.0158 0.73 1.204 0.9892 3211427 TimTec1_005586 COc1cc(/C=C\2/S/C(=N/Cc3ccccc3)/N(Cc4ccccc4)C2=O)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N21 compound treatment 0.252 0.00728 0.27 0.254 0.00684 0.31 0.4129 0.9974 3085538 TimTec1_005587 Cc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N22 compound treatment 0.326 0.0813 3.02 0.331 0.0838 3.84 4.8522 0.993 1176605 TimTec1_005588 Fc1ccc(cc1)c2nc3c([nH]2)c4ccccc4c5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N23 mock treatment 0.251 0.00628 0.23 0.25 0.00284 0.13 0.2571 0.9617 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 N24 mock treatment 0.247 0.00228 0.08 0.251 0.00384 0.18 0.1843 0.9442 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O01 compound treatment 0.251 0.00628 0.23 0.244 -0.00316 -0.14 0.0629 0.2287 1527225 TimTec1_005589 CCc1cc2c(=O)c(c3nc4ccccc4[nH]3)c(C)oc2cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O02 compound treatment 0.254 0.00928 0.35 0.26 0.0128 0.59 0.6598 0.9678 3085541 TimTec1_005590 NC1=C(C#N)C2=CCSC[C@H]2[C@H](c3cccc(Cl)c3)C1(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O03 compound treatment 0.253 0.00828 0.31 0.242 -0.00516 -0.24 0.0507 0.1306 1190084 TimTec1_005591 CCOc1ccccc1C(=O)NCCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O04 compound treatment 0.27 0.0253 0.94 0.252 0.00484 0.22 0.8216 0.8504 1047189 TimTec1_005592 Clc1ccc(cc1)S(=O)(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O05 compound treatment 0.253 0.00828 0.31 0.246 -0.00116 -0.05 0.1802 0.5765 3211428 TimTec1_005593 CC(C)(C)OC(=O)C1CCC(CN1)C(=O)Oc2ccc3c4CCCCc4c(=O)oc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O06 compound treatment 0.255 0.0103 0.38 0.249 0.00184 0.08 0.3299 0.8426 1652072 TimTec1_005594 COC(=O)C1C(C(C(=O)OC)C(C)(O)CC1=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O07 compound treatment 0.249 0.00428 0.16 0.245 -0.00216 -0.1 0.0426 0.2274 3211429 TimTec1_005595 Clc1cccc(NC(=O)N=C2NCCCCCN2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O08 compound treatment 0.254 0.00928 0.35 0.256 0.00884 0.4 0.5303 0.9969 1649723 TimTec1_005596 CC(C)CN1C(=O)N(C(n2oc(=O)n(c3ccccc3)c2=O)C1(C)C)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O09 compound treatment 0.279 0.0343 1.28 0.273 0.0258 1.18 1.7382 0.9993 1511407 TimTec1_005597 CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O10 compound treatment 0.251 0.00628 0.23 0.253 0.00584 0.27 0.3542 0.9977 3085546 TimTec1_005598 Cc1ccccc1c2ccc3cccc(C)c3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O11 compound treatment 0.238 -0.00672 -0.25 0.238 -0.00916 -0.42 -0.4733 -0.9694 3211430 TimTec1_005599 S(c1nnc[nH]1)c2nc3ccccc3nc2Sc4nnc[nH]4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O12 compound treatment 0.252 0.00728 0.27 0.252 0.00484 0.22 0.3482 0.995 1067246 TimTec1_005600 COc1ccc(C)c2C(=O)CCCc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O13 compound treatment 0.27 0.0253 0.94 0.262 0.0148 0.68 1.1453 0.9873 1520144 TimTec1_005601 CC(NC(=O)OCc1ccccc1)C(=O)Oc2ccc3c(=O)c(coc3c2)c4ccc(F)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O14 compound treatment 0.263 0.0183 0.68 0.259 0.0118 0.54 0.8641 0.9937 1641803 TimTec1_005602 Clc1cc(OC(=O)C2CCCCC2)ccc1OC(=O)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O15 compound treatment 0.267 0.0223 0.83 0.273 0.0258 1.18 1.4226 0.9848 3211431 TimTec1_005603 OC1=C(C#N)[C@@H]([C@H](C(=O)N1CCc2ccccc2)[n+]3ccccc3)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O16 compound treatment 0.258 0.0133 0.49 0.249 0.00184 0.08 0.4088 0.8159 1578376 TimTec1_005604 Cc1cc(=O)oc2cc(OC(=O)c3cc4ccccc4o3)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O17 compound treatment 0.294 0.0493 1.83 0.285 0.0378 1.73 2.5212 0.9996 3211432 TimTec1_005605 CCc1nc(SC/C=C/c2ccccc2)c(C#N)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O18 compound treatment 0.266 0.0213 0.79 0.264 0.0168 0.77 1.1049 0.9999 1218415 TimTec1_005606 CCOC(=O)C1=C(C)NC(=S)NC1c2ccc(OCC(=O)N3CCCCC3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O19 compound treatment 0.246 0.00128 0.05 0.246 -0.00116 -0.05 -0.0039 -0.0546 1784221 TimTec1_005607 CCc1oc2ccccc2c1C(=O)CCN3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O20 compound treatment 0.242 -0.00272 -0.1 0.246 -0.00116 -0.05 -0.1091 -0.9549 3085555 TimTec1_005608 Cc1c(Cl)cccc1NC2=NS(=O)(=O)c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O21 compound treatment 0.25 0.00528 0.2 0.251 0.00384 0.18 0.2632 0.9985 1638741 TimTec1_005609 CC(C)NC(=O)C1CN(CCN1S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O22 compound treatment 0.245 2.81E-4 0.01 0.278 0.0308 1.41 1.0058 0.7123 3211433 TimTec1_005610 COc1ccc(cc1)C(=O)CSc2nsc(SCC(=O)c3ccc(OC)cc3)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O23 mock treatment 0.251 0.00628 0.23 0.249 0.00184 0.08 0.2247 0.905 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 O24 mock treatment 0.234 -0.0107 -0.4 0.236 -0.0112 -0.51 -0.6433 -0.9925 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P01 compound treatment 0.203 -0.0417 -1.55 0.216 -0.0312 -1.43 -2.1061 -0.9991 3085557 TimTec1_005611 Oc1ccc(Br)cc1/C=N/CC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P02 compound treatment 0.291 0.0463 1.72 0.291 0.0438 2.01 2.6366 0.9971 1175377 TimTec1_005612 Sc1nnc2c3ccccc3n(Cc4ccccc4)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P03 compound treatment 0.253 0.00828 0.31 0.238 -0.00916 -0.42 -0.0788 -0.1514 3211434 TimTec1_005613 Cc1ccccc1c2nnc3-c4ccccc4CC(C)(C)n23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P04 compound treatment 0.261 0.0163 0.61 0.257 0.00984 0.45 0.7468 0.9894 1673398 TimTec1_005614 CCCC1C(C2c3ccccc3C1c4ccccc24)C(=O)Nc5ccccc5OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P05 compound treatment 0.274 0.0293 1.09 0.239 -0.00816 -0.37 0.5059 0.4394 1642050 TimTec1_005615 N#Cc1ccc(cc1C#N)n2nnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P06 compound treatment 0.252 0.00728 0.27 0.248 8.39E-4 0.04 0.2187 0.7994 1492547 TimTec1_005616 CC1(C)CC(=O)c2cc(c3ccc(Br)cc3)n(CC(=O)O)c2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P07 compound treatment 0.252 0.00728 0.27 0.245 -0.00216 -0.1 0.1215 0.4215 3085561 TimTec1_005617 Oc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P08 compound treatment 0.273 0.0283 1.05 0.27 0.0228 1.05 1.4833 1.0 3211435 TimTec1_005618 CCOc1ccc2ccccc2c1/C=C/3\C(=O)NC(=S)N(C3=O)c4cccc(Cl)c4Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P09 compound treatment 0.257 0.0123 0.46 0.254 0.00684 0.31 0.5444 0.983 3085562 TimTec1_005619 COc1cccc(c1)c2nnc(SCC(=O)NCCOc3ccccc3)n2c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P10 compound treatment 0.242 -0.00272 -0.1 0.243 -0.00416 -0.19 -0.2062 -0.9561 3211436 TimTec1_005620 Cn1cnnc1SCN2C(=O)c3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P11 compound treatment 0.245 2.81E-4 0.01 0.247 -1.61E-4 -0.01 0.0022 0.1699 1443624 TimTec1_005621 CCOP(=O)(C)C1(CC1)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P12 compound treatment 0.238 -0.00672 -0.25 0.235 -0.0122 -0.56 -0.5704 -0.9346 1354424 TimTec1_005622 CCN(CC)C(=O)C1(CC1)P(=O)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P13 compound treatment 0.244 -7.19E-4 -0.03 0.247 -1.61E-4 -0.01 -0.0241 -0.8699 1466364 TimTec1_005623 COCc1cc(C)c2c(n1)sc3c4nc5ccccc5n4c(C)nc32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P14 compound treatment 0.305 0.0603 2.24 0.294 0.0468 2.14 3.1019 0.9998 3211437 TimTec1_005624 C=CCN/1C(=O)/C(=C\c2cccs2)/S\C1=N\c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P15 compound treatment 0.28 0.0353 1.31 0.281 0.0338 1.55 2.0235 0.9966 1444037 TimTec1_005625 Nc1nc(CCc2ccccc2)c(C#N)c(N)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P16 compound treatment 0.366 0.121 4.51 0.362 0.115 5.26 6.9079 0.9971 3085567 TimTec1_005626 COc1ccc2NC(=O)/C(=C/3\SC(=S)NC3=O)/c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P17 compound treatment 0.26 0.0153 0.57 0.26 0.0128 0.59 0.8176 0.9999 1603829 TimTec1_005627 Nc1nc(CSc2nc3ccccc3s2)nc(Nc4ccccc4)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P18 compound treatment 0.283 0.0383 1.42 0.266 0.0188 0.86 1.6168 0.9712 1171831 TimTec1_005628 Cc1ccc(Nc2nc(C)nc3c4ccccc4oc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P19 compound treatment 0.261 0.0163 0.61 0.254 0.00684 0.31 0.6496 0.9529 1524350 TimTec1_005629 COC(=O)c1ccc(NC(=O)Cn2nc(SC)n(N)c2=S)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P20 compound treatment 0.237 -0.00772 -0.29 0.24 -0.00716 -0.33 -0.4349 -0.9978 3211438 TimTec1_005630 CCOC(=O)/C=C/c1ccco1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P21 compound treatment 0.256 0.0113 0.42 0.248 8.39E-4 0.04 0.3239 0.7686 3211439 TimTec1_005631 CCOC(=O)C1C2NC(=S)N[C@]1(C)Oc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P22 compound treatment 0.249 0.00428 0.16 0.251 0.00384 0.18 0.2369 0.9988 3085589 TimTec1_005632 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)ccc1OCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P23 mock treatment 0.239 -0.00572 -0.21 0.244 -0.00316 -0.14 -0.2528 -0.9824 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2078 P24 mock treatment 0.21 -0.0347 -1.29 0.219 -0.0282 -1.29 -1.8249 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A01 compound treatment 0.175 -0.074 -2.75 0.178 -0.0616 -2.82 -3.9394 -0.9999 3211440 TimTec1_005633 CC(=O)n1cc(/C=c\2/sc3nc4c(C)c(C)ccc4n3c2=O)c(n1)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A02 compound treatment 0.303 0.054 2.01 0.299 0.0594 2.72 3.3447 0.9889 3085592 TimTec1_005634 Cc1nc(N)sc1c2csc(Nc3cccc(Cl)c3)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A03 compound treatment 0.222 -0.027 -1.0 0.231 -0.00859 -0.39 -0.9873 -0.9164 3211529 TimTec1_005635 CCC(=O)N1N=C(CC1(O)c2ccc(F)cc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A04 compound treatment 0.229 -0.02 -0.74 0.223 -0.0166 -0.76 -1.0622 -0.9999 1419705 TimTec1_005636 CC1CCC(=C(C#N)C(=O)NCc2ccccc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A05 compound treatment 0.221 -0.028 -1.04 0.213 -0.0266 -1.22 -1.5963 -0.9969 1732858 TimTec1_005637 Fc1ccc2C(=O)N(C3CCCCCCC3)C(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A06 compound treatment 0.258 0.00903 0.34 0.248 0.00841 0.39 0.51 0.9977 3211530 TimTec1_005638 Fc1ccc(cc1)C2Nc3ccc(OC(F)(F)F)cc3C4C=CCC42 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A07 compound treatment 0.239 -0.00997 -0.37 0.219 -0.0206 -0.94 -0.9287 -0.9169 1737054 TimTec1_005639 Nn1c(CO)nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A08 compound treatment 0.242 -0.00697 -0.26 0.22 -0.0196 -0.9 -0.8174 -0.8756 1175030 TimTec1_005640 CC(C)(O)c1cn2ccccc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A09 compound treatment 0.234 -0.015 -0.56 0.234 -0.00559 -0.26 -0.5745 -0.9377 1364286 TimTec1_005641 COc1ccc(cc1)C(CC#N)C2CCOC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A10 compound treatment 0.238 -0.011 -0.41 0.219 -0.0206 -0.94 -0.955 -0.9298 1357576 TimTec1_005642 O=C(NCCc1ccc(cc1)S(=O)(=O)N2CCCC2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A11 compound treatment 0.304 0.055 2.05 0.324 0.0844 3.87 4.1804 0.9558 3211531 TimTec1_005643 CNC(=S)N(C)/N=C\1/C(=O)N(Cc2c(Cl)cccc2Cl)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A12 compound treatment 0.237 -0.012 -0.45 0.236 -0.00359 -0.16 -0.4309 -0.9081 3085598 TimTec1_005644 CCc1nn2c(C)cc(O)nc2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A13 compound treatment 0.219 -0.03 -1.11 0.229 -0.0106 -0.48 -1.1309 -0.9304 1530862 TimTec1_005645 C1Cc2c(C1)c3c(ccc4ccccc43)nc2c5cccs5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A14 compound treatment 0.242 -0.00697 -0.26 0.23 -0.00959 -0.44 -0.4936 -0.9684 1575017 TimTec1_005646 CC1CN(OC(O1)c2ccc3OCOc3c2)C(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A15 compound treatment 0.236 -0.013 -0.48 0.239 -5.86E-4 -0.03 -0.36 -0.7453 3085600 TimTec1_005647 OC(=O)C1CC(=O)N(Cc2ccccc2)/C(=N/c3ccc(F)cc3)/S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A16 compound treatment 0.246 -0.00297 -0.11 0.235 -0.00459 -0.21 -0.2265 -0.9549 1628881 TimTec1_005648 CCC(N)C1(CC2CC3CC(C2)C1)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A17 compound treatment 0.234 -0.015 -0.56 0.232 -0.00759 -0.35 -0.6393 -0.9742 3085602 TimTec1_005649 FC(F)(F)c1cccc(NCn2c(=S)oc3ccc(Cl)cc23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A18 compound treatment 0.252 0.00303 0.11 0.25 0.0104 0.48 0.4169 0.8509 1127153 TimTec1_005650 CC(C)c1ccccc1NN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A19 compound treatment 0.224 -0.025 -0.93 0.213 -0.0266 -1.22 -1.5174 -0.9911 1348096 TimTec1_005651 CN(C)c1nc2n(C)c(=O)n(C)c(=O)c2n1CC(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A20 compound treatment 0.239 -0.00997 -0.37 0.22 -0.0196 -0.9 -0.8963 -0.9236 1611764 TimTec1_005652 COC(=O)CCn1cc(F)c(N)nc1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A21 compound treatment 0.223 -0.026 -0.97 0.224 -0.0156 -0.71 -1.1876 -0.9889 1564099 TimTec1_005653 CN(C)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A22 compound treatment 0.21 -0.039 -1.45 0.213 -0.0266 -1.22 -1.8857 -0.9962 1394944 TimTec1_005654 C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A23 mock treatment 0.231 -0.018 -0.67 0.196 -0.0436 -2.0 -1.8837 -0.895 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 A24 mock treatment 0.18 -0.069 -2.57 0.179 -0.0606 -2.77 -3.7755 -0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B01 compound treatment 0.211 -0.038 -1.41 0.206 -0.0336 -1.54 -2.086 -0.9991 3211532 TimTec1_005655 SC1=NC(=O)/C(=C\c2cccnc2)/S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B02 compound treatment 0.256 0.00703 0.26 0.25 0.0104 0.48 0.5221 0.96 1491875 TimTec1_005656 COc1ccc(cc1)S(=O)(=O)NCCC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B03 compound treatment 0.259 0.01 0.37 0.249 0.00941 0.43 0.5686 0.9974 3085609 TimTec1_005657 Cc1nn(c(O)c1CCC#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B04 compound treatment 0.277 0.028 1.04 0.265 0.0254 1.16 1.5601 0.9985 3211533 TimTec1_005658 FC(F)(F)C(NCC1(CC2CC3CC(C2)C1)C3)(NC(=O)c4ccccc4)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B05 compound treatment 0.286 0.037 1.38 0.276 0.0364 1.67 2.1529 0.9955 3085612 TimTec1_005659 COc1cc(NC=C2C(=O)NC(=O)NC2=O)cc(OC)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B06 compound treatment 0.256 0.00703 0.26 0.247 0.00741 0.34 0.425 0.9917 3085613 TimTec1_005660 Cc1cc(cc(C)c1O)C(O)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B07 compound treatment 0.278 0.029 1.08 0.273 0.0334 1.53 1.8454 0.9855 3211534 TimTec1_005661 FC(F)(F)c1ccccc1C2C3=C(CCCC3=O)Nc4ccc5ncccc5c24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B08 compound treatment 0.31 0.061 2.27 0.301 0.0614 2.81 3.5936 0.9944 1339353 TimTec1_005662 CCc1ccc(cc1)C(=O)c2c(c(c3cc(ccn23)C(C)(C)C)S(=O)(=O)CC)S(=O)(=O)CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B09 compound treatment 0.263 0.014 0.52 0.256 0.0164 0.75 0.9005 0.9841 1735427 TimTec1_005663 CC1(C)CC(=O)CC(C)(C)N1OC(=O)c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B10 compound treatment 0.254 0.00503 0.19 0.246 0.00641 0.29 0.34 0.9763 1503527 TimTec1_005664 CCC(NC(=O)c1ccc(cc1)S(=O)(=O)N2CCOCC2)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B11 compound treatment 0.267 0.018 0.67 0.264 0.0244 1.12 1.2647 0.9701 1555325 TimTec1_005665 CCOc1ccccc1NN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B12 compound treatment 0.258 0.00903 0.34 0.259 0.0194 0.89 0.8661 0.9114 3085617 TimTec1_005666 COc1ccc(/C=N/n2c(=O)c(nn3cnnc23)C(C)(C)C)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B13 compound treatment 0.271 0.022 0.82 0.261 0.0214 0.98 1.2728 0.996 1402991 TimTec1_005667 Cc1ccc(Oc2cc(C#N)c(C#N)cc2n3nnc4ccccc34)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B14 compound treatment 0.27 0.021 0.78 0.266 0.0264 1.21 1.4083 0.9778 3085619 TimTec1_005668 CC/N=C\1/S/C(=C/c2sccc2C)/C(=O)N1CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B15 compound treatment 0.296 0.047 1.75 0.286 0.0464 2.13 2.7397 0.9953 1257857 TimTec1_005669 OC1=C(C(C#Cc2ccccc2)C3=C(O)CCCC3=O)C(=O)CCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B16 compound treatment 0.265 0.016 0.6 0.255 0.0154 0.71 0.9207 0.9965 1631021 TimTec1_005670 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3c(C)ccc4nsnc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B17 compound treatment 0.274 0.025 0.93 0.264 0.0244 1.12 1.4488 0.9959 1219783 TimTec1_005671 COc1ccc(cc1)N2C(=O)NC(=O)C(Cc3ccc(O)c(OC)c3)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B18 compound treatment 0.264 0.015 0.56 0.258 0.0184 0.84 0.9915 0.9801 3211535 TimTec1_005672 Cc1cc(NC(=O)NC(=O)c2ccc(F)cc2)n[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B19 compound treatment 0.263 0.014 0.52 0.256 0.0164 0.75 0.9005 0.9841 1033315 TimTec1_005673 Cc1cc(C)n(n1)C(=S)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B20 compound treatment 0.26 0.011 0.41 0.256 0.0164 0.75 0.8216 0.9595 3085624 TimTec1_005674 CSc1snc(O)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B21 compound treatment 0.252 0.00303 0.11 0.249 0.00941 0.43 0.3845 0.8631 3211536 TimTec1_005675 CCc1ccc(cc1)C2=Nn3c(C)nnc3SC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B22 compound treatment 0.273 0.024 0.89 0.262 0.0224 1.03 1.3577 0.9976 3085626 TimTec1_005676 O=C(Nc1cccc(c1)c2nnc(o2)c3ccco3)C(c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B23 mock treatment 0.253 0.00403 0.15 0.245 0.00541 0.25 0.2813 0.971 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 B24 mock treatment 0.234 -0.015 -0.56 0.197 -0.0426 -1.95 -1.7725 -0.8741 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C01 compound treatment 0.242 -0.00697 -0.26 0.232 -0.00759 -0.35 -0.4289 -0.9896 1675170 TimTec1_005677 C(Oc1cccc(c1)c2nnc3ccc4ccccc4n23)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C02 compound treatment 0.289 0.04 1.49 0.278 0.0384 1.76 2.2966 0.9966 1346658 TimTec1_005678 Fc1ccccc1C2Nc3ccc4ccccc4c3C5C=CCC52 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C03 compound treatment 0.242 -0.00697 -0.26 0.241 0.00141 0.06 -0.1375 -0.5147 3085628 TimTec1_005679 COC(C)n1cc(Br)c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C04 compound treatment 0.253 0.00403 0.15 0.243 0.00341 0.16 0.2166 0.9998 1681244 TimTec1_005680 Cc1cc(Oc2cc(C#N)c3ccccc3n2)ccc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C05 compound treatment 0.251 0.00203 0.08 0.241 0.00141 0.06 0.0992 0.997 3085667 TimTec1_005681 Fc1ccc2C(=O)N(N3CCOCC3)C(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C06 compound treatment 0.259 0.01 0.37 0.252 0.0124 0.57 0.6658 0.9792 1270347 TimTec1_005682 Cn1c(=N)n(CC(=O)C2(CC3CC4CC(C3)C2)C4)c5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C07 compound treatment 0.246 -0.00297 -0.11 0.242 0.00241 0.11 1.0E-4 6.0E-4 1454435 TimTec1_005683 CSc1nc2-c3ccccc3CC(C)(C)c2c(=O)n1Cc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C08 compound treatment 0.262 0.013 0.48 0.259 0.0194 0.89 0.9713 0.9593 1371600 TimTec1_005684 Cc1ccc(cc1)C(=O)Cn2c(=N)n(C)c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C09 compound treatment 0.248 -9.68E-4 -0.04 0.243 0.00341 0.16 0.0851 0.5304 1605543 TimTec1_005685 CSC1=NC2(Cc3ccccc13)CCCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C10 compound treatment 0.285 0.036 1.34 0.284 0.0444 2.03 2.3856 0.9795 1564745 TimTec1_005686 CC(C)(O)C#Cc1ccc(cc1)C(=O)NCC(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C11 compound treatment 0.307 0.058 2.16 0.303 0.0634 2.9 3.5794 0.9893 3085653 TimTec1_005687 O=C(Nc1ccccc1)OCC23COC(N3C(OC2)c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C12 compound treatment 0.249 3.23E-5 0.0 0.248 0.00841 0.39 0.2733 0.7093 1696532 TimTec1_005688 O=C1N(C(Nc2ccccc12)c3cccs3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C13 compound treatment 0.29 0.041 1.53 0.282 0.0424 1.94 2.4524 0.9929 3211537 TimTec1_005689 Cc1ccc(/N=C/2\NC(=O)C(Cc3cccc(c3)C(F)(F)F)S2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C14 compound treatment 0.239 -0.00997 -0.37 0.236 -0.00359 -0.16 -0.3783 -0.9329 1190215 TimTec1_005690 CC(C1Nc2ccccc2C(=O)N1c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C15 compound treatment 0.245 -0.00397 -0.15 0.245 0.00541 0.25 0.0709 0.2458 1378935 TimTec1_005691 CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc3CCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C16 compound treatment 0.265 0.016 0.6 0.26 0.0204 0.93 1.0826 0.9764 1327450 TimTec1_005692 CCC(=O)Nc1nonc1c2nc3ccccc3n2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C17 compound treatment 0.244 -0.00497 -0.18 0.24 4.14E-4 0.02 -0.1173 -0.6313 3211622 TimTec1_005693 CCC(=O)NC(Nc1sc2CCCCc2c1C#N)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C18 compound treatment 0.262 0.013 0.48 0.253 0.0134 0.61 0.777 0.9931 1168333 TimTec1_005694 CC(C)CCN1NC2(CCCCC2)NC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C19 compound treatment 0.245 -0.00397 -0.15 0.243 0.00341 0.16 0.0062 0.0287 3211623 TimTec1_005695 CN1C2=C(C(NC1=O)c3ccccc3)C(=O)N(C2)c4ccc(C)c(C)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C20 compound treatment 0.245 -0.00397 -0.15 0.24 4.14E-4 0.02 -0.091 -0.6113 1532646 TimTec1_005696 Cn1nccc1C(=O)NCCN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C21 compound treatment 0.252 0.00303 0.11 0.25 0.0104 0.48 0.4169 0.8509 1534811 TimTec1_005697 COc1c(O)ccc2c(OC)c3ccoc3nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C22 compound treatment 0.248 -9.68E-4 -0.04 0.242 0.00241 0.11 0.0527 0.4534 3085660 TimTec1_005698 Cn1c2ccccc2c3nnc(SCc4ccc(F)cc4Cl)nc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C23 mock treatment 0.243 -0.00597 -0.22 0.239 -5.86E-4 -0.03 -0.1759 -0.7869 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 C24 mock treatment 0.217 -0.032 -1.19 0.206 -0.0336 -1.54 -1.9282 -0.9919 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D01 compound treatment 0.249 3.23E-5 0.0 0.251 0.0114 0.52 0.3704 0.7087 3211624 TimTec1_005699 CC1CN=C(S1)N(C(=O)Nc2ccccc2)c3ccc(OC(F)(F)F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D02 compound treatment 0.258 0.00903 0.34 0.246 0.00641 0.29 0.4452 0.9978 3085662 TimTec1_005700 C(Sc1ncn[nH]1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D03 compound treatment 0.261 0.012 0.45 0.247 0.00741 0.34 0.5565 0.9907 3211625 TimTec1_005701 Cc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccccc4)/S2)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D04 compound treatment 0.242 -0.00697 -0.26 0.24 4.14E-4 0.02 -0.1699 -0.6537 3085663 TimTec1_005702 FC(F)(F)C(NCCc1c[nH]c2ccccc12)(NC(=O)c3ccccc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D05 compound treatment 0.265 0.016 0.6 0.261 0.0214 0.98 1.115 0.9716 3211626 TimTec1_005703 CCC1(C)OC(=Nc2ccccc21)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D06 compound treatment 0.299 0.05 1.86 0.286 0.0464 2.13 2.8186 0.9978 1384761 TimTec1_005704 Oc1ccc(NC2=C(C(=O)c3ccccc3C2=O)n4nnc5ccccc45)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D07 compound treatment 0.377 0.128 4.76 0.339 0.0994 4.55 6.586 0.9997 1725838 TimTec1_005705 CSc1ccc(cc1)C2C3=C(CCCC3=O)Nc4ccc5ccccc5c24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D08 compound treatment 0.263 0.014 0.52 0.257 0.0174 0.8 0.9329 0.9789 1630880 TimTec1_005706 Cn1c(nn(C2CC(=O)C3OCC2O3)c1=S)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D09 compound treatment 0.284 0.035 1.3 0.269 0.0294 1.35 1.8737 0.9999 1339859 TimTec1_005707 COc1cc2ccccc2cc1C(=O)NCCC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D10 compound treatment 0.256 0.00703 0.26 0.25 0.0104 0.48 0.5221 0.96 1488964 TimTec1_005708 CC(C)(C)c1ccc(cc1)C23OC(=O)C(C)(C)C3OC(=O)C2(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D11 compound treatment 0.255 0.00603 0.22 0.25 0.0104 0.48 0.4958 0.9409 1458934 TimTec1_005709 C1CN(CCN1)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D12 compound treatment 0.32 0.071 2.64 0.316 0.0764 3.5 4.3422 0.9904 3211627 TimTec1_005710 O=C/1NC(=S)N\C1=C\c2cc3ccccc3nc2N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D13 compound treatment 0.279 0.03 1.12 0.253 0.0134 0.61 1.2242 0.9603 1617853 TimTec1_005711 Cc1cccc(C)c1NC(=O)C2(CCCC2)N(Cc3ccccc3)C(=O)c4ccc(cc4)n5cnnn5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D14 compound treatment 0.254 0.00503 0.19 0.251 0.0114 0.52 0.5019 0.9041 1422235 TimTec1_005712 Brc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D15 compound treatment 0.301 0.052 1.94 0.296 0.0564 2.58 3.195 0.9899 3211628 TimTec1_005713 CCN(CC)c1ccc(cc1)C2(NN(C(=C2C#N)N)c3ccccc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D16 compound treatment 0.37 0.121 4.5 0.351 0.111 5.1 6.7904 0.9981 3085673 TimTec1_005714 C/C(=N\c1ccccc1)/C2=C(O)C=C(CC2c3ccco3)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D17 compound treatment 0.262 0.013 0.48 0.261 0.0214 0.98 1.0361 0.9473 3211629 TimTec1_005715 Fc1ccc(CCN2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)/C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D18 compound treatment 0.28 0.031 1.15 0.279 0.0394 1.8 2.0923 0.9767 1524909 TimTec1_005716 COc1ccccc1c2nnc(o2)c3ccccc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D19 compound treatment 0.265 0.016 0.6 0.262 0.0224 1.03 1.1473 0.9666 3211630 TimTec1_005717 COc1cccc(c1)c2cc(nc(SC3CC(=O)C4OCC3O4)n2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D20 compound treatment 0.243 -0.00597 -0.22 0.24 4.14E-4 0.02 -0.1436 -0.6444 3085676 TimTec1_005718 FC(F)(F)c1cccc(c1)N2C(=O)CC(Cc3ccccc3)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D21 compound treatment 0.618 0.369 13.73 0.673 0.433 19.84 23.7382 0.9838 3211631 TimTec1_005719 CC1(C)OC(=O)C(=Cc2cccn2c3ccc(cc3)S(=O)(=O)N)C(=O)O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D22 compound treatment 0.249 3.23E-5 0.0 0.247 0.00741 0.34 0.2409 0.7096 3085679 TimTec1_005720 Cc1cccc2nc(=S)n(C(=O)c3ccc(F)cc3)n12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D23 mock treatment 0.251 0.00203 0.08 0.248 0.00841 0.39 0.3259 0.83 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 D24 mock treatment 0.24 -0.00897 -0.33 0.23 -0.00959 -0.44 -0.5462 -0.9908 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E01 compound treatment 0.243 -0.00597 -0.22 0.211 -0.0286 -1.31 -1.0825 -0.8154 3211632 TimTec1_005721 Cc1cc(F)c(F)c(C(=O)n2ccnc2)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E02 compound treatment 0.262 0.013 0.48 0.248 0.00841 0.39 0.6152 0.9935 1584802 TimTec1_005722 O=C(CSc1ccccc1)Nc2c(oc3ccccc23)C(=O)C4CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E03 compound treatment 0.271 0.022 0.82 0.263 0.0234 1.07 1.3375 0.9912 3211633 TimTec1_005723 COCc1cc(C)nc2sc(C(=O)OC)c(N)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E04 compound treatment 0.334 0.085 3.16 0.321 0.0814 3.73 4.8723 0.9967 3211634 TimTec1_005724 CC(C)COC(=O)C1=C(C)Nc2cc(ccc2S1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E05 compound treatment 0.269 0.02 0.75 0.262 0.0224 1.03 1.2525 0.9876 3085682 TimTec1_005725 Fc1ccc(COc2ccccc2/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E06 compound treatment 0.336 0.087 3.24 0.315 0.0754 3.45 4.7306 0.9995 3211635 TimTec1_005726 CN(C)c1ccc(/C=C\2/Oc3c(ccc(O)c3O)C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E07 compound treatment 0.286 0.037 1.38 0.265 0.0254 1.16 1.7968 0.9965 3211636 TimTec1_005727 CCn/1c(cs\c1=N\c2cc(OC)c(Cl)cc2OC)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E08 compound treatment 0.273 0.024 0.89 0.266 0.0264 1.21 1.4873 0.9889 1668810 TimTec1_005728 N=C1OC23CCCCC3C(C#N)(C#N)C1(C#N)C(Cc4ccccc4)O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E09 compound treatment 0.26 0.011 0.41 0.253 0.0134 0.61 0.7244 0.9808 1468867 TimTec1_005729 NS(=O)(=O)c1ccc(N=NN2CCCCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E10 compound treatment 0.278 0.029 1.08 0.266 0.0264 1.21 1.6188 0.9984 1221615 TimTec1_005730 CCc1ccc2cc(cn2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E11 compound treatment 0.255 0.00603 0.22 0.255 0.0154 0.71 0.6577 0.8881 3211637 TimTec1_005731 CC1SC(N(C1=O)c2ccccc2)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E12 compound treatment 0.266 0.017 0.63 0.261 0.0214 0.98 1.1413 0.9777 1203111 TimTec1_005732 Cc1cc(C(=O)O)c(C#N)c(N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E13 compound treatment 0.282 0.033 1.23 0.264 0.0244 1.12 1.6592 0.9989 3211638 TimTec1_005733 NC(=NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E14 compound treatment 0.261 0.012 0.45 0.255 0.0154 0.71 0.8155 0.9758 3085709 TimTec1_005734 Cc1nc2ccccc2c(=O)n1c3ccc4OC(F)(F)Oc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E15 compound treatment 0.259 0.01 0.37 0.254 0.0144 0.66 0.7305 0.9636 3085711 TimTec1_005735 C/C(=C/C(=O)C1CC1)/C2CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E16 compound treatment 0.277 0.028 1.04 0.279 0.0394 1.8 2.0133 0.966 1198283 TimTec1_005736 CC(C(=O)Nc1ccc2OCCOc2c1)n3nnc(n3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E17 compound treatment 0.271 0.022 0.82 0.272 0.0324 1.48 1.6289 0.9608 1200453 TimTec1_005737 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc4OCOc4c3)C(=O)Nc5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E18 compound treatment 0.27 0.021 0.78 0.265 0.0254 1.16 1.376 0.9813 1488913 TimTec1_005738 CCCc1cc(O)nc(SCC(=O)N2c3ccccc3Sc4ccccc24)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E19 compound treatment 0.248 -9.68E-4 -0.04 0.248 0.00841 0.39 0.247 0.6383 1378082 TimTec1_005739 CCOC(=O)C1(CCN(CC1)C(=O)c2ccccc2O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E20 compound treatment 0.272 0.023 0.86 0.269 0.0294 1.35 1.5581 0.9761 1283200 TimTec1_005740 CC(C)N1C2OC(OC2N(C(C)C)S1(=O)=O)C3OC4C(O3)N(C(C)C)S(=O)(=O)N4C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E21 compound treatment 0.254 0.00503 0.19 0.256 0.0164 0.75 0.6638 0.857 1315806 TimTec1_005741 CC(=O)Oc1ccc(C)cc1n2nc3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E22 compound treatment 0.269 0.02 0.75 0.265 0.0254 1.16 1.3497 0.9768 3085715 TimTec1_005742 COc1ccccc1N/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E23 mock treatment 0.251 0.00203 0.08 0.252 0.0124 0.57 0.4554 0.7942 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 E24 mock treatment 0.251 0.00203 0.08 0.236 -0.00359 -0.16 -0.0627 -0.3466 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F01 compound treatment 0.247 -0.00197 -0.07 0.239 -5.86E-4 -0.03 -0.0707 -0.9073 1415787 TimTec1_005743 O=C(Cn1nnc(n1)c2ccc3OCOc3c2)N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F02 compound treatment 0.269 0.02 0.75 0.259 0.0194 0.89 1.1554 0.9961 1291024 TimTec1_005744 Cc1[nH]c2ccccc2c1CCNC(=O)c3cc4cc(Br)ccc4oc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F03 compound treatment 0.309 0.06 2.23 0.299 0.0594 2.72 3.5025 0.9952 3085718 TimTec1_005745 FC(F)(F)c1nnc(S)n1/N=C/c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F04 compound treatment 0.253 0.00403 0.15 0.253 0.0134 0.61 0.5403 0.8547 1647381 TimTec1_005746 CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)NCc3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F05 compound treatment 0.269 0.02 0.75 0.26 0.0204 0.93 1.1878 0.9937 1416263 TimTec1_005747 Cc1c(NC(=O)C2CCCC2)c(=O)n(c3ccccc3)n1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F06 compound treatment 0.292 0.043 1.6 0.281 0.0414 1.9 2.4726 0.9964 3211747 TimTec1_005748 Cc1cc(S)c2n(Cc3ccc(Cl)cc3Cl)nc[n+]2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F07 compound treatment 0.269 0.02 0.75 0.26 0.0204 0.93 1.1878 0.9937 1581088 TimTec1_005749 Fc1cccc(Cl)c1C2N3CCCCN23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F08 compound treatment 0.276 0.027 1.01 0.267 0.0274 1.26 1.5985 0.994 1406168 TimTec1_005750 COC(=O)c1ccc(CSc2nnc3c4ccccc4n(C)c3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F09 compound treatment 0.255 0.00603 0.22 0.258 0.0184 0.84 0.7548 0.8652 3211748 TimTec1_005751 Cc1cc(C)c(c(C)c1)n2nnnc2SCC(=O)Nc3nn(nc3C(=O)N)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F10 compound treatment 0.267 0.018 0.67 0.261 0.0214 0.98 1.1676 0.9829 3087784 TimTec1_005752 CC1(NC(C2C1C(=O)N(C2=O)c3ccccc3)c4cc(Br)ccc4O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F11 compound treatment 0.263 0.014 0.52 0.262 0.0224 1.03 1.0947 0.9508 3211749 TimTec1_005753 N#CCC1(CC2CC3CC(C2)C1)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F12 compound treatment 0.311 0.062 2.31 0.307 0.0674 3.09 3.8141 0.9897 1605647 TimTec1_005754 COc1ccc(cc1OC)C2C(Oc3ccc(Cl)cc3C)C(=O)N2c4ccc(C)c(C)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F13 compound treatment 0.273 0.024 0.89 0.263 0.0234 1.07 1.3901 0.9959 3087785 TimTec1_005755 C[S+](C)c1c(O)n(c2ccccc2F)c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F14 compound treatment 0.265 0.016 0.6 0.262 0.0224 1.03 1.1473 0.9666 1201797 TimTec1_005756 Fc1cc(Cl)c(cc1F)C(=O)NC2C3CC4CC(C3)CC2C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F15 compound treatment 0.265 0.016 0.6 0.263 0.0234 1.07 1.1797 0.9617 1326307 TimTec1_005757 CC(Sc1nc(N)cc(N)n1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F16 compound treatment 0.264 0.015 0.56 0.262 0.0224 1.03 1.121 0.9592 1664927 TimTec1_005758 C=CCn1c2ccccc2c3nnc(SCc4ccc5nonc5c4)nc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F17 compound treatment 0.27 0.021 0.78 0.272 0.0324 1.48 1.6026 0.9552 3087786 TimTec1_005759 CC(Nc1nc(F)cc(=O)[nH]1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F18 compound treatment 0.276 0.027 1.01 0.279 0.0394 1.8 1.987 0.9619 3211750 TimTec1_005760 CCOC(=O)/C=C/1\NC(C)(C)Cc2cc(OC)c(O)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F19 compound treatment 0.263 0.014 0.52 0.258 0.0184 0.84 0.9652 0.9734 3211751 TimTec1_005761 O=C(CSc1nnnn1c2ccccc2)NCCC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F20 compound treatment 0.256 0.00703 0.26 0.255 0.0154 0.71 0.684 0.9088 3087787 TimTec1_005762 CC1SC2(CCCCC2)N(C1=O)c3cc(C)cc(C)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F21 compound treatment 0.259 0.01 0.37 0.257 0.0174 0.8 0.8277 0.9402 3211752 TimTec1_005763 CC(=O)NC(NCCC1(CC2CC3CC(C2)C1)C3)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F22 compound treatment 0.316 0.067 2.49 0.312 0.0724 3.32 4.1075 0.9901 1523330 TimTec1_005764 O=C(Oc1ccc(cc1)N(C(=O)c2ccccc2)S(=O)(=O)c3cccs3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F23 mock treatment 0.261 0.012 0.45 0.253 0.0134 0.61 0.7507 0.9879 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 F24 mock treatment 0.251 0.00203 0.08 0.243 0.00341 0.16 0.164 0.9444 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G01 compound treatment 0.245 -0.00397 -0.15 0.236 -0.00359 -0.16 -0.2205 -0.9986 3087788 TimTec1_005765 Fc1ccccc1c2nnc3ccc(cn23)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G02 compound treatment 0.255 0.00603 0.22 0.252 0.0124 0.57 0.5606 0.9173 3211753 TimTec1_005766 CN1C(=O)N(C)C2(N=C3SCC(=O)N3NC12c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G03 compound treatment 0.257 0.00803 0.3 0.251 0.0114 0.52 0.5808 0.9648 1444799 TimTec1_005767 OC1=C(C(N(C1=O)c2cccnc2)c3ccccc3)C(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G04 compound treatment 0.265 0.016 0.6 0.253 0.0134 0.61 0.856 0.9999 1457617 TimTec1_005768 O=C(N1N=CCC1c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G05 compound treatment 0.276 0.027 1.01 0.272 0.0324 1.48 1.7604 0.982 1406350 TimTec1_005769 Clc1ccccc1C(=O)Nc2ccc3nc(SCC(=O)N4CCc5ccccc45)sc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G06 compound treatment 0.258 0.00903 0.34 0.258 0.0184 0.84 0.8337 0.9186 1302719 TimTec1_005770 COC(=O)c1ccccc1NCNc2ccccc2C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G07 compound treatment 0.26 0.011 0.41 0.257 0.0174 0.8 0.854 0.9523 1261268 TimTec1_005771 CCCC(=C1C(=O)NC(=O)NC1=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G08 compound treatment 0.324 0.075 2.79 0.312 0.0724 3.32 4.3179 0.9963 1028239 TimTec1_005772 S=c1sscc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G09 compound treatment 0.251 0.00203 0.08 0.255 0.0154 0.71 0.5525 0.7784 3211754 TimTec1_005773 CCOC(=O)Cc1nc(C)cs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G10 compound treatment 0.259 0.01 0.37 0.258 0.0184 0.84 0.86 0.9328 1366551 TimTec1_005774 CCC1C(OC(=O)C(C)(C)C1=O)c2cccc(Br)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G11 compound treatment 0.255 0.00603 0.22 0.251 0.0114 0.52 0.5282 0.9287 3087789 TimTec1_005775 CC(=O)OC(C)(C)C#CCN1CCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G12 compound treatment 0.339 0.09 3.35 0.325 0.0854 3.91 5.1333 0.997 3211755 TimTec1_005776 O=C/1Nc2ccccc2\C1=C/3\NC(=S)N(C3=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G13 compound treatment 0.266 0.017 0.63 0.257 0.0174 0.8 1.0118 0.9935 3087790 TimTec1_005777 CCOC1=NOC2C3CCC(C3)C21 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G14 compound treatment 0.258 0.00903 0.34 0.255 0.0154 0.71 0.7366 0.9424 3211756 TimTec1_005778 COc1ccc(cc1)C2OCC(C)(CO2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G15 compound treatment 0.26 0.011 0.41 0.252 0.0124 0.57 0.6921 0.9872 3087791 TimTec1_005779 Nc1ccc(OC(F)(F)F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G16 compound treatment 0.258 0.00903 0.34 0.261 0.0214 0.98 0.9309 0.8981 1233416 TimTec1_005780 C(Sc1nnnn1c2ccc3OCOc3c2)C4CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G17 compound treatment 0.27 0.021 0.78 0.262 0.0224 1.03 1.2788 0.991 1922264 TimTec1_005781 CC1(C)COC(O)(CC1=O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G18 compound treatment 0.301 0.052 1.94 0.29 0.0504 2.31 3.0007 0.9962 1589793 TimTec1_005782 CCc1ccc(cc1)C2Nc3ccccc3C(=O)N2c4ccc(cc4)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G19 compound treatment 0.255 0.00603 0.22 0.253 0.0134 0.61 0.5929 0.9068 3087792 TimTec1_005783 CSC1=NC2C(N1)N(C)C(=O)N2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G20 compound treatment 0.27 0.021 0.78 0.267 0.0274 1.26 1.4407 0.9741 1362774 TimTec1_005784 N=C1OC23CCCCC3C(C#N)(C#N)C1(C#N)C(O2)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G21 compound treatment 0.254 0.00503 0.19 0.251 0.0114 0.52 0.5019 0.9041 3087793 TimTec1_005785 O=C(Oc1ccc(cc1)c2cnc3ccccc3n2)/C=C/c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G22 compound treatment 0.252 0.00303 0.11 0.249 0.00941 0.43 0.3845 0.8631 1511555 TimTec1_005786 Clc1ccc2oc(=O)n(C(=O)NC3CCCCC3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G23 mock treatment 0.254 0.00503 0.19 0.251 0.0114 0.52 0.5019 0.9041 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 G24 mock treatment 0.266 0.017 0.63 0.236 -0.00359 -0.16 0.3319 0.5071 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H01 compound treatment 0.249 3.23E-5 0.0 0.237 -0.00259 -0.12 -0.0829 -0.6999 1788039 TimTec1_005787 Fc1ccccc1c2nnn(CC(=O)N3CCCCC3)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H02 compound treatment 0.252 0.00303 0.11 0.253 0.0134 0.61 0.514 0.8232 1578958 TimTec1_005788 COc1ccc(Cl)cc1S(=O)(=O)N2CCN(CC2)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H03 compound treatment 0.261 0.012 0.45 0.256 0.0164 0.75 0.8479 0.9693 3087794 TimTec1_005789 COc1cc2CC(C)(C)N=C(NC(C)C(=O)O)c2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H04 compound treatment 0.264 0.015 0.56 0.257 0.0174 0.8 0.9592 0.9849 3087795 TimTec1_005790 NCCN1C(=O)S/C(=C/c2cccs2)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H05 compound treatment 0.256 0.00703 0.26 0.254 0.0144 0.66 0.6516 0.9179 1701075 TimTec1_005791 CCn1c(=N)n(CC(=O)c2cccs2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H06 compound treatment 0.257 0.00803 0.3 0.252 0.0124 0.57 0.6132 0.9549 1332043 TimTec1_005792 COC(=O)NC1CSCC1OC(=O)CCCN2C(=O)c3ccccc3C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H07 compound treatment 0.266 0.017 0.63 0.26 0.0204 0.93 1.1089 0.9821 3087798 TimTec1_005793 COc1nsc(SC)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H08 compound treatment 0.268 0.019 0.71 0.268 0.0284 1.3 1.4205 0.9591 1015156 TimTec1_005794 COc1ccc(Cl)cc1NN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H09 compound treatment 0.258 0.00903 0.34 0.253 0.0134 0.61 0.6718 0.9597 1397048 TimTec1_005795 COc1cc2ccccc2cc1C(=O)NC(C)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H10 compound treatment 0.259 0.01 0.37 0.258 0.0184 0.84 0.86 0.9328 3087801 TimTec1_005796 CC1(C)CC(=O)C2=C(C1)N(C(=C(C#N)C2c3ccsc3)N)c4c(F)cccc4F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H11 compound treatment 0.283 0.034 1.27 0.267 0.0274 1.26 1.7826 1.0 1338227 TimTec1_005797 COc1ccc(NC(=O)c2cnn(c2NC(=O)c3ccccc3F)c4ccccc4)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H12 compound treatment 0.284 0.035 1.3 0.285 0.0454 2.08 2.3917 0.9747 1493728 TimTec1_005798 C1Oc2ccc(cc2O1)c3cc4ccccn4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H13 compound treatment 0.284 0.035 1.3 0.273 0.0334 1.53 2.0032 0.9968 1440128 TimTec1_005799 COc1cc(NC(=O)NC2(CC2)c3ccccc3)c(OC)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H14 compound treatment 0.252 0.00303 0.11 0.248 0.00841 0.39 0.3522 0.8773 1272978 TimTec1_005800 Cc1cc(NS(=O)(=O)c2ccccc2)cc(c1O)S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H15 compound treatment 0.29 0.041 1.53 0.284 0.0444 2.03 2.5171 0.99 3211757 TimTec1_005801 Cc1cc(Cl)nc(NN)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H16 compound treatment 0.259 0.01 0.37 0.257 0.0174 0.8 0.8277 0.9402 1520603 TimTec1_005802 Cn1c2ccc(Br)cc2c3nnc(SCc4ccc5nonc5c4)nc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H17 compound treatment 0.267 0.018 0.67 0.259 0.0194 0.89 1.1028 0.9904 1486800 TimTec1_005803 CN(C)CP(=O)(O)CCn1c2ccccc2c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H18 compound treatment 0.259 0.01 0.37 0.262 0.0224 1.03 0.9895 0.9062 1194716 TimTec1_005804 OC(=O)C1Sc2c(sc(=O)n2Cc3ccccc3)C4C1C(=O)Oc5ccccc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H19 compound treatment 0.263 0.014 0.52 0.259 0.0194 0.89 0.9976 0.9678 1203354 TimTec1_005805 Nc1nnc(CCCn2c(=O)oc3ccccc23)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H20 compound treatment 0.292 0.043 1.6 0.29 0.0504 2.31 2.764 0.984 3087859 TimTec1_005806 CC/N=C\1/S/C(=C/c2ccc(o2)c3ccc(F)cc3)/C(=O)N1CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H21 compound treatment 0.255 0.00603 0.22 0.256 0.0164 0.75 0.6901 0.8798 1544104 TimTec1_005807 CN(C)c1ccc(cc1)C2OC(=O)C(C)(C)C(=O)C2(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H22 compound treatment 0.265 0.016 0.6 0.258 0.0184 0.84 1.0178 0.9856 3211853 TimTec1_005808 CCCn1c2ccccc2c3nnc(SCC(=O)NCc4ccc5OCOc5c4)nc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H23 mock treatment 0.254 0.00503 0.19 0.254 0.0144 0.66 0.599 0.8732 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 H24 mock treatment 0.259 0.01 0.37 0.241 0.00141 0.06 0.3096 0.8176 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I01 compound treatment 0.257 0.00803 0.3 0.257 0.0174 0.8 0.7751 0.9103 1315061 TimTec1_005809 CCOC1(C)N(Nc2ccccc2C(=O)CC)c3ccccc3C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I02 compound treatment 0.274 0.025 0.93 0.251 0.0114 0.52 1.0279 0.9627 1011005 TimTec1_005810 OC(=O)CSc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I03 compound treatment 0.277 0.028 1.04 0.254 0.0144 0.66 1.2039 0.9757 3211854 TimTec1_005811 CC1(C)OC(=O)N(Nc2ccccc2)C1(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I04 compound treatment 0.275 0.026 0.97 0.265 0.0254 1.16 1.5075 0.9958 3087863 TimTec1_005812 Cc1c(Cl)cccc1NN 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I05 compound treatment 0.26 0.011 0.41 0.259 0.0194 0.89 0.9187 0.9384 1462704 TimTec1_005813 CC(C)(C)NC(=O)CSc1nc2ccc(cc2s1)N3C(=O)c4ccccc4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I06 compound treatment 0.265 0.016 0.6 0.261 0.0214 0.98 1.115 0.9716 1663326 TimTec1_005814 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)Nc3ccccc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I07 compound treatment 0.285 0.036 1.34 0.274 0.0344 1.58 2.0619 0.9968 3211855 TimTec1_005815 C1C/C(=C\c2nc3ccccc3[nH]2)/C(=C1)N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I08 compound treatment 0.273 0.024 0.89 0.26 0.0204 0.93 1.293 0.9998 1375813 TimTec1_005816 CN(C)c1ccc(cc1)C2N(Cc3ccccc3)C(=O)C(=C2C(=O)c4ccc(Cl)cc4)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I09 compound treatment 0.302 0.053 1.97 0.29 0.0504 2.31 3.027 0.9969 3087867 TimTec1_005817 COC(=O)c1c(CSC(=N)N)nc2n(Cc3ccccc3)c4ccccc4n12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I10 compound treatment 0.274 0.025 0.93 0.263 0.0234 1.07 1.4164 0.9975 3211856 TimTec1_005818 CC1=C(OC(=O)c2ccccc2)C(C)(C)C(OC1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I11 compound treatment 0.261 0.012 0.45 0.257 0.0174 0.8 0.8803 0.9627 3087868 TimTec1_005819 COC(=O)c1ccc(/N=C/2\SC(CC(=O)N2C)C(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I12 compound treatment 0.284 0.035 1.3 0.278 0.0384 1.76 2.1651 0.9891 3211857 TimTec1_005820 COc1ccc(/C=N/c2nnc(c3ccccc3)c(n2)c4ccccc4)c(C(=O)O)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I13 compound treatment 0.273 0.024 0.89 0.274 0.0344 1.58 1.7463 0.9639 3087871 TimTec1_005821 CC1CN(CN2C(=O)/C(=N\c3ccc4ccccc4c3)/c5ccccc25)CC(C)O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I14 compound treatment 0.264 0.015 0.56 0.261 0.0214 0.98 1.0887 0.9645 1190190 TimTec1_005822 CC(=O)OC1c2ccccc2NC(c3ccccc3)C1(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I15 compound treatment 0.28 0.031 1.15 0.285 0.0454 2.08 2.2865 0.9614 1442650 TimTec1_005823 COC(=O)C1=C(C)NC(=C(C#N)C1c2cccs2)SCC(=O)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I16 compound treatment 0.292 0.043 1.6 0.286 0.0464 2.13 2.6345 0.9902 3087873 TimTec1_005824 SC1=C(C#N)C2(CCCCC2)C(C(=N)N1)c3nc(cs3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I17 compound treatment 0.275 0.026 0.97 0.266 0.0264 1.21 1.5399 0.9939 1201213 TimTec1_005825 OC(=O)c1ccc(N=NN2CCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I18 compound treatment 0.297 0.048 1.79 0.29 0.0504 2.31 2.8955 0.992 3211858 TimTec1_005826 CSc1ccc(cc1)S(=O)(=O)Nc2ccc(N3CCOCC3)c(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I19 compound treatment 0.261 0.012 0.45 0.265 0.0254 1.16 1.1393 0.9138 1656330 TimTec1_005827 CC(C)(CN1CCN(CC1)C(c2ccccc2)c3ccccc3)NS(=O)(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I20 compound treatment 0.281 0.032 1.19 0.278 0.0384 1.76 2.0862 0.982 1594685 TimTec1_005828 CC1C(C#N)(C#N)C2(C#N)C(OC1(C)OC2=N)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I21 compound treatment 0.267 0.018 0.67 0.261 0.0214 0.98 1.1676 0.9829 3211859 TimTec1_005829 O=C/1N(CN2CCN(CC2)c3ccccc3)c4ccccc4\C1=N\c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I22 compound treatment 0.328 0.079 2.94 0.314 0.0744 3.41 4.4879 0.9973 1426903 TimTec1_005830 Nc1c(C#N)c(c(C#N)c2nc3ccccc3n12)c4cccc(O)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I23 mock treatment 0.26 0.011 0.41 0.252 0.0124 0.57 0.6921 0.9872 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 I24 mock treatment 0.253 0.00403 0.15 0.241 0.00141 0.06 0.1518 0.9294 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J01 compound treatment 0.244 -0.00497 -0.18 0.225 -0.0146 -0.67 -0.6029 -0.8701 1380440 TimTec1_005831 CC(C)(CO)NC1(CC2CC3CC(C2)C1)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J02 compound treatment 0.25 0.00103 0.04 0.251 0.0114 0.52 0.3967 0.757 1328534 TimTec1_005832 Clc1ccc(Cl)c(c1)S(=O)(=O)NCCC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J03 compound treatment 0.245 -0.00397 -0.15 0.248 0.00841 0.39 0.1681 0.4074 3211860 TimTec1_005833 FC(F)(F)C1=CC(=NCCN1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J04 compound treatment 0.256 0.00703 0.26 0.252 0.0124 0.57 0.5869 0.938 1159735 TimTec1_005834 CN(C)P1(=O)Nc2ccccc2S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J05 compound treatment 0.258 0.00903 0.34 0.256 0.0164 0.75 0.769 0.9341 1421447 TimTec1_005835 CC(C)(O)C1(C)NCCc2ccccc21 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J06 compound treatment 0.3 0.051 1.9 0.293 0.0534 2.45 3.0715 0.9921 1178221 TimTec1_005836 CC1CC2(CC(C)(C)C1)NN(C(=S)N2)c3ccc(C)c(C)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J07 compound treatment 0.256 0.00703 0.26 0.251 0.0114 0.52 0.5545 0.9488 1709992 TimTec1_005837 CC1(C)CC(CC(C)(C)N1)NCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J08 compound treatment 0.263 0.014 0.52 0.256 0.0164 0.75 0.9005 0.9841 1603180 TimTec1_005838 O=C(NC1CCCCC1)C2CC(=O)OC32CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J09 compound treatment 0.26 0.011 0.41 0.248 0.00841 0.39 0.5626 0.9995 1526847 TimTec1_005839 Cc1ccc2c3C(C4=C(CCCC4=O)Nc3ccc2n1)c5ccccc5C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J10 compound treatment 0.285 0.036 1.34 0.28 0.0404 1.85 2.2561 0.9875 3211861 TimTec1_005840 CCc1nc2sc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N)c2cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J11 compound treatment 0.249 3.23E-5 0.0 0.251 0.0114 0.52 0.3704 0.7087 1564041 TimTec1_005841 CCN(C(=O)Cn1nnc(n1)c2ccc3OCOc3c2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J12 compound treatment 0.259 0.01 0.37 0.254 0.0144 0.66 0.7305 0.9636 3087925 TimTec1_005842 FC(F)(F)c1nnc2SCC(=Nn12)c3ccc(Cl)cc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J13 compound treatment 0.258 0.00903 0.34 0.261 0.0214 0.98 0.9309 0.8981 3211862 TimTec1_005843 CCN1C(=O)C2NN=C(C2C1=O)C(=O)c3nc(Cl)ccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J14 compound treatment 0.304 0.055 2.05 0.31 0.0704 3.22 3.7271 0.976 1209557 TimTec1_005844 COc1ccc(cc1)C(=O)Nc2cc(C)c(O)c(c2C)S(=O)(=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J15 compound treatment 0.35 0.101 3.76 0.335 0.0954 4.37 5.7464 0.9972 3211863 TimTec1_005845 Sc1nc(SCCOc2ccccc2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J16 compound treatment 0.331 0.082 3.05 0.334 0.0944 4.32 5.2143 0.9855 3087928 TimTec1_005846 CC(C)(C)C(=O)/C=C/1\NCCN\C1=C/C(=O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J17 compound treatment 0.264 0.015 0.56 0.262 0.0224 1.03 1.121 0.9592 1272266 TimTec1_005847 OC(=O)C(Cc1ccco1)P(=O)(O)CN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J18 compound treatment 0.293 0.044 1.64 0.291 0.0514 2.35 2.8227 0.9843 1688384 TimTec1_005848 O=C(Nc1ccccc1)c2cccc(c2)S(=O)(=O)NCC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J19 compound treatment 0.262 0.013 0.48 0.255 0.0154 0.71 0.8418 0.9832 1696945 TimTec1_005849 COc1cccc(c1)C(=O)Nc2cccc(C)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J20 compound treatment 0.276 0.027 1.01 0.267 0.0274 1.26 1.5985 0.994 3087931 TimTec1_005850 Cc1cccn2cc(cc12)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J21 compound treatment 0.255 0.00603 0.22 0.252 0.0124 0.57 0.5606 0.9173 1142933 TimTec1_005851 Cc1ccc(cc1)C(=O)C2OC(=O)C(C)(C)C(=O)C2(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J22 compound treatment 0.254 0.00503 0.19 0.247 0.00741 0.34 0.3724 0.9606 3211864 TimTec1_005852 COc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccc(OC(F)(F)F)cc34)c(=O)oc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J23 mock treatment 0.249 3.23E-5 0.0 0.248 0.00841 0.39 0.2733 0.7093 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 J24 mock treatment 0.245 -0.00397 -0.15 0.241 0.00141 0.06 -0.0586 -0.3635 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K01 compound treatment 0.294 0.045 1.67 0.287 0.0474 2.17 2.7195 0.9918 1683560 TimTec1_005853 CCn1c(nc2ccccc12)C(O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K02 compound treatment 0.26 0.011 0.41 0.246 0.00641 0.29 0.4978 0.9865 3088026 TimTec1_005854 O=C1CSC2=NCN(CN12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K03 compound treatment 0.251 0.00203 0.08 0.256 0.0164 0.75 0.5849 0.7743 3087964 TimTec1_005855 CCOC(=O)C1=C(C)NC(=NC1c2ccc(OC(=O)C)c(OC)c2)SC(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K04 compound treatment 0.262 0.013 0.48 0.256 0.0164 0.75 0.8742 0.9775 3087966 TimTec1_005856 CC(=O)NCCOc1cccc2cccnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K05 compound treatment 0.259 0.01 0.37 0.266 0.0264 1.21 1.119 0.8841 1264565 TimTec1_005857 Cn1c(SCc2ccc(F)c3ccccc23)nc4ccccc4c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K06 compound treatment 0.265 0.016 0.6 0.261 0.0214 0.98 1.115 0.9716 3211865 TimTec1_005858 Clc1ccc(/N=C/2\C(=O)N(CN3CCc4ccccc4C3)c5ccccc25)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K07 compound treatment 0.251 0.00203 0.08 0.258 0.0184 0.84 0.6496 0.7674 1638757 TimTec1_005859 CCN(CC)P1(=O)COc2ccccc2OC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K08 compound treatment 0.255 0.00603 0.22 0.254 0.0144 0.66 0.6253 0.8971 3211945 TimTec1_005860 CCC1CCC2(CC1)SCC(=O)N2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K09 compound treatment 0.257 0.00803 0.3 0.256 0.0164 0.75 0.7427 0.9183 1385466 TimTec1_005861 COc1ccc(cc1)N(C)C(=O)C2COc3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K10 compound treatment 0.25 0.00103 0.04 0.248 0.00841 0.39 0.2996 0.7737 1301245 TimTec1_005862 Cc1ccc(NS(=O)(=O)c2c(C)ccc3nsnc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K11 compound treatment 0.347 0.098 3.65 0.33 0.0904 4.14 5.5056 0.998 3087971 TimTec1_005863 CN(C)/C=N\c1ccc2nonc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K12 compound treatment 0.266 0.017 0.63 0.266 0.0264 1.21 1.3031 0.9545 1432844 TimTec1_005864 CCOC(=O)c1c(CN2CCCC2)n(C)c3cc(Br)c(OC)cc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K13 compound treatment 0.255 0.00603 0.22 0.261 0.0214 0.98 0.852 0.847 3211946 TimTec1_005865 CSC1=NC2(CC(Oc3cc(O)ccc32)c4ccccc4)CC(C)(C)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K14 compound treatment 0.261 0.012 0.45 0.257 0.0174 0.8 0.8803 0.9627 3087973 TimTec1_005866 CC(=O)N1C(=O)/C(=C\c2cccnc2)/NC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K15 compound treatment 0.263 0.014 0.52 0.26 0.0204 0.93 1.03 0.9621 1685221 TimTec1_005867 CCOC(=O)c1c(NC(=O)CSc2nccn2C)sc3CC(C)CCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K16 compound treatment 0.314 0.065 2.42 0.314 0.0744 3.41 4.1197 0.9859 3087975 TimTec1_005868 Oc1ccccc1c2cc(nn2Cc3ccc(Cl)cc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K17 compound treatment 0.268 0.019 0.71 0.264 0.0244 1.12 1.291 0.9757 1551420 TimTec1_005869 COC(=O)c1ccc(N=NN2CCCCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K18 compound treatment 0.26 0.011 0.41 0.256 0.0164 0.75 0.8216 0.9595 1545682 TimTec1_005870 COc1ccc(cc1)C2CC(=O)Oc3ccc(cc23)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K19 compound treatment 0.263 0.014 0.52 0.252 0.0124 0.57 0.771 0.9991 1253632 TimTec1_005871 O=C(N(Cc1ccccc1)c2ccccn2)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K20 compound treatment 0.266 0.017 0.63 0.264 0.0244 1.12 1.2384 0.9638 3211947 TimTec1_005872 COc1nc(OC)nc(n1)n2cnc(NC(=O)Nc3cccc(Cl)c3)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K21 compound treatment 0.275 0.026 0.97 0.271 0.0314 1.44 1.7017 0.9815 1118061 TimTec1_005873 Sc1nc2-c3ccccc3CC(C4CCCCC4)c2c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K22 compound treatment 0.255 0.00603 0.22 0.247 0.00741 0.34 0.3987 0.9798 3211948 TimTec1_005874 CCC(C#N)C1(CC2CC3CC(C2)C1)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K23 mock treatment 0.259 0.01 0.37 0.254 0.0144 0.66 0.7305 0.9636 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 K24 mock treatment 0.246 -0.00297 -0.11 0.245 0.00541 0.25 0.0972 0.3583 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L01 compound treatment 0.248 -9.68E-4 -0.04 0.245 0.00541 0.25 0.1498 0.5982 3087980 TimTec1_005875 COC(=O)c1ccc(cc1)C2OCC(C)(C)CO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L02 compound treatment 0.253 0.00403 0.15 0.25 0.0104 0.48 0.4432 0.8867 1135137 TimTec1_005876 CCOc1ccc(CCNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L03 compound treatment 0.259 0.01 0.37 0.252 0.0124 0.57 0.6658 0.9792 3211949 TimTec1_005877 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L04 compound treatment 0.266 0.017 0.63 0.258 0.0184 0.84 1.0441 0.9901 1515423 TimTec1_005878 CCOc1nc(Cl)nc(n1)N2CCCCC2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L05 compound treatment 0.257 0.00803 0.3 0.258 0.0184 0.84 0.8074 0.9027 3088028 TimTec1_005879 COc1ccc(cc1)C(=O)NC(N2CCCCC2c3cccnc3)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L06 compound treatment 0.266 0.017 0.63 0.258 0.0184 0.84 1.0441 0.9901 1732675 TimTec1_005880 CCOc1ccc(CC(=O)Nc2ccccc2)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L07 compound treatment 0.264 0.015 0.56 0.258 0.0184 0.84 0.9915 0.9801 1230635 TimTec1_005881 Cc1ccc2c3C(C4=C(CCCC4=O)Nc3ccc2n1)c5ccc(O)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L08 compound treatment 0.263 0.014 0.52 0.258 0.0184 0.84 0.9652 0.9734 1233176 TimTec1_005882 CCNC(=O)C1CC(=O)OC21CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L09 compound treatment 0.255 0.00603 0.22 0.252 0.0124 0.57 0.5606 0.9173 1157682 TimTec1_005883 COCc1cc(C)nc(SCC(=O)N2CCCCC2)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L10 compound treatment 0.259 0.01 0.37 0.261 0.0214 0.98 0.9572 0.9124 3088032 TimTec1_005884 CC(=O)ON1C(C)(C)C=C(C(=O)N)C1(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L11 compound treatment 0.248 -9.68E-4 -0.04 0.249 0.00941 0.43 0.2793 0.6458 3211950 TimTec1_005885 COc1ccccc1n2c(S)nnc2Cc3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L12 compound treatment 0.252 0.00303 0.11 0.247 0.00741 0.34 0.3198 0.894 1274328 TimTec1_005886 COc1ccccc1C2C3=C(CCCC3=O)Nc4ccc5ncccc5c24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L13 compound treatment 0.258 0.00903 0.34 0.257 0.0174 0.8 0.8014 0.9262 3211951 TimTec1_005887 COC(=O)C1=CN(CC2(CC3CC4CC(C3)C2)C4)C=C(C1c5ccc(F)cc5)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L14 compound treatment 0.297 0.048 1.79 0.283 0.0434 1.99 2.6689 0.9986 1513069 TimTec1_005888 CC(C)c1c(NC(=O)c2ccc(Cl)cc2)cc(C)c(O)c1S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L15 compound treatment 0.259 0.01 0.37 0.255 0.0154 0.71 0.7629 0.9556 1273520 TimTec1_005889 CCn1c(SCCn2c(=S)n(C)c3ccccc23)nc4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L16 compound treatment 0.258 0.00903 0.34 0.264 0.0244 1.12 1.028 0.8807 1715744 TimTec1_005890 C(N1CCCC1)c2cc3ccccc3c4COCc42 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L17 compound treatment 0.277 0.028 1.04 0.272 0.0324 1.48 1.7867 0.9851 1402014 TimTec1_005891 Cc1nc2cccc(C(=O)Oc3ccc(cc3)C(C)(C)C)c2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L18 compound treatment 0.28 0.031 1.15 0.281 0.0414 1.9 2.157 0.9717 1594146 TimTec1_005892 O=C(Nc1ccccc1)c2cccc(c2)S(=O)(=O)NCCC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L19 compound treatment 0.258 0.00903 0.34 0.251 0.0114 0.52 0.6071 0.9772 3088038 TimTec1_005893 CCc1nnc(NC(=O)CSc2nnc(c3cccs3)n2CC=C)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L20 compound treatment 0.335 0.086 3.2 0.336 0.0964 4.41 5.3843 0.9875 3211952 TimTec1_005894 CCN(CC)c1ccc(C=C2C(=O)OC(OC2=O)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L21 compound treatment 0.279 0.03 1.12 0.276 0.0364 1.67 1.9688 0.981 3088039 TimTec1_005895 OC(=O)/C(=C/C(=O)c1ccccc1)/Nc2ccc(OC(F)(F)F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L22 compound treatment 0.259 0.01 0.37 0.258 0.0184 0.84 0.86 0.9328 1788194 TimTec1_005896 CCOC(=O)c1c(C)c(NC(=O)C)c(C)n1C(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L23 mock treatment 0.256 0.00703 0.26 0.251 0.0114 0.52 0.5545 0.9488 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 L24 mock treatment 0.246 -0.00297 -0.11 0.23 -0.00959 -0.44 -0.3884 -0.8582 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M01 compound treatment 0.247 -0.00197 -0.07 0.244 0.00441 0.2 0.0911 0.4241 1430182 TimTec1_005897 Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)Nc3ccc(C)cc3)no1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M02 compound treatment 0.253 0.00403 0.15 0.24 4.14E-4 0.02 0.1194 0.7902 1516860 TimTec1_005898 CCN1C2OC3OC4C(OC3OC2N(CC)S1(=O)=O)N(CC)S(=O)(=O)N4CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M03 compound treatment 0.259 0.01 0.37 0.25 0.0104 0.48 0.601 0.9926 1315988 TimTec1_005899 Clc1ccccc1NCn2nc(c3ccccc3)n(CC=C)c2=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M04 compound treatment 0.255 0.00603 0.22 0.253 0.0134 0.61 0.5929 0.9068 3088042 TimTec1_005900 CCC(=O)NC(Nc1sc(C)c(CC)c1C#N)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M05 compound treatment 0.257 0.00803 0.3 0.257 0.0174 0.8 0.7751 0.9103 3211953 TimTec1_005901 CC(C)C1C(=C(N)Oc2n[nH]c(C)c12)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M06 compound treatment 0.267 0.018 0.67 0.263 0.0234 1.07 1.2323 0.9745 1171314 TimTec1_005902 COc1ccc(OC)c(CNc2ccc3n(C)c(C)nc3c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M07 compound treatment 0.26 0.011 0.41 0.248 0.00841 0.39 0.5626 0.9995 3088045 TimTec1_005903 CCOC(=O)C1=C(C)NC(=NC1c2ccccc2)SCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M08 compound treatment 0.266 0.017 0.63 0.266 0.0264 1.21 1.3031 0.9545 1705094 TimTec1_005904 OC(=O)Cc1c(Sc2ccccc2)c3ccccc3n1Cc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M09 compound treatment 0.266 0.017 0.63 0.263 0.0234 1.07 1.206 0.9685 3211954 TimTec1_005905 CN(C)c1ccc(/C=C/2\C(=O)N(N=C2C(=O)Nc3ccccc3)c4ccccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M10 compound treatment 0.285 0.036 1.34 0.273 0.0334 1.53 2.0295 0.9978 1621165 TimTec1_005906 O1c2ccccc2N=C(c3ccccc3)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M11 compound treatment 0.249 3.23E-5 0.0 0.246 0.00641 0.29 0.2085 0.71 1640716 TimTec1_005907 CCN(CC)C(=O)c1cn(nc1C2(CC3CC4CC(C3)C2)C4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M12 compound treatment 0.258 0.00903 0.34 0.256 0.0164 0.75 0.769 0.9341 3211955 TimTec1_005908 OC(=O)C1CC(=O)N(CCc2ccccc2)/C(=N/CCc3ccccc3)/S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M13 compound treatment 0.346 0.097 3.61 0.272 0.0324 1.48 3.6015 0.9229 3088114 TimTec1_005909 CCCN1C(=O)/C(=C/C=C\2/Sc3ccccc3N2CCO)/SC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M14 compound treatment 0.309 0.06 2.23 0.303 0.0634 2.9 3.632 0.9916 1416853 TimTec1_005910 CCCCC(=O)Nc1ccc(cc1)c2csc(n2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M15 compound treatment 0.257 0.00803 0.3 0.252 0.0124 0.57 0.6132 0.9549 3088116 TimTec1_005911 FC(F)(F)c1cccc(/N=C/2\C(=O)N(CN3CCc4ccccc4C3)c5ccccc25)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M16 compound treatment 0.254 0.00503 0.19 0.255 0.0154 0.71 0.6314 0.8647 1117685 TimTec1_005912 CN(C)c1ccc(cc1)C2OC(COc3ccccc3)CN(O2)C(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M17 compound treatment 0.256 0.00703 0.26 0.254 0.0144 0.66 0.6516 0.9179 1411622 TimTec1_005913 O=C(N(c1ccccc1)c2ccccc2)c3ccccc3C(=O)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M18 compound treatment 0.257 0.00803 0.3 0.259 0.0194 0.89 0.8398 0.8955 1119974 TimTec1_005914 COc1ccc(cc1)c2nc(SCc3ccccc3C#N)[nH]c(=O)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M19 compound treatment 0.267 0.018 0.67 0.257 0.0174 0.8 1.0381 0.9963 1518985 TimTec1_005915 CC(C1C(=C(N)Oc2c1c(=O)oc3ccccc23)C#N)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M20 compound treatment 0.288 0.039 1.45 0.281 0.0414 1.9 2.3674 0.9913 3088119 TimTec1_005916 FC(F)(F)c1ccc(cc1)C(=O)Nc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M21 compound treatment 0.254 0.00503 0.19 0.251 0.0114 0.52 0.5019 0.9041 1232476 TimTec1_005917 CC1CN(C(=O)C)c2ccccc2NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M22 compound treatment 0.266 0.017 0.63 0.253 0.0134 0.61 0.8823 0.9999 1452888 TimTec1_005918 O=C1N(C(=O)c2cccc3cccc1c23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M23 mock treatment 0.256 0.00703 0.26 0.251 0.0114 0.52 0.5545 0.9488 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 M24 mock treatment 0.245 -0.00397 -0.15 0.224 -0.0156 -0.71 -0.609 -0.8357 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N01 compound treatment 0.251 0.00203 0.08 0.251 0.0114 0.52 0.423 0.801 1241281 TimTec1_005919 COc1cc(NC(=O)c2cc3ccccc3cc2OCC(=O)NC(C)(C)C)c(OC)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N02 compound treatment 0.248 -9.68E-4 -0.04 0.245 0.00541 0.25 0.1498 0.5982 3088122 TimTec1_005920 CCn/1cccc\c1=N/P2(=S)OCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N03 compound treatment 0.258 0.00903 0.34 0.253 0.0134 0.61 0.6718 0.9597 1595949 TimTec1_005921 OC1=C(C(N(CCc2ccccc2)C1=O)c3ccccc3)C(=O)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N04 compound treatment 0.252 0.00303 0.11 0.249 0.00941 0.43 0.3845 0.8631 1572095 TimTec1_005922 COCc1cc(C)nc2[nH]nc(N)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N05 compound treatment 0.251 0.00203 0.08 0.254 0.0144 0.66 0.5201 0.783 3212011 TimTec1_005923 O=C(NCCOc1ccccc1)/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N06 compound treatment 0.25 0.00103 0.04 0.252 0.0124 0.57 0.4291 0.7532 3212012 TimTec1_005924 CCOC(=O)c1cn(nc1N)C2CC(=O)C3OCC2O3.CCOC(=O)c1cn(nc1N)C2CC(O)(O)C3OCC2O3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N07 compound treatment 0.247 -0.00197 -0.07 0.245 0.00541 0.25 0.1235 0.4779 3088126 TimTec1_005925 NC[C@@H]1CCCN2CCCC[C@H]12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N08 compound treatment 0.247 -0.00197 -0.07 0.246 0.00641 0.29 0.1559 0.5151 1354761 TimTec1_005926 CCC(C)NCc1ccc(o1)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N09 compound treatment 0.253 0.00403 0.15 0.247 0.00741 0.34 0.3461 0.9326 1518220 TimTec1_005927 CSC1=NC(=C(C(=O)Nc2ccccc2)C3(CCCCC3)C1C(=O)N)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N10 compound treatment 0.247 -0.00197 -0.07 0.247 0.00741 0.34 0.1883 0.5422 3212013 TimTec1_005928 OC1(O)CC(C2COC1O2)n3nc(c4ccco4)n(CC=C)c3=S.C=CCn1c(nn(C2CC(=O)C3OCC2O3)c1=S)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N11 compound treatment 0.245 -0.00397 -0.15 0.243 0.00341 0.16 0.0062 0.0287 3088130 TimTec1_005929 Cc1cc2CC(C)(C)N/C(=C/C(=O)N)/c2cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N12 compound treatment 0.248 -9.68E-4 -0.04 0.246 0.00641 0.29 0.1822 0.6158 1138138 TimTec1_005930 CCOC(=O)c1[nH]c(C)c(CNc2ccccc2)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N13 compound treatment 0.258 0.00903 0.34 0.257 0.0174 0.8 0.8014 0.9262 1675612 TimTec1_005931 COc1nonc1n2nnc(C(=O)c3ccccc3)c2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N14 compound treatment 0.262 0.013 0.48 0.258 0.0184 0.84 0.9389 0.9655 1140939 TimTec1_005932 CCCc1c(C)[nH]c2nc3ccccc3n2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N15 compound treatment 0.253 0.00403 0.15 0.253 0.0134 0.61 0.5403 0.8547 3088132 TimTec1_005933 Clc1ccccc1c2nnc3cccc(Cl)n23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N16 compound treatment 0.248 -9.68E-4 -0.04 0.25 0.0104 0.48 0.3117 0.6519 1219341 TimTec1_005934 CCN(C(=O)c1c(C)c(Cl)c(C)nc1Oc2ccc(F)cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N17 compound treatment 0.256 0.00703 0.26 0.252 0.0124 0.57 0.5869 0.938 1518508 TimTec1_005935 CC(=O)N(CC1(CC2CC3CC(C2)C1)C3)C4CC(=O)N(C4=O)c5cccc(Cl)c5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N18 compound treatment 0.252 0.00303 0.11 0.252 0.0124 0.57 0.4817 0.8312 3088204 TimTec1_005936 Cn1nc(cc1Cl)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N19 compound treatment 0.297 0.048 1.79 0.287 0.0474 2.17 2.7984 0.9953 3088206 TimTec1_005937 Cc1ccc(N/C(=C/C(=O)c2ccccc2)/C(=O)O)cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N20 compound treatment 0.311 0.062 2.31 0.301 0.0614 2.81 3.6199 0.9952 3088207 TimTec1_005938 CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(Br)o2)C(=O)O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N21 compound treatment 0.259 0.01 0.37 0.254 0.0144 0.66 0.7305 0.9636 3212014 TimTec1_005939 COCCN1C=C(C(C(=C1)C(=O)OC)c2cccs2)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N22 compound treatment 0.423 0.174 6.47 0.401 0.161 7.39 9.8032 0.9978 3212015 TimTec1_005940 CN/1CCC\C1=C\C=C\2/SC(=S)NC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N23 mock treatment 0.253 0.00403 0.15 0.247 0.00741 0.34 0.3461 0.9326 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 N24 mock treatment 0.268 0.019 0.71 0.236 -0.00359 -0.16 0.3845 0.529 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O01 compound treatment 0.226 -0.023 -0.85 0.223 -0.0166 -0.76 -1.1411 -0.9983 1199249 TimTec1_005941 CCCn1c2ccccc2c3nnc(SCC(=O)NC(C)c4ccccc4)nc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O02 compound treatment 0.253 0.00403 0.15 0.247 0.00741 0.34 0.3461 0.9326 1786664 TimTec1_005942 CC(C)c1cc(=O)n2nc(N)[nH]c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O03 compound treatment 0.271 0.022 0.82 0.258 0.0184 0.84 1.1756 0.9999 3212016 TimTec1_005943 Fc1ccccc1COc2ccccc2/C=C\3/SC(=N)NC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O04 compound treatment 0.275 0.026 0.97 0.272 0.0324 1.48 1.7341 0.9786 1724360 TimTec1_005944 c1c(nc2nc(c3ccccc3)c(nn12)c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O05 compound treatment 0.297 0.048 1.79 0.256 0.0164 0.75 1.7947 0.926 3088212 TimTec1_005945 O=C(CSC1=NC(CC(=O)N1)c2ccccc2)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O06 compound treatment 0.252 0.00303 0.11 0.261 0.0214 0.98 0.7731 0.7833 1025381 TimTec1_005946 COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O07 compound treatment 0.266 0.017 0.63 0.269 0.0294 1.35 1.4003 0.9408 1512733 TimTec1_005947 COc1ccc(cc1)C2=C(C)C(c3cccs3)c4ccccc4O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O08 compound treatment 0.258 0.00903 0.34 0.251 0.0114 0.52 0.6071 0.9772 3088214 TimTec1_005948 COC(=O)c1ccc(cc1)C2OCCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O09 compound treatment 0.261 0.012 0.45 0.256 0.0164 0.75 0.8479 0.9693 3212017 TimTec1_005949 CCN(CC)N=Nc1n[nH]c2nc(C)cc(C)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O10 compound treatment 0.256 0.00703 0.26 0.253 0.0134 0.61 0.6192 0.9276 1112286 TimTec1_005950 CC(=O)Nc1ccc(Cl)cc1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O11 compound treatment 0.331 0.082 3.05 0.323 0.0834 3.82 4.8582 0.9938 3212018 TimTec1_005951 C1C(=CC(=NN=C1c2ccccc2)c3ccccc3)c4c[nH]c5ccccc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O12 compound treatment 0.255 0.00603 0.22 0.25 0.0104 0.48 0.4958 0.9409 3212019 TimTec1_005952 COc1cc(OC)c(/C=C/2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O13 compound treatment 0.248 -9.68E-4 -0.04 0.254 0.0144 0.66 0.4412 0.6675 1583863 TimTec1_005953 CCOC(=O)C1(CCN(Cc2cccc(c2)C(=O)O)CC1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O14 compound treatment 0.252 0.00303 0.11 0.249 0.00941 0.43 0.3845 0.8631 3212020 TimTec1_005954 COC(=O)c1c(NC(NC(=O)C)(C(F)(F)F)C(F)(F)F)sc2CN(C)CCc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O15 compound treatment 0.283 0.034 1.27 0.274 0.0344 1.58 2.0093 0.9941 1330742 TimTec1_005955 COc1ccc(cc1)C(=O)c2sc3nc(cc(c4cccs4)c3c2N)c5cccs5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O16 compound treatment 0.257 0.00803 0.3 0.266 0.0264 1.21 1.0664 0.8561 1008206 TimTec1_005956 NNc1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O17 compound treatment 0.269 0.02 0.75 0.265 0.0254 1.16 1.3497 0.9768 3212021 TimTec1_005957 C/N=C\1/S/C(=C\c2sccc2C)/C(=O)N1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O18 compound treatment 0.252 0.00303 0.11 0.253 0.0134 0.61 0.514 0.8232 1627835 TimTec1_005958 OC(C(=O)NN1CCCCC1)(c2ccsc2)c3ccsc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O19 compound treatment 0.261 0.012 0.45 0.256 0.0164 0.75 0.8479 0.9693 3088220 TimTec1_005959 C/C(=N/O)/C1CCCCCCCCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O20 compound treatment 0.244 -0.00497 -0.18 0.253 0.0134 0.61 0.3036 0.4734 3212022 TimTec1_005960 Fc1cccc(C(=O)N2CCCCC2)c1F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O21 compound treatment 0.248 -9.68E-4 -0.04 0.243 0.00341 0.16 0.0851 0.5304 1373583 TimTec1_005961 Clc1ccc(cc1)C2(CC(=O)N3CCCCC3)C(=O)c4ccccc4C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O22 compound treatment 0.254 0.00503 0.19 0.251 0.0114 0.52 0.5019 0.9041 1018702 TimTec1_005962 Oc1ccccc1C(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O23 mock treatment 0.246 -0.00297 -0.11 0.248 0.00841 0.39 0.1944 0.485 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 O24 mock treatment 0.262 0.013 0.48 0.221 -0.0186 -0.85 -0.259 -0.2644 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P01 compound treatment 0.21 -0.039 -1.45 0.197 -0.0426 -1.95 -2.4037 -0.9893 1707498 TimTec1_005963 COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NC3(CC4CC5CC(C4)C3)C5)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P02 compound treatment 0.228 -0.021 -0.78 0.221 -0.0186 -0.85 -1.1532 -0.9991 3088297 TimTec1_005964 CC1(C)COP(=S)(OC1)N(C2=NCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P03 compound treatment 0.246 -0.00297 -0.11 0.239 -5.86E-4 -0.03 -0.097 -0.8542 3212023 TimTec1_005965 CCC1CC(O)C(C)C(C)S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P04 compound treatment 0.244 -0.00497 -0.18 0.244 0.00441 0.2 0.0122 0.0447 3088299 TimTec1_005966 Oc1c(Cl)cc(Cl)cc1C(O)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P05 compound treatment 0.243 -0.00597 -0.22 0.248 0.00841 0.39 0.1155 0.2597 1497087 TimTec1_005967 COc1ccccc1n2c(CSc3ccccn3)nc4ccccc4c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P06 compound treatment 0.238 -0.011 -0.41 0.258 0.0184 0.84 0.3077 0.3285 3088301 TimTec1_005968 FC(F)(F)c1ccc(cc1)C(=O)NCCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P07 compound treatment 0.279 0.03 1.12 0.269 0.0294 1.35 1.7422 0.9957 3212024 TimTec1_005969 Brc1cccc(CSCC(=O)Nc2ccc3ccccc3c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P08 compound treatment 0.306 0.057 2.12 0.298 0.0584 2.67 3.3912 0.9934 3212086 TimTec1_005970 Cc1cc(Cl)ccc1OC2C(N(C2=O)c3cccc(c3)C(F)(F)F)c4ccc5OCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P09 compound treatment 0.244 -0.00497 -0.18 0.245 0.00541 0.25 0.0446 0.1443 1275002 TimTec1_005971 CC(NC(=O)NC1(CC1)c2ccccc2)C3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P10 compound treatment 0.246 -0.00297 -0.11 0.244 0.00441 0.2 0.0648 0.2816 1579554 TimTec1_005972 COc1ccc(cc1OC)C2SCC(=O)N2CCN3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P11 compound treatment 0.267 0.018 0.67 0.265 0.0254 1.16 1.2971 0.9657 3088305 TimTec1_005973 CNc1nc(cc(n1)C(F)(F)F)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P12 compound treatment 0.253 0.00403 0.15 0.241 0.00141 0.06 0.1518 0.9294 1420064 TimTec1_005974 Fc1ccccc1c2nnn(CC(=O)NCc3ccc4OCOc4c3)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P13 compound treatment 0.245 -0.00397 -0.15 0.239 -5.86E-4 -0.03 -0.1233 -0.8222 1669226 TimTec1_005975 CCOC(=O)C1=C(N)CC(NC1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P14 compound treatment 0.254 0.00503 0.19 0.242 0.00241 0.11 0.2105 0.9684 3088307 TimTec1_005976 COc1cc(ccc1n2cnnn2)n3cnnn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P15 compound treatment 0.238 -0.011 -0.41 0.239 -5.86E-4 -0.03 -0.3074 -0.752 1638981 TimTec1_005977 COc1ccc(NC(=O)C2(CCCCC2)N(C(=O)Cn3nnnc3N)c4ccc(OC)cc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P16 compound treatment 0.246 -0.00297 -0.11 0.25 0.0104 0.48 0.2591 0.5294 1387660 TimTec1_005978 CN(C)c1ccc(cc1)C(N2C(CC2=O)c3ccco3)C(=O)Nc4c(C)cccc4C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P17 compound treatment 0.252 0.00303 0.11 0.247 0.00741 0.34 0.3198 0.894 1166206 TimTec1_005979 Cc1cc(C)n2nc(nc2n1)S(=O)(=O)N(CC=C)CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P18 compound treatment 0.234 -0.015 -0.56 0.242 0.00241 0.11 -0.3155 -0.5559 3088310 TimTec1_005980 Cc1ccccc1CSc2nnc3c4ccccc4n(CC=C)c3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P19 compound treatment 0.253 0.00403 0.15 0.256 0.0164 0.75 0.6375 0.8318 3212087 TimTec1_005981 CC(=O)NC(NCC1(CC2CC3CC(C2)C1)C3)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P20 compound treatment 0.245 -0.00397 -0.15 0.234 -0.00559 -0.26 -0.2852 -0.9659 3212088 TimTec1_005982 Brc1ccc2nc(oc(=O)c2c1)c3ccc4C(=O)N(C5CCCCC5)C(=O)c4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P21 compound treatment 0.308 0.059 2.2 0.302 0.0624 2.86 3.5733 0.9915 1700737 TimTec1_005983 Cc1ccc(cc1S(=O)(=O)NCc2ccccn2)c3nnc(Nc4ccccc4)c5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P22 compound treatment 0.239 -0.00997 -0.37 0.24 4.14E-4 0.02 -0.2488 -0.6701 3212089 TimTec1_005984 CN1CCC(CC1)OC(=O)c2cc3cc(Br)ccc3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P23 mock treatment 0.238 -0.011 -0.41 0.223 -0.0166 -0.76 -0.8255 -0.9575 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2079 P24 mock treatment 0.22 -0.029 -1.08 0.202 -0.0376 -1.72 -1.9788 -0.9746 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A01 compound treatment 0.177 -0.039 -1.45 0.173 -0.0783 -3.59 -3.5611 -0.9207 1333525 TimTec1_005985 COc1ccc(cc1OC)C(=O)N2CCN(CC2)S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A02 compound treatment 0.252 0.036 1.34 0.26 0.00869 0.4 1.2283 0.8793 3088315 TimTec1_005986 Cc1n(Cc2ccccc2)c(O)cc3nn(c4nc5ccccc5s4)c(=O)c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A03 compound treatment 0.182 -0.034 -1.26 0.193 -0.0583 -2.67 -2.782 -0.9417 3088316 TimTec1_005987 CN(C)S(=O)(=O)c1cccc2N=S=Nc21 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A04 compound treatment 0.262 0.046 1.71 0.266 0.0147 0.67 1.6855 0.9168 3088391 TimTec1_005988 COc1ccc(OC2C(N(C2=O)c3cccc(c3)C(F)(F)F)c4ccc(OC)c(OC)c4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A05 compound treatment 0.191 -0.025 -0.93 0.211 -0.0403 -1.85 -1.9625 -0.9496 3212090 TimTec1_005989 O=c1n(c2ccccc2n1S(=O)(=O)c3ccccc3)S(=O)(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A06 compound treatment 0.205 -0.011 -0.41 0.234 -0.0173 -0.79 -0.8497 -0.9527 3088394 TimTec1_005990 CCN(CC)c1nc(N)nc(n1)N(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A07 compound treatment 0.249 0.033 1.23 0.247 -0.00431 -0.2 0.7285 0.586 3212091 TimTec1_005991 Oc1ccc(CNCC2NCCc3ccccc23)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A08 compound treatment 0.203 -0.013 -0.48 0.218 -0.0333 -1.53 -1.4203 -0.8877 1871268 TimTec1_005992 COc1cc(cc(OC)c1OC)C2Sc3ccccc3NC4=C2C(=O)OC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A09 compound treatment 0.258 0.042 1.56 0.271 0.0197 0.9 1.7422 0.9659 3088397 TimTec1_005993 FC(F)(F)c1ccc(cc1)C(=O)Nc2coc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A10 compound treatment 0.192 -0.024 -0.89 0.225 -0.0263 -1.2 -1.483 -0.9891 3212092 TimTec1_005994 COc1ccccc1NC(=O)COc2nsnc2N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A11 compound treatment 0.193 -0.023 -0.86 0.228 -0.0233 -1.07 -1.3595 -0.994 1380446 TimTec1_005995 CCc1nc2ccccc2n1C(=O)CCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A12 compound treatment 0.204 -0.012 -0.45 0.228 -0.0233 -1.07 -1.0702 -0.9252 3212093 TimTec1_005996 O=C(CC1N(NC(=O)c2ccncc2)C(=S)N(C1=O)c3ccccc3)NCCc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A13 compound treatment 0.205 -0.011 -0.41 0.214 -0.0373 -1.71 -1.4972 -0.8524 3088399 TimTec1_005997 CC1(C)CC(CCO1)n2nc(O)cc2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A14 compound treatment 0.23 0.014 0.52 0.249 -0.00231 -0.11 0.2935 0.5524 3212094 TimTec1_005998 COc1cccc(Nc2ccc(Nc3cccc(OC)c3)nn2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A15 compound treatment 0.217 0.001 0.04 0.199 -0.0523 -2.4 -1.6672 -0.696 3212095 TimTec1_005999 CCOc1ccccc1C2C(=CN(CC3(CC4CC5CC(C4)C3)C5)C=C2C(=O)OC)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A16 compound treatment 0.222 0.006 0.22 0.223 -0.0283 -1.3 -0.7587 -0.5769 3088402 TimTec1_006000 Clc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A17 compound treatment 0.226 0.01 0.37 0.221 -0.0303 -1.39 -0.7182 -0.4999 3088404 TimTec1_006001 Clc1cccc(c1)C2NCc3ccccc3-n4cccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A18 compound treatment 0.183 -0.033 -1.23 0.216 -0.0353 -1.62 -2.0111 -0.9908 3212096 TimTec1_006002 COc1ccccc1NC(=O)Cn2nc(n(N)c2=S)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A19 compound treatment 0.185 -0.031 -1.15 0.204 -0.0473 -2.17 -2.347 -0.9564 1610618 TimTec1_006003 CN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(NC(=O)c3cccc(F)c3)C1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A20 compound treatment 0.202 -0.014 -0.52 0.224 -0.0273 -1.25 -1.2523 -0.9246 3088406 TimTec1_006004 O=C1N(CCc2ccccc2)C(NCCc3ccccc3)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A21 compound treatment 0.203 -0.013 -0.48 0.225 -0.0263 -1.2 -1.1937 -0.9196 3212097 TimTec1_006005 CC1(C)CC(=O)C=C(C1)NCC2NCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A22 compound treatment 0.208 -0.008 -0.3 0.232 -0.0193 -0.88 -0.8355 -0.8957 1307924 TimTec1_006006 NCCOc1ccccc1Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A23 mock treatment 0.173 -0.043 -1.6 0.175 -0.0763 -3.49 -3.6015 -0.9373 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 A24 mock treatment 0.188 -0.028 -1.04 0.174 -0.0773 -3.54 -3.2394 -0.8779 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B01 compound treatment 0.197 -0.019 -0.71 0.202 -0.0493 -2.26 -2.0961 -0.8861 3212098 TimTec1_006007 CC(C)(C)c1ccc(cc1)C2CC(=O)c3cnc(N)nc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B02 compound treatment 0.209 -0.007 -0.26 0.254 0.00269 0.12 -0.0969 -0.3365 3088409 TimTec1_006008 CC1(C)CC(=O)C2=C(C1)N(C(=O)CC2c3cccnc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B03 compound treatment 0.242 0.026 0.97 0.25 -0.00131 -0.06 0.6415 0.6621 3212099 TimTec1_006009 Brc1cccc(c1)C(=O)NCCOC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B04 compound treatment 0.24 0.024 0.89 0.255 0.00369 0.17 0.7508 0.8263 3212100 TimTec1_006010 CC(=O)NC1=NN(C(=O)C)C2(S1)C(=O)N(Cc3ccccc3)c4ccccc42 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B05 compound treatment 0.243 0.027 1.0 0.248 -0.00331 -0.15 0.603 0.5938 3088411 TimTec1_006011 COc1cc(OC)cc(c1)C(=O)NCCOC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B06 compound treatment 0.237 0.021 0.78 0.259 0.00769 0.35 0.8014 0.9353 3212101 TimTec1_006012 COC(=O)C1C(CC(=CC1=O)Nc2ccc(F)cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B07 compound treatment 0.249 0.033 1.23 0.255 0.00369 0.17 0.9875 0.797 3088413 TimTec1_006013 O=S(=O)(Nc1ccc2c(c1)oc3ccccc32)N4CCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B08 compound treatment 0.25 0.034 1.26 0.265 0.0137 0.63 1.3375 0.9476 3088482 TimTec1_006014 CCN1C(=O)/C(=C\2/C(=O)N3c4c2cc(OC(=O)c5cccs5)cc4C(=CC3(C)C)C)/SC1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B09 compound treatment 0.253 0.037 1.38 0.258 0.00669 0.31 1.1898 0.8439 3088485 TimTec1_006015 Fc1ccc(cc1)N2CCN(CC2)C(=O)CSc3nnc(c4ccco4)n3CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B10 compound treatment 0.243 0.027 1.0 0.261 0.00969 0.44 1.0239 0.9326 3212102 TimTec1_006016 CC1Cn2c(nnc2S1)c3cccc(O)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B11 compound treatment 0.243 0.027 1.0 0.249 -0.00231 -0.11 0.6354 0.6292 3212103 TimTec1_006017 CCCC(=O)C1=C(CC(C)(C)CC1=O)NCCc2ccc(OCC)c(OCC)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B12 compound treatment 0.249 0.033 1.23 0.258 0.00669 0.31 1.0846 0.8573 3088487 TimTec1_006018 CCOc1cc2CNC(c3cccn3-c2cc1OCC)c4cccc(F)c4F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B13 compound treatment 0.247 0.031 1.15 0.26 0.00869 0.4 1.0968 0.8991 1497125 TimTec1_006019 COC(=O)Cn1c(=O)oc2ccc(Cl)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B14 compound treatment 0.245 0.029 1.08 0.255 0.00369 0.17 0.8823 0.8081 3212104 TimTec1_006020 CCOc1ccc(CCN2C(=O)C3C4CC(C=C4)C3C2=O)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B15 compound treatment 0.24 0.024 0.89 0.261 0.00969 0.44 0.945 0.948 3212105 TimTec1_006021 Cn1c(=O)cc2-c3ccccc3C(=O)c4c(NS(=O)(=O)c5ccccc5)ccc1c24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B16 compound treatment 0.262 0.046 1.71 0.273 0.0217 0.99 1.9122 0.9665 3088490 TimTec1_006022 COc1cccc(Nc2ncccc2C(=O)Nc3ccc(F)cc3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B17 compound treatment 0.284 0.068 2.53 0.289 0.0377 1.73 3.0088 0.9826 3212162 TimTec1_006023 Nc1nonc1c2nc3ccccc3n2CC(=O)N4CCN(CC4)c5ccc(F)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B18 compound treatment 0.234 0.018 0.67 0.237 -0.0143 -0.66 0.0102 0.0109 3088492 TimTec1_006024 CC1(C)CC(=O)C(=C(C1)NCc2ccco2)C(NC(=O)c3ccncc3)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B19 compound treatment 0.235 0.019 0.71 0.258 0.00669 0.31 0.7164 0.93 3212163 TimTec1_006025 Cc1ccc(cc1)C(=O)c2oc3ccccc3c2NC(=O)CCCN4C(=O)c5ccccc5C4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B20 compound treatment 0.255 0.039 1.45 0.261 0.00969 0.44 1.3395 0.883 3088494 TimTec1_006026 Clc1ccc(cc1)c2nnc3SC(=C)Cn23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B21 compound treatment 0.235 0.019 0.71 0.258 0.00669 0.31 0.7164 0.93 3212164 TimTec1_006027 CCN(Cc1ccccc1)C(=O)CSc2nc(C)c(Cl)c(C)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B22 compound treatment 0.24 0.024 0.89 0.251 -3.08E-4 -0.01 0.6213 0.6959 3088496 TimTec1_006028 Fc1ccc(cc1)S(=O)(=O)NCCN2CCNC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B23 mock treatment 0.222 0.006 0.22 0.257 0.00569 0.26 0.3421 0.997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 B24 mock treatment 0.191 -0.025 -0.93 0.201 -0.0503 -2.3 -2.2863 -0.9204 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C01 compound treatment 0.228 0.012 0.45 0.251 -3.08E-4 -0.01 0.3056 0.6844 3212165 TimTec1_006029 Cc1ccc(cc1Cl)N2CCN(CC2)C(=O)C(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C02 compound treatment 0.216 0.0 0.0 0.242 -0.00931 -0.43 -0.3013 -0.7071 3212166 TimTec1_006030 FC(F)(F)c1ccccc1NC(=O)c2ccc(Cn3cnnn3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C03 compound treatment 0.223 0.007 0.26 0.246 -0.00531 -0.24 0.0123 0.0344 3088498 TimTec1_006031 Nc1ccccc1C(=O)Nc2cc(cc(c2)C(=O)O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C04 compound treatment 0.229 0.013 0.48 0.243 -0.00831 -0.38 0.0729 0.1186 3212167 TimTec1_006032 CS(=O)(=O)c1nc2ccccc2n1Cc3ccccc3F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C05 compound treatment 0.291 0.075 2.79 0.308 0.0567 2.6 3.8081 0.9994 3088500 TimTec1_006033 Fc1ccccc1C2CC(=O)Nc3cc4CCCc4cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C06 compound treatment 0.233 0.017 0.63 0.251 -3.08E-4 -0.01 0.4372 0.6912 3212168 TimTec1_006034 Oc1ccccc1n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C07 compound treatment 0.237 0.021 0.78 0.244 -0.00731 -0.33 0.3157 0.3715 3212169 TimTec1_006035 Fc1cccc(F)c1CNCC2NCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C08 compound treatment 0.243 0.027 1.0 0.263 0.0117 0.54 1.0887 0.9566 3088503 TimTec1_006036 CSC1=NC2(C)CCCCC2c3c1ccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C09 compound treatment 0.235 0.019 0.71 0.243 -0.00831 -0.38 0.2307 0.2875 3212170 TimTec1_006037 CC(=O)ON1C(C)(C)Cc2noc(N)c2C1(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C10 compound treatment 0.239 0.023 0.86 0.26 0.00869 0.4 0.8863 0.9394 3212171 TimTec1_006038 C(CSc1nnc2c3ccccc3nc(c4ccccc4)n12)Oc5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C11 compound treatment 0.277 0.061 2.27 0.277 0.0257 1.18 2.4362 0.9532 1197164 TimTec1_006039 CC(C)Cc1ccc(cc1)C(C)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C12 compound treatment 0.237 0.021 0.78 0.244 -0.00731 -0.33 0.3157 0.3715 3088505 TimTec1_006040 CCOc1cc(CN)c(cc1OCC)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C13 compound treatment 0.283 0.067 2.49 0.295 0.0437 2.0 3.1768 0.9941 3088575 TimTec1_006041 Clc1ccc(c2ccccc12)S(=O)(=O)NCC3(CC4CC5CC(C4)C3)C5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C14 compound treatment 0.224 0.008 0.3 0.226 -0.0253 -1.16 -0.609 -0.509 1249304 TimTec1_006042 Clc1ccc(NC(=O)NCCc2ccncc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C15 compound treatment 0.243 0.027 1.0 0.251 -3.08E-4 -0.01 0.7002 0.6971 3088578 TimTec1_006043 CCc1nc2c3no[n+]([O-])c3c4no[n+]([O-])c4c2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C16 compound treatment 0.236 0.02 0.74 0.251 -3.08E-4 -0.01 0.5161 0.6936 3212172 TimTec1_006044 CCCNC(=O)Cc1nnc[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C17 compound treatment 0.244 0.028 1.04 0.261 0.00969 0.44 1.0502 0.9277 3088580 TimTec1_006045 Cc1ccc(cc1)C(=O)c2nsc(Cl)c2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C18 compound treatment 0.235 0.019 0.71 0.254 0.00269 0.12 0.5869 0.8181 3212173 TimTec1_006046 Cn1ccnc1SCc2cc(=O)[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C19 compound treatment 0.231 0.015 0.56 0.243 -0.00831 -0.38 0.1255 0.1859 3088582 TimTec1_006047 COC(=O)CC1CC(C)(C)NC(C)(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C20 compound treatment 0.256 0.04 1.49 0.262 0.0107 0.49 1.3982 0.8927 1686023 TimTec1_006048 CCOC(=O)C1=C(SCC)c2ccc(c3ccccc3)n2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C21 compound treatment 0.233 0.017 0.63 0.241 -0.0103 -0.47 0.1134 0.1437 3212174 TimTec1_006049 O=C1CC(CC(=O)C1=CNCC2NCCc3ccccc23)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C22 compound treatment 0.225 0.009 0.33 0.239 -0.0123 -0.56 -0.1618 -0.2468 1535965 TimTec1_006050 Brc1ccc(cc1)S(=O)(=O)N2CCNCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C23 mock treatment 0.219 0.003 0.11 0.243 -0.00831 -0.38 -0.1901 -0.4795 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 C24 mock treatment 0.206 -0.01 -0.37 0.221 -0.0303 -1.39 -1.2443 -0.8661 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D01 compound treatment 0.219 0.003 0.11 0.238 -0.0133 -0.61 -0.352 -0.5682 3088585 TimTec1_006051 C/C(=N\S(=O)(=O)c1ccc(C)cc1)/Nc2ccc(O)c(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D02 compound treatment 0.232 0.016 0.6 0.254 0.00269 0.12 0.508 0.8358 3212175 TimTec1_006052 Cn1c(SCSc2nc3n(C)c(=O)n(C)c(=O)c3n2C)nc4n(C)c(=O)n(C)c(=O)c14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D03 compound treatment 0.242 0.026 0.97 0.261 0.00969 0.44 0.9976 0.9376 3088587 TimTec1_006053 Cc1ccc(OCc2ccccc2C(=O)Nc3nccs3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D04 compound treatment 0.293 0.077 2.86 0.293 0.0417 1.91 3.375 0.9806 3212176 TimTec1_006054 O=C1N2C(N(Cc3ccccc3)S(=O)(=O)c4ccccc24)c5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D05 compound treatment 0.242 0.026 0.97 0.251 -3.08E-4 -0.01 0.6739 0.6967 3088589 TimTec1_006055 Brc1cncc(c1)C(=O)NCCOc2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D06 compound treatment 0.25 0.034 1.26 0.282 0.0307 1.41 1.8879 0.9986 3212177 TimTec1_006056 COC(=O)C1C(CC(=CC1=O)Nc2cc(OC)ccc2OC)c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D07 compound treatment 0.233 0.017 0.63 0.251 -3.08E-4 -0.01 0.4372 0.6912 3212178 TimTec1_006057 CS(=O)(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc3ccc4C(=O)OCc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D08 compound treatment 0.285 0.069 2.57 0.286 0.0347 1.59 2.938 0.9734 3088591 TimTec1_006058 Cc1ccccc1NC(=O)C2C3N4C(=O)CSC4=NC2(C)Oc5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D09 compound treatment 0.288 0.072 2.68 0.304 0.0527 2.41 3.5996 0.9986 3212179 TimTec1_006059 CC(=C1C(=O)CC(CC1=O)c2ccccc2)NCCc3c(C)[nH]c4ccc(OC(F)(F)F)cc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D10 compound treatment 0.272 0.056 2.08 0.273 0.0217 0.99 2.1752 0.9426 3212180 TimTec1_006060 OCCCn1c(cn2c(c(nc12)c3ccccc3)c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D11 compound treatment 0.258 0.042 1.56 0.258 0.00669 0.31 1.3213 0.83 1303635 TimTec1_006061 S=C(NCc1ccccc1)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D12 compound treatment 0.241 0.025 0.93 0.246 -0.00531 -0.24 0.4857 0.5053 3212181 TimTec1_006062 CCOc1cc2CNC(C3CCCCC3)c4cccn4-c2cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D13 compound treatment 0.262 0.046 1.71 0.259 0.00769 0.35 1.4589 0.8352 3088595 TimTec1_006063 COc1ccc(cc1)C(=O)N(CC(=O)Nc2nn(nc2C(=O)N)c3ccccc3)Cc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D14 compound treatment 0.245 0.029 1.08 0.258 0.00669 0.31 0.9794 0.8734 3212182 TimTec1_006064 CC(C1CC(=O)N(C1=O)c2ccc(OC(F)(F)F)cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D15 compound treatment 0.238 0.022 0.82 0.246 -0.00531 -0.24 0.4068 0.4765 3212183 TimTec1_006065 COc1nc(NCCC2=CCCCC2)nc(n1)N3CC4CC(C3)c5cccc(=O)n5C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D16 compound treatment 0.248 0.032 1.19 0.266 0.0147 0.67 1.3173 0.9635 3087442 TimTec1_006066 Oc1cccc(/C=N/N2CCCCC2)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D17 compound treatment 0.247 0.031 1.15 0.265 0.0137 0.63 1.2586 0.959 3212184 TimTec1_006067 CC1=C(C(c2ccc(C)o2)n3c(N1)nc4ccccc34)C(=O)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D18 compound treatment 0.262 0.046 1.71 0.269 0.0177 0.81 1.7827 0.9417 1863683 TimTec1_006068 COc1cccc(CNC2(CC3CC4CC(C3)C2)C4)c1OCc5ccccc5F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D19 compound treatment 0.255 0.039 1.45 0.257 0.00569 0.26 1.21 0.821 3212185 TimTec1_006069 COc1ccc(cc1)C2C3C(SC(=C2C#N)N)C(=O)N(C3=O)c4ccc(Br)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D20 compound treatment 0.253 0.037 1.38 0.25 -0.00131 -0.06 0.9308 0.6757 3087446 TimTec1_006070 Clc1ccc(CN2COc3ccc(Cl)cc3C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D21 compound treatment 0.234 0.018 0.67 0.256 0.00469 0.21 0.6253 0.8893 3212186 TimTec1_006071 CN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D22 compound treatment 0.239 0.023 0.86 0.249 -0.00231 -0.11 0.5302 0.6151 1200722 TimTec1_006072 O=C1NCCN1CCNS(=O)(=O)c2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D23 mock treatment 0.235 0.019 0.71 0.254 0.00269 0.12 0.5869 0.8181 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 D24 mock treatment 0.209 -0.007 -0.26 0.249 -0.00231 -0.11 -0.2588 -0.9211 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E01 compound treatment 0.248 0.032 1.19 0.276 0.0247 1.13 1.6411 0.9997 1327534 TimTec1_006073 CCNc1nc(NCC)n2c(SCC(=O)N(c3ccccc3)c4ccccc4)nnc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E02 compound treatment 0.24 0.024 0.89 0.245 -0.00631 -0.29 0.427 0.4551 3212187 TimTec1_006074 O=C(NCCc1ccncc1)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E03 compound treatment 0.245 0.029 1.08 0.255 0.00369 0.17 0.8823 0.8081 3087449 TimTec1_006075 CCCn1ncc(C(=O)O)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E04 compound treatment 0.251 0.035 1.3 0.272 0.0207 0.95 1.5905 0.9878 3212246 TimTec1_006076 O=C(CSc1nnc2sc3ccccc3n12)N4CCc5ccccc5C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E05 compound treatment 0.261 0.045 1.67 0.264 0.0127 0.58 1.5945 0.8999 3087451 TimTec1_006077 Cc1ccc(cc1)N2COc3ccc(Cl)cc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E06 compound treatment 0.308 0.092 3.42 0.307 0.0557 2.55 4.2228 0.9895 3212247 TimTec1_006078 NC1=C(C#N)C(C2=C(O1)c3ccccc3CC2)c4ccccc4Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E07 compound treatment 0.254 0.038 1.41 0.253 0.00169 0.08 1.0542 0.7448 3087453 TimTec1_006079 FC(F)(F)c1ccccc1CNCC2NCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E08 compound treatment 0.254 0.038 1.41 0.265 0.0137 0.63 1.4427 0.9331 3212248 TimTec1_006080 Cc1ccc(OCCNC(=O)c2ccccc2N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E09 compound treatment 0.248 0.032 1.19 0.253 0.00169 0.08 0.8964 0.7515 3087455 TimTec1_006081 Cc1ccc(cc1)c2ccc(CCC(=O)O)n2c3ccccc3C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E10 compound treatment 0.244 0.028 1.04 0.26 0.00869 0.4 1.0178 0.9129 3212249 TimTec1_006082 CC(=O)N1CCc2ccccc2C1CNC3=CC(=O)CC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E11 compound treatment 0.226 0.01 0.37 0.237 -0.0143 -0.66 -0.2002 -0.2658 3087457 TimTec1_006083 COC(=O)c1sc(OC)c(c1O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E12 compound treatment 0.246 0.03 1.12 0.253 0.00169 0.08 0.8438 0.7544 3212250 TimTec1_006084 Cc1[nH]c2ccccc2c1CCNC3=CC(=O)CC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E13 compound treatment 0.31 0.094 3.5 0.306 0.0547 2.5 4.243 0.9866 3087459 TimTec1_006085 Cc1cc(C)c2c(O)nn(C3CCCC3)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E14 compound treatment 0.245 0.029 1.08 0.254 0.00269 0.12 0.8499 0.7828 3212251 TimTec1_006086 NC(=O)CCN1CCn2c1nc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E15 compound treatment 0.247 0.031 1.15 0.257 0.00569 0.26 0.9996 0.8456 3212252 TimTec1_006087 Cc1ccc(C)c(c1)N/2C(=O)CS\C2=C(\C#N)/S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E16 compound treatment 0.248 0.032 1.19 0.254 0.00269 0.12 0.9288 0.7762 1724768 TimTec1_006088 CCCn1c(nc2ccccc12)c3ccc(OC)c(OC)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E17 compound treatment 0.255 0.039 1.45 0.265 0.0137 0.63 1.469 0.9296 1293720 TimTec1_006089 CCc1ccccc1NC(=O)CSc2nc3n(C)c(=O)n(C)c(=O)c3n2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E18 compound treatment 0.25 0.034 1.26 0.269 0.0177 0.81 1.467 0.9768 3212253 TimTec1_006090 CC(C)CC1(NC(C2C1C(=O)N(C(C)C)C2=O)c3ccccc3O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E19 compound treatment 0.24 0.024 0.89 0.256 0.00469 0.21 0.7831 0.8529 3087463 TimTec1_006091 Clc1cccc(c1)C(=O)N2CCNC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E20 compound treatment 0.295 0.079 2.94 0.284 0.0327 1.5 3.1362 0.951 3087465 TimTec1_006092 O=C1C(=C(N2CCCCC2)c3cc4CCCCc4n13)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E21 compound treatment 0.242 0.026 0.97 0.258 0.00669 0.31 0.9005 0.8877 3087466 TimTec1_006093 COC(=O)c1cc(=O)nc2sc3ccccc3n12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E22 compound treatment 0.236 0.02 0.74 0.255 0.00369 0.17 0.6456 0.8462 1602387 TimTec1_006094 OC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E23 mock treatment 0.242 0.026 0.97 0.254 0.00269 0.12 0.771 0.7908 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 E24 mock treatment 0.203 -0.013 -0.48 0.251 -3.08E-4 -0.01 -0.3519 -0.7274 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F01 compound treatment 0.225 0.009 0.33 0.256 0.00469 0.21 0.3886 0.977 1511411 TimTec1_006095 Cc1ccc2oc(=O)c(CCC(=O)O)nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F02 compound treatment 0.248 0.032 1.19 0.257 0.00569 0.26 1.0259 0.842 3087806 TimTec1_006096 CC(=O)Nc1nonc1c2nc3ccccc3n2Cc4ccccn4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F03 compound treatment 0.237 0.021 0.78 0.266 0.0147 0.67 1.028 0.9972 3212254 TimTec1_006097 OCCNC(=O)c1cccc(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F04 compound treatment 0.241 0.025 0.93 0.254 0.00269 0.12 0.7447 0.7939 3212255 TimTec1_006098 Fc1ccccc1Cn2cnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F05 compound treatment 0.25 0.034 1.26 0.259 0.00769 0.35 1.1433 0.8709 3087807 TimTec1_006099 COc1ccccc1NC(=O)c2ccccc2NS(=O)(=O)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F06 compound treatment 0.276 0.06 2.23 0.278 0.0267 1.22 2.4423 0.9598 3212256 TimTec1_006100 CCOC(=O)C1C(CC(=CC1=O)Nc2ccc(cc2)C(F)(F)F)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F07 compound treatment 0.252 0.036 1.34 0.259 0.00769 0.35 1.1959 0.8637 3212257 TimTec1_006101 O=C(N1CCc2ccccc2C1)c3ccccc3C(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F08 compound treatment 0.303 0.087 3.24 0.31 0.0587 2.69 4.1884 0.9957 3212258 TimTec1_006102 CC12CCC3C(CCC4CCCCC43C)C2C/C(=C\c5ccc[nH]5)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F09 compound treatment 0.233 0.017 0.63 0.263 0.0117 0.54 0.8257 0.9966 3087808 TimTec1_006103 CCc1c2C(=O)CCCc2nn1c3cc(Cl)ccc3OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F10 compound treatment 0.251 0.035 1.3 0.263 0.0117 0.54 1.2991 0.9229 3087809 TimTec1_006104 C/C=C/C1OC23CCCCC3C(C#N)(C(=N)O2)C1(C#N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F11 compound treatment 0.25 0.034 1.26 0.255 0.00369 0.17 1.0138 0.7946 3212259 TimTec1_006105 FC(F)(F)c1nnc2ccc(nn12)n3ccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F12 compound treatment 0.224 0.008 0.3 0.259 0.00769 0.35 0.4595 0.9965 3087810 TimTec1_006106 COC(=O)CC1=NN(C(=O)C1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F13 compound treatment 0.274 0.058 2.16 0.282 0.0307 1.41 2.5192 0.9784 3212260 TimTec1_006107 COC(=O)C1C(=CN(CCc2ccccc2)C=C1C(=O)OC)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F14 compound treatment 0.288 0.072 2.68 0.293 0.0417 1.91 3.2435 0.9862 3212261 TimTec1_006108 Clc1cccc(NC(=S)NC2(CC3CC4CC(C3)C2)C4)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F15 compound treatment 0.239 0.023 0.86 0.262 0.0107 0.49 0.9511 0.9649 3212262 TimTec1_006109 COc1ccc(CCNc2nc(Cl)nc(n2)N3CC4CC(C3)c5cccc(=O)n5C4)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F16 compound treatment 0.242 0.026 0.97 0.259 0.00769 0.35 0.9329 0.9064 3087811 TimTec1_006110 CC1CCCCN1C(=S)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F17 compound treatment 0.275 0.059 2.19 0.292 0.0407 1.86 2.8692 0.9967 3087812 TimTec1_006111 CC(=O)Oc1cc(OC(=O)C)c(cc1Cl)C2(C)CC(C)(C)c3cc(Cl)c(OC(=O)C)cc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F18 compound treatment 0.256 0.04 1.49 0.278 0.0267 1.22 1.9162 0.9952 3212263 TimTec1_006112 COc1cccc(c1)C2C(=C(C)Nc3nc4ccccc4n23)C(=O)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F19 compound treatment 0.247 0.031 1.15 0.261 0.00969 0.44 1.1291 0.9139 3212264 TimTec1_006113 FC(F)(F)COC(=O)C1CCCCC1C(=O)NCC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F20 compound treatment 0.262 0.046 1.71 0.263 0.0117 0.54 1.5884 0.886 3087813 TimTec1_006114 Clc1ccc(CCN2COc3ccc(Cl)cc3C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F21 compound treatment 0.236 0.02 0.74 0.248 -0.00331 -0.15 0.4189 0.5518 3087814 TimTec1_006115 CCCN(CCC)S(=O)(=O)c1ccc(OC)c2ncccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F22 compound treatment 0.241 0.025 0.93 0.258 0.00669 0.31 0.8742 0.8929 3212265 TimTec1_006116 CCOC(=O)c1nnn(c1C)c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F23 mock treatment 0.244 0.028 1.04 0.259 0.00769 0.35 0.9855 0.8964 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 F24 mock treatment 0.215 -0.001 -0.04 0.258 0.00669 0.31 0.1904 0.6167 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G01 compound treatment 0.215 -0.001 -0.04 0.238 -0.0133 -0.61 -0.4572 -0.7489 1567525 TimTec1_006117 Ic1ccc(cc1)N(Cc2nnc3CCCCCn23)C(=O)Nc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G02 compound treatment 0.241 0.025 0.93 0.255 0.00369 0.17 0.7771 0.8222 3087815 TimTec1_006118 Fc1ccccc1C(=O)N2C=Cc3ccccc3C2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G03 compound treatment 0.251 0.035 1.3 0.266 0.0147 0.67 1.3962 0.9528 3212266 TimTec1_006119 Cc1[nH]c2ccccc2c1CCNC(=O)NC(=O)c3ccc(cc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G04 compound treatment 0.252 0.036 1.34 0.258 0.00669 0.31 1.1635 0.847 3087816 TimTec1_006120 CCOC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CCCN3C(=O)c4ccccc4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G05 compound treatment 0.236 0.02 0.74 0.254 0.00269 0.12 0.6132 0.8132 3212267 TimTec1_006121 COCc1cc(C)nc2sc(C(=O)OC)c(n3cccc3)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G06 compound treatment 0.305 0.089 3.31 0.286 0.0347 1.59 3.464 0.9434 3212268 TimTec1_006122 Cc1cnc-2c(c1)/C(=N\c3ccccc3)/c4ccccc42 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G07 compound treatment 0.272 0.056 2.08 0.283 0.0317 1.45 2.4989 0.9844 3087817 TimTec1_006123 CN(C)S(=O)(=O)c1cc(C(=O)NCCc2c(C)n(C)c3ccccc23)c(Cl)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G08 compound treatment 0.243 0.027 1.0 0.244 -0.00731 -0.33 0.4735 0.4473 3212269 TimTec1_006124 CC(=O)N1C(CC(=O)C(C1c2ccccc2)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G09 compound treatment 0.242 0.026 0.97 0.256 0.00469 0.21 0.8357 0.8436 3212270 TimTec1_006125 C(c1ccccc1)n2ncc3c4nc(nn4cnc23)c5ccncc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G10 compound treatment 0.263 0.047 1.75 0.269 0.0177 0.81 1.809 0.9389 3087818 TimTec1_006126 COc1ccc(cc1)C(=O)c2coc3ccc(O)c(CN4CCCC4)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G11 compound treatment 0.261 0.045 1.67 0.272 0.0207 0.95 1.8535 0.9637 3212271 TimTec1_006127 CC1(C)Cc2ccccc2C(=N1)c3sc4nc(cc(c4c3N)C(F)(F)F)c5cccs5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G12 compound treatment 0.239 0.023 0.86 0.265 0.0137 0.63 1.0482 0.9883 3087819 TimTec1_006128 CCOC(=O)C1(C2C1(C)C(=O)c3ccc(Br)cc3)C(=O)OC2(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G13 compound treatment 0.249 0.033 1.23 0.264 0.0127 0.58 1.2789 0.9417 3212272 TimTec1_006129 CC(C)n1nc(O)c2c(C)cc(C)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G14 compound treatment 0.242 0.026 0.97 0.254 0.00269 0.12 0.771 0.7908 3087821 TimTec1_006130 C1COc2cc(/N=C/3\CCCCCN3)ccc2O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G15 compound treatment 0.505 0.289 10.75 0.505 0.254 11.62 15.8146 0.9993 3212330 TimTec1_006131 CCN1C(=C(C(=O)OC)/C(=C/c2ccc(OC)cc2)/C1=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G16 compound treatment 0.245 0.029 1.08 0.259 0.00769 0.35 1.0118 0.8917 3212331 TimTec1_006132 CCOc1nc(NC(=O)NS(=O)(=O)c2cccc(Cl)c2)nc(n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G17 compound treatment 0.245 0.029 1.08 0.262 0.0107 0.49 1.1089 0.9361 1578073 TimTec1_006133 Cn1c(SCc2ccc(F)cc2)nc3n(C)c(=O)n(C)c(=O)c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G18 compound treatment 0.244 0.028 1.04 0.259 0.00769 0.35 0.9855 0.8964 3212332 TimTec1_006134 FC(F)(F)COC(=O)C1CCCCC1C(=O)NCCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G19 compound treatment 0.234 0.018 0.67 0.243 -0.00831 -0.38 0.2044 0.2655 3087826 TimTec1_006135 COc1cccc(c1)C(=O)NN2C(CC(=O)N)C(=O)N(C2=S)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G20 compound treatment 0.242 0.026 0.97 0.258 0.00669 0.31 0.9005 0.8877 3212333 TimTec1_006136 COC(=O)C1CCCNC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G21 compound treatment 0.248 0.032 1.19 0.253 0.00169 0.08 0.8964 0.7515 3212334 TimTec1_006137 CCc1ccc(cc1)C2NCc3ccccc3-n4cccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G22 compound treatment 0.24 0.024 0.89 0.255 0.00369 0.17 0.7508 0.8263 3087829 TimTec1_006138 CCOC(=O)C1CC(=NO1)CC2OCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G23 mock treatment 0.225 0.009 0.33 0.258 0.00669 0.31 0.4534 0.999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 G24 mock treatment 0.21 -0.006 -0.22 0.233 -0.0183 -0.84 -0.7505 -0.8652 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H01 compound treatment 0.218 0.002 0.07 0.248 -0.00331 -0.15 -0.0545 -0.3229 3212335 TimTec1_006139 CCC(=O)C1=C(CCCC1=O)NCCc2c(C)[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H02 compound treatment 0.232 0.016 0.6 0.258 0.00669 0.31 0.6375 0.9524 3087831 TimTec1_006140 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCN(CC3)C(=S)NC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H03 compound treatment 0.251 0.035 1.3 0.259 0.00769 0.35 1.1696 0.8672 3212336 TimTec1_006141 Clc1ccc(cc1Cl)S(=O)(=O)N2CCCC2C(=O)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H04 compound treatment 0.362 0.146 5.43 0.366 0.115 5.25 7.5532 0.9999 3087877 TimTec1_006142 CN(c1ccccc1)c2nc(nc(n2)n3ccnc3)n4ccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H05 compound treatment 0.254 0.038 1.41 0.262 0.0107 0.49 1.3456 0.8996 3087880 TimTec1_006143 COC(=O)/C=C/CSc1nnc(o1)c2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H06 compound treatment 0.283 0.067 2.49 0.294 0.0427 1.95 3.1444 0.9928 3212337 TimTec1_006144 CCOC(=O)C1C(CC(=CC1=O)Nc2sc3CCCCc3c2C#N)c4cccc(OC)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H07 compound treatment 0.261 0.045 1.67 0.263 0.0117 0.54 1.5621 0.8889 3087882 TimTec1_006145 CCc1ccc(OCC(=O)Nc2ccc3C(=O)OCc3c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H08 compound treatment 0.249 0.033 1.23 0.252 6.92E-4 0.03 0.8903 0.7251 3212338 TimTec1_006146 Cc1nc2ccccc2nc1CSc3nnc(Cc4ccccc4)n3c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H09 compound treatment 0.246 0.03 1.12 0.257 0.00569 0.26 0.9733 0.8494 3087884 TimTec1_006147 CCCCc1c2C(=O)CC(Cc2nn1c3ccccc3F)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H10 compound treatment 0.245 0.029 1.08 0.258 0.00669 0.31 0.9794 0.8734 3212339 TimTec1_006148 COC1OC2COC(C2O)C1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H11 compound treatment 0.241 0.025 0.93 0.259 0.00769 0.35 0.9066 0.9117 1214251 TimTec1_006149 CC(O)Cn1c(O)cc(C)c(C#N)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H12 compound treatment 0.256 0.04 1.49 0.261 0.00969 0.44 1.3658 0.8797 3212340 TimTec1_006150 Oc1ccccc1N2CCN(CC2)C(=S)NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H13 compound treatment 0.255 0.039 1.45 0.257 0.00569 0.26 1.21 0.821 3212341 TimTec1_006151 CCN(CC)C(=O)NC(=O)c1c(C)cc(Cl)nc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H14 compound treatment 0.237 0.021 0.78 0.24 -0.0113 -0.52 0.1862 0.1987 1411377 TimTec1_006152 CN(C1CCCCC1)C(=S)NCCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H15 compound treatment 0.301 0.085 3.16 0.309 0.0577 2.64 4.1034 0.996 3212342 TimTec1_006153 COC(=O)C1=CN(CCOC2(CC3CC4CC(C3)C2)C4)C=C(C1c5cccc(F)c5)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H16 compound treatment 0.238 0.022 0.82 0.25 -0.00131 -0.06 0.5363 0.6536 1662088 TimTec1_006154 CC1CCCCN1C(=S)NCCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H17 compound treatment 0.306 0.09 3.35 0.306 0.0547 2.5 4.1378 0.9898 3212343 TimTec1_006155 Sc1nc(c(c2ccccc2)n1CC(=O)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H18 compound treatment 0.236 0.02 0.74 0.246 -0.00531 -0.24 0.3542 0.4526 3087889 TimTec1_006156 Cc1cc2nc([nH]c2cc1C)S(=O)(=O)Cc3cccc(c3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H19 compound treatment 0.243 0.027 1.0 0.262 0.0107 0.49 1.0563 0.9455 3212344 TimTec1_006157 CCc1nc(N2CCCCC2)c3sc(=S)n(c4ccccc4)c3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H20 compound treatment 0.241 0.025 0.93 0.254 0.00269 0.12 0.7447 0.7939 3212345 TimTec1_006158 N#Cc1nc(nc(n1)N2CCCC2)N(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H21 compound treatment 0.233 0.017 0.63 0.258 0.00669 0.31 0.6638 0.9447 3087892 TimTec1_006159 CN(C)c1nc(Oc2ccc(O)nn2)nc(n1)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H22 compound treatment 0.278 0.062 2.31 0.284 0.0327 1.5 2.6891 0.9781 3212346 TimTec1_006160 CCOc1ccc(CC(=C2C(=O)CC(C)(C)CC2=O)Nc3ccccc3O)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H23 mock treatment 0.248 0.032 1.19 0.263 0.0117 0.54 1.2202 0.9349 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 H24 mock treatment 0.22 0.004 0.15 0.254 0.00269 0.12 0.1924 0.9956 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I01 compound treatment 0.215 -0.001 -0.04 0.25 -0.00131 -0.06 -0.0686 -0.9738 1646660 TimTec1_006161 CC1(C)CC(CC(C)(C)N1)NC(=O)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I02 compound treatment 0.224 0.008 0.3 0.233 -0.0183 -0.84 -0.3823 -0.4298 3212347 TimTec1_006162 CCOC(=O)C1CCCc2c1[nH]c3ccc(cc23)C(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I03 compound treatment 0.25 0.034 1.26 0.277 0.0257 1.18 1.7261 0.9993 3212348 TimTec1_006163 CCCS(=O)(=O)c1c(C(=O)c2ccc(F)cc2)n3ccc(CC)cc3c1S(=O)(=O)CCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I04 compound treatment 0.236 0.02 0.74 0.256 0.00469 0.21 0.6779 0.8755 1516298 TimTec1_006164 CCOC(=O)c1c(CC(C#N)(c2ccccc2)c3ccccc3)oc4ccc(OC)cc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I05 compound treatment 0.262 0.046 1.71 0.277 0.0257 1.18 2.0417 0.9833 3212349 TimTec1_006165 Cc1cc(C)c2c(c(sc2n1)C(=O)Oc3ccccc3)n4cccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I06 compound treatment 0.251 0.035 1.3 0.258 0.00669 0.31 1.1372 0.8503 3087896 TimTec1_006166 Cc1ccc(cc1)c2ccc(N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I07 compound treatment 0.243 0.027 1.0 0.26 0.00869 0.4 0.9915 0.9179 3087898 TimTec1_006167 CN(C1CCN(C)CC1)C(=O)c2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I08 compound treatment 0.261 0.045 1.67 0.263 0.0117 0.54 1.5621 0.8889 1801410 TimTec1_006168 CCC(Sc1ncccn1)C(=O)Nc2cc(C)on2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I09 compound treatment 0.315 0.099 3.68 0.303 0.0517 2.37 4.2774 0.9772 3087935 TimTec1_006169 FC(F)(F)c1nc2sc3ccccc3n2c(=N)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I10 compound treatment 0.268 0.052 1.93 0.276 0.0247 1.13 2.1671 0.9673 3087938 TimTec1_006170 Cc1nc(Cl)c2sc(=S)n(c3ccccc3)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I11 compound treatment 0.247 0.031 1.15 0.258 0.00669 0.31 1.032 0.865 3212350 TimTec1_006171 Cc1cc(NC(=O)C2CC(=O)OC2c3ccccc3)no1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I12 compound treatment 0.247 0.031 1.15 0.267 0.0157 0.72 1.3234 0.9741 3212351 TimTec1_006172 CC1(C)CC(=O)c2cnc(NC3OC(=O)c4ccccc34)nc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I13 compound treatment 0.249 0.033 1.23 0.263 0.0117 0.54 1.2465 0.9308 1875964 TimTec1_006173 CSc1nc2n(ncc2c(=O)n1N)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I14 compound treatment 0.282 0.066 2.45 0.291 0.0397 1.82 3.0209 0.9891 3212352 TimTec1_006174 Fc1ccccc1N2CCN(CC2)C(=O)c3cc4cccc(CC=C)c4oc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I15 compound treatment 0.243 0.027 1.0 0.255 0.00369 0.17 0.8297 0.8147 3087941 TimTec1_006175 COc1ccc(cc1OC)C2NCC3(C)CN2CC(C)C3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I16 compound treatment 0.246 0.03 1.12 0.264 0.0127 0.58 1.2 0.9538 3212353 TimTec1_006176 COc1ccc(OC)c2C(=O)NC(C)(C)Cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I17 compound treatment 0.254 0.038 1.41 0.265 0.0137 0.63 1.4427 0.9331 3087943 TimTec1_006177 Cc1nc(c(C)s1)c2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I18 compound treatment 0.25 0.034 1.26 0.267 0.0157 0.72 1.4023 0.9641 1418925 TimTec1_006178 Cc1c(C#N)c(=O)n(nc1C(=O)NN)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I19 compound treatment 0.285 0.069 2.57 0.289 0.0377 1.73 3.0351 0.9814 3087945 TimTec1_006179 CCOc1cc(NC(=O)c2ccc(OC)cc2)c(C#N)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I20 compound treatment 0.252 0.036 1.34 0.263 0.0117 0.54 1.3254 0.9191 3212354 TimTec1_006180 OC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)C3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I21 compound treatment 0.314 0.098 3.65 0.32 0.0687 3.15 4.8015 0.9973 3212355 TimTec1_006181 CCOC(=O)c1c(C)nc2-c3ccccc3C(=O)c2c1c4ccc(OC)c(OC)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I22 compound treatment 0.303 0.087 3.24 0.322 0.0707 3.24 4.5769 1.0 3087948 TimTec1_006182 Cc1nn(C(=O)c2ccc(cc2)C(C)(C)C)c(N)c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I23 mock treatment 0.233 0.017 0.63 0.259 0.00769 0.35 0.6962 0.9618 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 I24 mock treatment 0.218 0.002 0.07 0.253 0.00169 0.08 0.1074 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J01 compound treatment 0.214 -0.002 -0.07 0.251 -3.08E-4 -0.01 -0.0626 -0.8263 3212356 TimTec1_006183 O=c1[nH]c2ccc(cc2s1)S(=O)(=O)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J02 compound treatment 0.265 0.049 1.82 0.269 0.0177 0.81 1.8616 0.9334 3087950 TimTec1_006184 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCN(CC3)C(=S)NC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J03 compound treatment 0.24 0.024 0.89 0.255 0.00369 0.17 0.7508 0.8263 3212357 TimTec1_006185 Nn1c(S)nnc1C(O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J04 compound treatment 0.256 0.04 1.49 0.278 0.0267 1.22 1.9162 0.9952 3212416 TimTec1_006186 Cc1ccc(NC(=O)NC(NC(=O)Cc2ccccc2)(C(F)(F)F)C(F)(F)F)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J05 compound treatment 0.248 0.032 1.19 0.258 0.00669 0.31 1.0583 0.8611 3087952 TimTec1_006187 Cc1ccc(o1)C(=O)CSc2nnc(c3cccs3)n2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J06 compound treatment 0.234 0.018 0.67 0.257 0.00569 0.26 0.6577 0.9155 1171228 TimTec1_006188 CN(CCc1ccccn1)C(=S)Nc2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J07 compound treatment 0.238 0.022 0.82 0.248 -0.00331 -0.15 0.4715 0.5666 3087954 TimTec1_006189 CN(C)c1ccc(cc1)C(N2CCOCC2)P(=O)(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J08 compound treatment 0.246 0.03 1.12 0.252 6.92E-4 0.03 0.8114 0.7269 3212417 TimTec1_006190 CC(C)C1OC(OCC1(C)C)c2cccc(NC(=O)c3ccc(F)cc3)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J09 compound treatment 0.246 0.03 1.12 0.251 -3.08E-4 -0.01 0.7791 0.6981 3212418 TimTec1_006191 CCOc1ccc(CCNC2=C(C(=O)CC)C(=O)CC(C2)c3ccccc3)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J10 compound treatment 0.303 0.087 3.24 0.314 0.0627 2.87 4.3179 0.9982 3087957 TimTec1_006192 Cc1nc(SCC(=O)NCc2ccc(Cl)cc2)c(C#N)c(C)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J11 compound treatment 0.24 0.024 0.89 0.249 -0.00231 -0.11 0.5565 0.6191 3212419 TimTec1_006193 CCC(CC)NS(=O)(=O)c1cccc(c1)C(=O)NCCOc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J12 compound treatment 0.255 0.039 1.45 0.263 0.0117 0.54 1.4043 0.9082 3087958 TimTec1_006194 NC(Cn1ccnc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J13 compound treatment 0.246 0.03 1.12 0.261 0.00969 0.44 1.1028 0.9184 3087960 TimTec1_006195 Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)NC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J14 compound treatment 0.252 0.036 1.34 0.265 0.0137 0.63 1.3901 0.9402 3212420 TimTec1_006196 Cc1ccc(NC(=S)Nc2ccc(cc2)N3CCOCC3)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J15 compound treatment 0.239 0.023 0.86 0.249 -0.00231 -0.11 0.5302 0.6151 3212421 TimTec1_006197 Cc1nc2cccc(C(=O)N3CCN(CC3)c4ccccc4)c2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J16 compound treatment 0.245 0.029 1.08 0.264 0.0127 0.58 1.1737 0.9579 3087985 TimTec1_006198 COc1ccc(OCc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J17 compound treatment 0.24 0.024 0.89 0.248 -0.00331 -0.15 0.5241 0.5789 3212422 TimTec1_006199 CC(C)OC(=O)C1CC=CCC1C(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J18 compound treatment 0.278 0.062 2.31 0.279 0.0277 1.27 2.5272 0.9603 3087987 TimTec1_006200 Cc1cc(nn1CC(=O)Nc2ccc(CC#N)cc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J19 compound treatment 0.253 0.037 1.38 0.26 0.00869 0.4 1.2546 0.8757 3212423 TimTec1_006201 CCc1nc(N2CCc3ccccc23)c4sc(=S)n(c5ccccc5)c4n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J20 compound treatment 0.308 0.092 3.42 0.303 0.0517 2.37 4.0933 0.9838 3212424 TimTec1_006202 Cc1cc(C=C2C(=O)OC(C)(OC2=O)C(C)(C)C)c(C)n1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J21 compound treatment 0.24 0.024 0.89 0.255 0.00369 0.17 0.7508 0.8263 3087990 TimTec1_006203 COc1ccc(cc1)C2(CNC(=O)c3ccco3)CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J22 compound treatment 0.233 0.017 0.63 0.252 6.92E-4 0.03 0.4695 0.7416 3212425 TimTec1_006204 OC(=O)CC(C(=O)O)c1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J23 mock treatment 0.23 0.014 0.52 0.254 0.00269 0.12 0.4554 0.851 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 J24 mock treatment 0.214 -0.002 -0.07 0.246 -0.00531 -0.24 -0.2244 -0.8831 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K01 compound treatment 0.217 0.001 0.04 0.242 -0.00931 -0.43 -0.275 -0.6429 3087991 TimTec1_006205 CC1CCc2nc(SC3CC(=O)C4OCC3O4)nc(c2C1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K02 compound treatment 0.253 0.037 1.38 0.264 0.0127 0.58 1.3841 0.9265 3212426 TimTec1_006206 CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(C)c3n2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K03 compound treatment 0.242 0.026 0.97 0.259 0.00769 0.35 0.9329 0.9064 3087993 TimTec1_006207 C=CCNC(=O)c1scc2OCCOc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K04 compound treatment 0.243 0.027 1.0 0.26 0.00869 0.4 0.9915 0.9179 3212427 TimTec1_006208 Brc1cccc(c1)C2CC(=O)Oc3c2c(=O)oc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K05 compound treatment 0.248 0.032 1.19 0.269 0.0177 0.81 1.4144 0.9824 3087996 TimTec1_006209 CC(C)COC(=O)n1n[n+]([O-])c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K06 compound treatment 0.248 0.032 1.19 0.26 0.00869 0.4 1.1231 0.8948 3212428 TimTec1_006210 COc1ccccc1n2c(cn3c2nc4n(C)c(=O)n(C)c(=O)c43)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K07 compound treatment 0.243 0.027 1.0 0.26 0.00869 0.4 0.9915 0.9179 3087998 TimTec1_006211 O=C(NCc1ccco1)c2scc3OCCOc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K08 compound treatment 0.246 0.03 1.12 0.262 0.0107 0.49 1.1352 0.9316 3212429 TimTec1_006212 OC(=O)CCN1C(=O)c2ccncc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K09 compound treatment 0.241 0.025 0.93 0.256 0.00469 0.21 0.8094 0.8481 3088000 TimTec1_006213 CC1(C)OC(C)(C)/C(=C/c2c(Cl)cccc2Cl)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K10 compound treatment 0.247 0.031 1.15 0.257 0.00569 0.26 0.9996 0.8456 1872861 TimTec1_006214 CC(=O)N(CCc1ccc(C)[n+]([O-])c1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K11 compound treatment 0.276 0.06 2.23 0.277 0.0257 1.18 2.4099 0.9553 3212430 TimTec1_006215 CN(C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)c3ccco3)c4ccc(OC(F)(F)F)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K12 compound treatment 0.262 0.046 1.71 0.269 0.0177 0.81 1.7827 0.9417 3088002 TimTec1_006216 OCCN1CCN(CC1)c2c(c3ccccc3)c4cc(Cl)ccc4[nH]c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K13 compound treatment 0.242 0.026 0.97 0.263 0.0117 0.54 1.0624 0.9611 3212431 TimTec1_006217 CC1CN(C)C(C)CC1n2nc(O)cc2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K14 compound treatment 0.242 0.026 0.97 0.254 0.00269 0.12 0.771 0.7908 3088004 TimTec1_006218 OC1(CCCCC1)C(=O)/C=C/c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K15 compound treatment 0.249 0.033 1.23 0.26 0.00869 0.4 1.1494 0.8907 3212432 TimTec1_006219 CC1CCCC(C)N1C(=O)c2scc3OCCOc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K16 compound treatment 0.233 0.017 0.63 0.251 -3.08E-4 -0.01 0.4372 0.6912 3212433 TimTec1_006220 FC(F)(F)c1ccc(cc1)C(=O)Nc2ccccc2NC(=O)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K17 compound treatment 0.27 0.054 2.01 0.268 0.0167 0.76 1.9607 0.9124 1594831 TimTec1_006221 c1[nH]c2ccccc2c1c3csc(n3)c4ccncc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K18 compound treatment 0.24 0.024 0.89 0.254 0.00269 0.12 0.7184 0.7972 3212434 TimTec1_006222 CC(C)Nc1nc(nc(n1)N2CC3CC(C2)c4cccc(=O)n4C3)N5CCCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K19 compound treatment 0.253 0.037 1.38 0.259 0.00769 0.35 1.2222 0.8603 3212435 TimTec1_006223 CCOc1nc(NC(=O)NC(=O)c2cccs2)nc(n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K20 compound treatment 0.241 0.025 0.93 0.255 0.00369 0.17 0.7771 0.8222 3088048 TimTec1_006224 CC1C(C)C(=O)CCN1C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K21 compound treatment 0.25 0.034 1.26 0.255 0.00369 0.17 1.0138 0.7946 3212436 TimTec1_006225 O=C(NCCc1nc(cs1)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K22 compound treatment 0.247 0.031 1.15 0.263 0.0117 0.54 1.1939 0.9391 3088051 TimTec1_006226 Fc1ccccc1/C=C(\C#N)/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K23 mock treatment 0.236 0.02 0.74 0.258 0.00669 0.31 0.7427 0.9231 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 K24 mock treatment 0.214 -0.002 -0.07 0.242 -0.00931 -0.43 -0.354 -0.8182 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L01 compound treatment 0.245 0.029 1.08 0.274 0.0227 1.04 1.4974 0.9998 3212437 TimTec1_006227 O=C(Nc1ccc2n(cnc2c1)C3CCCCC3)c4cc5ccccc5o4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L02 compound treatment 0.254 0.038 1.41 0.261 0.00969 0.44 1.3132 0.8865 3088053 TimTec1_006228 O=C1CCCN1CCc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L03 compound treatment 0.248 0.032 1.19 0.257 0.00569 0.26 1.0259 0.842 3212438 TimTec1_006229 Cc1cccc(NC(=O)c2ccccc2N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L04 compound treatment 0.246 0.03 1.12 0.25 -0.00131 -0.06 0.7467 0.6682 3212439 TimTec1_006230 CC1(C)CC(=O)C2=C(C1)N(C(=O)CC2c3cccs3)c4ccccc4C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L05 compound treatment 0.264 0.048 1.79 0.278 0.0267 1.22 2.1266 0.9829 3088056 TimTec1_006231 Oc1ccc(cc1)c2cnc3ccncc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L06 compound treatment 0.248 0.032 1.19 0.259 0.00769 0.35 1.0907 0.8787 1621990 TimTec1_006232 COc1cccc(NC(=S)N(C)C2CCN(C)CC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L07 compound treatment 0.244 0.028 1.04 0.252 6.92E-4 0.03 0.7588 0.7283 3212440 TimTec1_006233 CN(c1ccccc1N(C)S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L08 compound treatment 0.247 0.031 1.15 0.256 0.00469 0.21 0.9672 0.8247 3212441 TimTec1_006234 O=C1CC(CN1)c2ccc(cc2)S(=O)(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L09 compound treatment 0.246 0.03 1.12 0.253 0.00169 0.08 0.8438 0.7544 3088059 TimTec1_006235 Fc1ccc(cc1)N2C(=O)CC(C3=C2CCCC3=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L10 compound treatment 0.271 0.055 2.05 0.279 0.0277 1.27 2.3431 0.9735 3212442 TimTec1_006236 Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L11 compound treatment 0.266 0.05 1.86 0.281 0.0297 1.36 2.2764 0.9881 3088060 TimTec1_006237 CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L12 compound treatment 0.255 0.039 1.45 0.265 0.0137 0.63 1.469 0.9296 3212739 TimTec1_006238 COc1ccc(/C=N/N2CCOCC2)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L13 compound treatment 0.281 0.065 2.42 0.285 0.0337 1.54 2.8004 0.9765 1849557 TimTec1_006239 Nc1c(sc2sc(C(=O)Nc3ccccc3)c(N)c12)C(=O)Nc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L14 compound treatment 0.25 0.034 1.26 0.26 0.00869 0.4 1.1757 0.8868 3088062 TimTec1_006240 CC1CCc2c(C1)sc3nc(SCc4nc5ccccc5nc4C)n(C)c(=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L15 compound treatment 0.249 0.033 1.23 0.252 6.92E-4 0.03 0.8903 0.7251 3212740 TimTec1_006241 CCC1C(N(C2=C(C(=O)CC(C)(C)C2)C1=O)c3ccc(OC)cc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L16 compound treatment 0.312 0.096 3.57 0.319 0.0677 3.1 4.7165 0.9975 3088064 TimTec1_006242 CC1=Nc2ccccc2N=C(NC(=O)CSC(=S)N3CCCCC3)C1c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L17 compound treatment 0.253 0.037 1.38 0.263 0.0117 0.54 1.3517 0.9154 3212741 TimTec1_006243 S=c1sc2c(ncnc2n1c3ccccc3)N4CCN(C/C=C/c5ccccc5)CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L18 compound treatment 0.276 0.06 2.23 0.282 0.0307 1.41 2.5718 0.9751 3212742 TimTec1_006244 C=CCNc1nc(nc(n1)n2ccnc2)N(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L19 compound treatment 0.249 0.033 1.23 0.252 6.92E-4 0.03 0.8903 0.7251 3088067 TimTec1_006245 COc1ccc(cc1OC)S(=O)(=O)N(C)CC(=O)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L20 compound treatment 0.247 0.031 1.15 0.256 0.00469 0.21 0.9672 0.8247 3212743 TimTec1_006246 CCC1CCCCN1C(=S)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L21 compound treatment 0.238 0.022 0.82 0.255 0.00369 0.17 0.6982 0.8355 3088068 TimTec1_006247 COc1ccc(cc1)C2(CNS(=O)(=O)c3ccc(C)cc3)CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L22 compound treatment 0.239 0.023 0.86 0.26 0.00869 0.4 0.8863 0.9394 3212744 TimTec1_006248 COc1cc(OC)c(cc1OC)C(=O)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L23 mock treatment 0.24 0.024 0.89 0.257 0.00569 0.26 0.8155 0.8769 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 L24 mock treatment 0.22 0.004 0.15 0.255 0.00369 0.17 0.2247 0.998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M01 compound treatment 0.21 -0.006 -0.22 0.247 -0.00431 -0.2 -0.2973 -0.9981 3212745 TimTec1_006249 NC(=O)CCN1C(=O)C2C3CC(C=C3)C2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M02 compound treatment 0.236 0.02 0.74 0.252 6.92E-4 0.03 0.5484 0.7366 1680974 TimTec1_006250 OC(=O)CCc1ccc([nH]1)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M03 compound treatment 0.239 0.023 0.86 0.252 6.92E-4 0.03 0.6273 0.7328 1682582 TimTec1_006251 COc1ccc(cc1OC)C2(CCCC2)C(=O)NC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M04 compound treatment 0.238 0.022 0.82 0.257 0.00569 0.26 0.7629 0.8884 1457689 TimTec1_006252 CC(=O)Nc1nonc1NC(=O)CSc2ncccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M05 compound treatment 0.263 0.047 1.75 0.272 0.0207 0.95 1.9061 0.9586 1008263 TimTec1_006253 O=C(Nc1ccccc1)Nc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M06 compound treatment 0.244 0.028 1.04 0.262 0.0107 0.49 1.0826 0.9407 3212746 TimTec1_006254 CCC1(CN(CC2(CC)CN(C1)C(=O)c3ccc(OC)cc3)C(=O)c4ccc(OC)cc4)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M07 compound treatment 0.247 0.031 1.15 0.259 0.00769 0.35 1.0644 0.8828 3088136 TimTec1_006255 Nc1n/c(=N\c2ccccc2)/n3c4ccccc4sc3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M08 compound treatment 0.249 0.033 1.23 0.253 0.00169 0.08 0.9227 0.7503 1134094 TimTec1_006256 O=c1[nH]c2ccccc2n1CCOc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M09 compound treatment 0.243 0.027 1.0 0.254 0.00269 0.12 0.7973 0.788 3088138 TimTec1_006257 NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M10 compound treatment 0.295 0.079 2.94 0.302 0.0507 2.32 3.719 0.9932 3212747 TimTec1_006258 CC1(C)Cc2ccccc2C(=N1)CSc3nnc4c5ccccc5[nH]c4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M11 compound treatment 0.261 0.045 1.67 0.258 0.00669 0.31 1.4002 0.8229 3212748 TimTec1_006259 FC(F)(F)c1cc(nc2cc(nn12)C(=O)OCC3CCCN4CCCCC34)c5ccco5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M12 compound treatment 0.239 0.023 0.86 0.248 -0.00331 -0.15 0.4978 0.573 3088141 TimTec1_006260 CC1(C)CC(=O)c2c(n[nH]c2C1)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M13 compound treatment 0.258 0.042 1.56 0.27 0.0187 0.86 1.7098 0.9599 3212749 TimTec1_006261 COc1cc(Br)cc2cc(C(=O)N3CCN(CC3)c4cc(C)ccc4C)c(=O)oc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M14 compound treatment 0.249 0.033 1.23 0.258 0.00669 0.31 1.0846 0.8573 3088143 TimTec1_006262 Clc1ccc(cc1)N2Cc3ccccc3OCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M15 compound treatment 0.285 0.069 2.57 0.288 0.0367 1.68 3.0027 0.9789 3212750 TimTec1_006263 Cc1cc(C)c2c(N)c(sc2n1)C3=NC(C)(C)Cc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M16 compound treatment 0.252 0.036 1.34 0.271 0.0197 0.9 1.5844 0.9815 3088145 TimTec1_006264 Brc1ccc(cc1)C23OC(=O)C4(CCCC4)C3OC(=O)C52CCCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M17 compound treatment 0.258 0.042 1.56 0.269 0.0177 0.81 1.6774 0.9532 3212751 TimTec1_006265 Cc1cc2nc(SCCOC(=O)Nc3ccc(Cl)cc3)nc(C)c2cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M18 compound treatment 0.263 0.047 1.75 0.281 0.0297 1.36 2.1975 0.9923 3088147 TimTec1_006266 Cc1ccc(cc1C)N2CCN(CC2)C(=O)C(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M19 compound treatment 0.243 0.027 1.0 0.254 0.00269 0.12 0.7973 0.788 3212752 TimTec1_006267 O=C1CC(C2COC1O2)n3nnnc3c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M20 compound treatment 0.251 0.035 1.3 0.26 0.00869 0.4 1.202 0.8829 3212753 TimTec1_006268 Nc1ccc(cc1)C(O)C(O)CO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M21 compound treatment 0.24 0.024 0.89 0.273 0.0217 0.99 1.3335 0.9986 3212754 TimTec1_006269 CCCCN1C(=O)C2C(NC(C)(C2C1=O)C(=O)O)c3ccccc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M22 compound treatment 0.25 0.034 1.26 0.258 0.00669 0.31 1.1109 0.8537 3088149 TimTec1_006270 CCOc1cc2CNC(c3cccn3-c2cc1OCC)c4cc(C)c(OC)cc4C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M23 mock treatment 0.227 0.011 0.41 0.254 0.00269 0.12 0.3765 0.881 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 M24 mock treatment 0.199 -0.017 -0.63 0.25 -0.00131 -0.06 -0.4895 -0.7706 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N01 compound treatment 0.202 -0.014 -0.52 0.231 -0.0203 -0.93 -1.0257 -0.9625 3212755 TimTec1_006271 CC(C)(C)c1ccc(CNC(=O)C2CCCN2C(=O)Nc3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N02 compound treatment 0.231 0.015 0.56 0.249 -0.00231 -0.11 0.3198 0.5632 1352036 TimTec1_006272 CNC(=O)C1Cc2ccccc2CN1S(=O)(=O)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N03 compound treatment 0.255 0.039 1.45 0.257 0.00569 0.26 1.21 0.821 3212756 TimTec1_006273 Clc1ccccc1CS(=O)(=O)N2CCN(Cc3ccc4OCOc4c3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N04 compound treatment 0.24 0.024 0.89 0.246 -0.00531 -0.24 0.4594 0.4965 3212757 TimTec1_006274 Cc1cc(Cl)ccc1OCC(=O)NCC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N05 compound treatment 0.242 0.026 0.97 0.262 0.0107 0.49 1.03 0.9502 1090623 TimTec1_006275 COC(=O)c1ccc(cc1)S(=O)(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N06 compound treatment 0.233 0.017 0.63 0.246 -0.00531 -0.24 0.2753 0.4064 3088153 TimTec1_006276 CCN(C1CCCCC1)C(=S)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N07 compound treatment 0.29 0.074 2.75 0.305 0.0537 2.46 3.6846 0.9984 3212758 TimTec1_006277 CSc1nc2ccc(cc2s1)S(=O)(=O)N3CCc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N08 compound treatment 0.239 0.023 0.86 0.251 -3.08E-4 -0.01 0.595 0.6954 3088155 TimTec1_006278 Clc1cccc(c1)n2c(=O)n3CCCn3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N09 compound treatment 0.241 0.025 0.93 0.24 -0.0113 -0.52 0.2914 0.2738 3212759 TimTec1_006279 COC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2CCc3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N10 compound treatment 0.244 0.028 1.04 0.251 -3.08E-4 -0.01 0.7265 0.6975 3088223 TimTec1_006280 FC(F)(F)c1ccccc1C2NCc3ccccc3-n4cccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N11 compound treatment 0.243 0.027 1.0 0.251 -3.08E-4 -0.01 0.7002 0.6971 3212760 TimTec1_006281 COc1ccc(cc1OC)C2NC(=O)C(=C(S)N2c3ccccc3)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N12 compound treatment 0.244 0.028 1.04 0.249 -0.00231 -0.11 0.6617 0.6321 3088227 TimTec1_006282 CCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N13 compound treatment 0.245 0.029 1.08 0.256 0.00469 0.21 0.9146 0.8316 3212761 TimTec1_006283 FC(F)(F)C(=O)Nc1c(nnn1Cc2ccccc2)C(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N14 compound treatment 0.24 0.024 0.89 0.252 6.92E-4 0.03 0.6536 0.7318 3212762 TimTec1_006284 CN1C2=C(C(NC1=O)c3ccccc3)C(=O)N(CCc4ccccc4)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N15 compound treatment 0.249 0.033 1.23 0.255 0.00369 0.17 0.9875 0.797 3088229 TimTec1_006285 COc1cc2nc(NC(=N)N)nc(O)c2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N16 compound treatment 0.245 0.029 1.08 0.256 0.00469 0.21 0.9146 0.8316 3088230 TimTec1_006286 CCOC(=O)c1c(NC2=CC(=O)CCC2)sc3CCCCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N17 compound treatment 0.323 0.107 3.98 0.332 0.0807 3.69 5.4267 0.9993 3212763 TimTec1_006287 Brc1ccc(cc1)C2N(C(=O)C32CCCCC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N18 compound treatment 0.253 0.037 1.38 0.261 0.00969 0.44 1.2869 0.89 3212827 TimTec1_006288 COc1ccc(/C=C/C(=O)C2(O)CCCCC2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N19 compound treatment 0.298 0.082 3.05 0.306 0.0547 2.5 3.9274 0.9952 3088233 TimTec1_006289 Fc1cnc(Nc2ccccc2)nc1N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N20 compound treatment 0.239 0.023 0.86 0.257 0.00569 0.26 0.7892 0.8825 3212828 TimTec1_006290 O=C1CC(CN1)c2ccc(cc2)S(=O)(=O)NC3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N21 compound treatment 0.227 0.011 0.41 0.256 0.00469 0.21 0.4412 0.9548 3088235 TimTec1_006291 COc1ccccc1NC(=O)C2CC(=O)OC32CCOC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N22 compound treatment 0.235 0.019 0.71 0.253 0.00169 0.08 0.5545 0.78 3212829 TimTec1_006292 COC(=O)N1CCN(CC1)c2nc(cs2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N23 mock treatment 0.243 0.027 1.0 0.255 0.00369 0.17 0.8297 0.8147 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 N24 mock treatment 0.202 -0.014 -0.52 0.241 -0.0103 -0.47 -0.7019 -0.9988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O01 compound treatment 0.197 -0.019 -0.71 0.209 -0.0423 -1.94 -1.8695 -0.9066 3212830 TimTec1_006293 CC1(C)CN2C(N(C(=S)N2C1)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O02 compound treatment 0.22 0.004 0.15 0.247 -0.00431 -0.2 -0.0343 -0.1387 3088238 TimTec1_006294 COC(=O)c1noc(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O03 compound treatment 0.227 0.011 0.41 0.246 -0.00531 -0.24 0.1175 0.2468 3088239 TimTec1_006295 CN(C(=O)c1nc2ncccn2n1)c3ccc(OC(F)(F)F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O04 compound treatment 0.224 0.008 0.3 0.25 -0.00131 -0.06 0.1681 0.5537 3212831 TimTec1_006296 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc(Cl)cc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O05 compound treatment 0.242 0.026 0.97 0.258 0.00669 0.31 0.9005 0.8877 3212832 TimTec1_006297 COC(=O)CC/1=NN(C(=O)\C1=C(\C)/O)c2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O06 compound treatment 0.233 0.017 0.63 0.257 0.00569 0.26 0.6314 0.9232 3088242 TimTec1_006298 Sc1nnc(c2ccco2)n1Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O07 compound treatment 0.23 0.014 0.52 0.256 0.00469 0.21 0.5201 0.9233 3088243 TimTec1_006299 CC1(C)OC(=NC1=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O08 compound treatment 0.241 0.025 0.93 0.25 -0.00131 -0.06 0.6152 0.6602 3212833 TimTec1_006300 COc1ccc(cc1OC)C(=O)N2CCN(CC2)c3c(C)cccc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O09 compound treatment 0.237 0.021 0.78 0.253 0.00169 0.08 0.6071 0.7735 3088245 TimTec1_006301 OC(=O)CCc1ccc(o1)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O10 compound treatment 0.225 0.009 0.33 0.252 6.92E-4 0.03 0.2591 0.7706 3212834 TimTec1_006302 CC(=O)N1CCc2ccccc2C1CNC=C3C(=O)CC(CC3=O)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O11 compound treatment 0.249 0.033 1.23 0.254 0.00269 0.12 0.9551 0.7742 3088248 TimTec1_006303 C1Oc2ccc(cc2O1)C3NCc4ccccc4-n5cccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O12 compound treatment 0.242 0.026 0.97 0.258 0.00669 0.31 0.9005 0.8877 3212835 TimTec1_006304 CN(C)c1ccc(cc1)c2n[nH]c3CCCC(=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O13 compound treatment 0.231 0.015 0.56 0.259 0.00769 0.35 0.6436 0.9754 3212836 TimTec1_006305 CCN(C1CCCCC1)C(=O)c2cc3cc(Br)cc(OC)c3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O14 compound treatment 0.257 0.041 1.52 0.272 0.0207 0.95 1.7483 0.9738 3088319 TimTec1_006306 COc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O15 compound treatment 0.257 0.041 1.52 0.28 0.0287 1.31 2.0073 0.9972 3212837 TimTec1_006307 COc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O16 compound treatment 0.239 0.023 0.86 0.265 0.0137 0.63 1.0482 0.9883 3088323 TimTec1_006308 S=c1n(CN2CCOCC2)nc3CCCCCn31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O17 compound treatment 0.268 0.052 1.93 0.291 0.0397 1.82 2.6527 0.9995 3212838 TimTec1_006309 CCCNC(=O)Nc1ccc2c(c1)oc3ccccc32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O18 compound treatment 0.227 0.011 0.41 0.255 0.00369 0.17 0.4089 0.9235 3088325 TimTec1_006310 O=C1N(C2CCCCC2)C(=O)c3cnccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O19 compound treatment 0.229 0.013 0.48 0.253 0.00169 0.08 0.3967 0.8101 3212839 TimTec1_006311 C/C(=C\1/C(=NN(C1=O)c2nc3ccccc3s2)C)/NCCc4c(C)[nH]c5ccccc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O20 compound treatment 0.234 0.018 0.67 0.26 0.00869 0.4 0.7548 0.9691 3088326 TimTec1_006312 CN(C)C(=O)N1CCNCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O21 compound treatment 0.225 0.009 0.33 0.233 -0.0183 -0.84 -0.356 -0.3944 3088328 TimTec1_006313 CC1(C)OC(C)(C)/C(=C/c2ccc3cccnc3c2)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O22 compound treatment 0.259 0.043 1.6 0.28 0.0287 1.31 2.0599 0.9952 3212840 TimTec1_006314 N=C1OC23CCCCC3C1(C#N)C(C#N)(C#N)C(O2)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O23 mock treatment 0.23 0.014 0.52 0.256 0.00469 0.21 0.5201 0.9233 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 O24 mock treatment 0.188 -0.028 -1.04 0.207 -0.0443 -2.03 -2.1709 -0.952 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P01 compound treatment 0.169 -0.047 -1.75 0.188 -0.0633 -2.9 -3.2858 -0.9707 3088330 TimTec1_006315 CSc1nc2ccc(cc2s1)S(=O)(=O)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P02 compound treatment 0.195 -0.021 -0.78 0.209 -0.0423 -1.94 -1.9221 -0.9202 1180888 TimTec1_006316 O=C(C1Cc2ccccc2CN1S(=O)(=O)c3cccs3)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P03 compound treatment 0.199 -0.017 -0.63 0.222 -0.0293 -1.34 -1.396 -0.9411 3212841 TimTec1_006317 Fc1cc(Cl)c(cc1F)C(=O)Nc2cc(cc(c2)C(=O)N3CCOCC3)C(=O)N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P04 compound treatment 0.195 -0.021 -0.78 0.205 -0.0463 -2.12 -2.0516 -0.9079 3088333 TimTec1_006318 CN(CC(=O)Nc1ccc(NC(=O)C)cc1)S(=O)(=O)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P05 compound treatment 0.187 -0.029 -1.08 0.208 -0.0433 -1.98 -2.1649 -0.959 3088334 TimTec1_006319 CCCCS(=O)(=O)Nc1ccc2ncn(C)c(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P06 compound treatment 0.217 0.001 0.04 0.245 -0.00631 -0.29 -0.1779 -0.611 3212842 TimTec1_006320 Cc1cccc(C)c1NC(=S)NC2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P07 compound treatment 0.205 -0.011 -0.41 0.21 -0.0413 -1.89 -1.6267 -0.8406 3212843 TimTec1_006321 CCOC(=O)C1=C(N)N2C(=O)C(C)SC2=C(C1c3cccc(OC)c3)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P08 compound treatment 0.196 -0.02 -0.74 0.208 -0.0433 -1.98 -1.9282 -0.9104 3088336 TimTec1_006322 COc1nc(NCC2CCCO2)nc(n1)N3CC4CC(C3)c5cccc(=O)n5C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P09 compound treatment 0.225 0.009 0.33 0.223 -0.0283 -1.3 -0.6798 -0.5078 3212844 TimTec1_006323 CCOc1ccc(CCNC(=C2C(=O)CCCC2=O)CC)cc1OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P10 compound treatment 0.222 0.006 0.22 0.234 -0.0173 -0.79 -0.4026 -0.489 3212845 TimTec1_006324 CCc1ccc(cc1)C2Nc3ccccc3NC4=C2C(=O)CC(C)(C)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P11 compound treatment 0.209 -0.007 -0.26 0.23 -0.0213 -0.98 -0.874 -0.8655 3088339 TimTec1_006325 COC(=O)C1C(C)CC2=C(C(Nc3ccccc3N2)c4cccc(Br)c4)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P12 compound treatment 0.201 -0.015 -0.56 0.212 -0.0393 -1.8 -1.6672 -0.8848 3212846 TimTec1_006326 O=C(NCC1(CC2CC3CC(C2)C1)C3)c4nc5ncccn5n4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P13 compound treatment 0.208 -0.008 -0.3 0.225 -0.0263 -1.2 -1.0622 -0.8561 3088341 TimTec1_006327 CC1Cn2c(COc3ccccc3)nnc2S1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P14 compound treatment 0.21 -0.006 -0.22 0.219 -0.0323 -1.48 -1.2038 -0.8047 3212847 TimTec1_006328 CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(n1)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P15 compound treatment 0.211 -0.005 -0.19 0.226 -0.0253 -1.16 -0.9509 -0.8102 3088343 TimTec1_006329 CC(C)(C)NC(=O)CSc1nnnn1C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P16 compound treatment 0.204 -0.012 -0.45 0.225 -0.0263 -1.2 -1.1674 -0.9087 1353461 TimTec1_006330 OCC1CCCN(C1)C(=S)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P17 compound treatment 0.278 0.062 2.31 0.264 0.0127 0.58 2.0416 0.8585 3088414 TimTec1_006331 C1CCN(C1)c2nc(nc(n2)n3ccnc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P18 compound treatment 0.22 0.004 0.15 0.204 -0.0473 -2.17 -1.4264 -0.657 3212848 TimTec1_006332 CCOC(=O)[C@H]1NC(=O)C[C@H]1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P19 compound treatment 0.199 -0.017 -0.63 0.21 -0.0413 -1.89 -1.7845 -0.8948 3088418 TimTec1_006333 COc1ccc(cc1)C2=CC(NC(=S)N2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P20 compound treatment 0.182 -0.034 -1.26 0.218 -0.0333 -1.53 -1.9726 -0.9957 3212849 TimTec1_006334 CCCNC1=C(C(=O)Cc2ccc(OCC)c(OCC)c2)C(=O)CC(C)(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P21 compound treatment 0.191 -0.025 -0.93 0.233 -0.0183 -0.84 -1.2503 -0.9987 3212850 TimTec1_006335 O=C1CC(C2=C(CCCC2=O)N1c3ccccc3)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P22 compound treatment 0.181 -0.035 -1.3 0.217 -0.0343 -1.57 -2.0313 -0.9956 3088421 TimTec1_006336 CCn1c(=O)n(CC)c2cc(ccc12)S(=O)(=O)NC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P23 mock treatment 0.184 -0.032 -1.19 0.196 -0.0553 -2.53 -2.6323 -0.9407 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2080 P24 mock treatment 0.184 -0.032 -1.19 0.182 -0.0693 -3.17 -3.0856 -0.9104 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A01 compound treatment 0.17 -0.0807 -3.0 0.176 -0.0576 -2.64 -3.9884 -0.9979 3212851 TimTec1_006337 NC(=O)C(Cc1ccccc1)NC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A02 compound treatment 0.196 -0.0547 -2.04 0.186 -0.0476 -2.18 -2.9808 -0.9994 3088424 TimTec1_006338 CCCc1nc(Sc2nncn2C)c3sc(=S)n(c4ccccc4)c3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A03 compound treatment 0.214 -0.0367 -1.37 0.207 -0.0266 -1.22 -1.8275 -0.9984 3212852 TimTec1_006339 Fc1ccc(NC(=O)c2ccccc2NS(=O)(=O)N3CCCC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A04 compound treatment 0.224 -0.0267 -0.99 0.234 4.0E-4 0.02 -0.6904 -0.694 1402109 TimTec1_006340 Cc1ccc2n3CCN(CCC(=O)N)c4cccc(c2c1)c43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A05 compound treatment 0.2 -0.0507 -1.89 0.211 -0.0226 -1.03 -2.0662 -0.96 3088426 TimTec1_006341 Cc1ccc(cc1CNC(=O)c2ccco2)c3nn(C)c(=O)c4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A06 compound treatment 0.21 -0.0407 -1.52 0.214 -0.0196 -0.9 -1.7061 -0.9687 1292864 TimTec1_006342 CCSC1=C(C#N)C(=N)n2c1cc3CCCCc32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A07 compound treatment 0.225 -0.0257 -0.96 0.217 -0.0166 -0.76 -1.2145 -0.9935 3088428 TimTec1_006343 Cc1cc2NC(Nc3ccc(F)c(Cl)c3)Sn2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A08 compound treatment 0.224 -0.0267 -0.99 0.218 -0.0156 -0.71 -1.2084 -0.9868 3212922 TimTec1_006344 CC(C)(O)C#Cc1ccc(s1)C(=O)NCc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A09 compound treatment 0.213 -0.0377 -1.4 0.206 -0.0276 -1.26 -1.8862 -0.9986 3088430 TimTec1_006345 Cc1cc(c(C)s1)S(=O)(=O)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A10 compound treatment 0.214 -0.0367 -1.37 0.218 -0.0156 -0.71 -1.4714 -0.9542 1848161 TimTec1_006346 Cc1cc(C)c(C#N)c(SCC(=O)NC2CCCCC2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A11 compound treatment 0.227 -0.0237 -0.88 0.212 -0.0216 -0.99 -1.3237 -0.9984 3088432 TimTec1_006347 CCNC(=S)N1CCCC(C1)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A12 compound treatment 0.256 0.00526 0.2 0.248 0.0144 0.66 0.6045 0.879 3212923 TimTec1_006348 CCOc1ccc(NC(=S)N2CCSC2c3ccc(C#CC(C)(C)O)s3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A13 compound treatment 0.217 -0.0337 -1.25 0.213 -0.0206 -0.94 -1.5544 -0.9901 3088434 TimTec1_006349 OC(=O)CCc1cc(Cl)no1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A14 compound treatment 0.243 -0.00774 -0.29 0.202 -0.0316 -1.45 -1.2267 -0.8315 3212924 TimTec1_006350 COc1ccc(cc1)c2c(C)c3ccccc3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A15 compound treatment 0.222 -0.0287 -1.07 0.214 -0.0196 -0.9 -1.3905 -0.9962 3212925 TimTec1_006351 FC(F)(F)c1ccccc1N2C(=O)CC(C3=C2CCCC3=O)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A16 compound treatment 0.235 -0.0157 -0.59 0.218 -0.0156 -0.71 -0.9191 -0.9951 3088437 TimTec1_006352 CCOc1ccc(cc1)c2cc3ccc(cc3oc2=O)N(CC)CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A17 compound treatment 0.575 0.324 12.06 0.514 0.28 12.84 17.6066 0.9995 3088438 TimTec1_006353 O=C/1NC(=N\C1=C/c2ccco2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A18 compound treatment 0.2 -0.0507 -1.89 0.204 -0.0296 -1.36 -2.2929 -0.9868 3212926 TimTec1_006354 CC(=O)n1c(=O)sc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A19 compound treatment 0.233 -0.0177 -0.66 0.209 -0.0246 -1.13 -1.2631 -0.9675 3212927 TimTec1_006355 COc1ccc(cc1)C2OCc3ccccc3N2C(=O)c4cccc(OC)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A20 compound treatment 0.284 0.0333 1.24 0.282 0.0484 2.22 2.4418 0.9621 1648398 TimTec1_006356 Oc1ccc2ccccc2c1C(NC(=O)C3CCCCC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A21 compound treatment 0.213 -0.0377 -1.4 0.199 -0.0346 -1.58 -2.1128 -0.9982 3088507 TimTec1_006357 CCN(CC)C(=O)Cn1nnc(n1)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A22 compound treatment 0.204 -0.0467 -1.74 0.205 -0.0286 -1.31 -2.1553 -0.9902 1222563 TimTec1_006358 CC(Oc1ccccc1)C(=O)Nc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A23 mock treatment 0.178 -0.0727 -2.71 0.184 -0.0496 -2.27 -3.519 -0.9962 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 A24 mock treatment 0.186 -0.0647 -2.41 0.177 -0.0566 -2.59 -3.5352 -0.9993 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B01 compound treatment 0.212 -0.0387 -1.44 0.21 -0.0236 -1.08 -1.783 -0.9899 1265521 TimTec1_006359 O=C(CCc1ccccc1)c2ccc3OCCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B02 compound treatment 0.255 0.00426 0.16 0.253 0.0194 0.89 0.7401 0.8203 1216112 TimTec1_006360 Cc1nn(c2CC3C(c12)C3(C)C)c4ccccn4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B03 compound treatment 0.328 0.0773 2.87 0.329 0.0954 4.37 5.1207 0.9794 1782446 TimTec1_006361 NC(=C(C#N)C#N)/C(=C/c1c[nH]c2ccccc12)/C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B04 compound treatment 0.295 0.0443 1.65 0.286 0.0524 2.4 2.8606 0.9831 1431158 TimTec1_006362 CCN(CC)c1ccc2c(cc(=O)oc2c1)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B05 compound treatment 0.259 0.00826 0.31 0.26 0.0264 1.21 1.072 0.8595 1471466 TimTec1_006363 COc1ccc2[nH]c3C(=O)NC(C)Cc3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B06 compound treatment 0.253 0.00226 0.08 0.251 0.0174 0.8 0.6228 0.7774 1510603 TimTec1_006364 COc1ccc(CNc2ccc(C)c(C)c2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B07 compound treatment 0.26 0.00926 0.34 0.262 0.0284 1.3 1.163 0.8646 1598446 TimTec1_006365 Brc1ccc(NC(=O)C2(CCCC2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B08 compound treatment 0.318 0.0673 2.5 0.301 0.0674 3.09 3.9511 0.9946 1697979 TimTec1_006366 O=C(Nc1ccccc1)C2CC3c4ccccc4C2c5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B09 compound treatment 0.264 0.0133 0.49 0.259 0.0254 1.16 1.1711 0.9271 1393320 TimTec1_006367 OC(=O)CC(Cc1ccc(Cl)cc1)C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B10 compound treatment 0.26 0.00926 0.34 0.261 0.0274 1.25 1.1306 0.8691 1217422 TimTec1_006368 CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc3CCC(C)Cc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B11 compound treatment 0.261 0.0103 0.38 0.262 0.0284 1.3 1.1893 0.8776 3088515 TimTec1_006369 OC(=O)/C(=C\c1cccs1)/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B12 compound treatment 0.261 0.0103 0.38 0.263 0.0294 1.35 1.2217 0.8731 1183980 TimTec1_006370 CN1C(C(=C(O)C1=O)C(=O)c2ccc(C)cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B13 compound treatment 0.301 0.0503 1.87 0.283 0.0494 2.26 2.9213 0.9955 1620531 TimTec1_006371 CCc1nc(N)c(C#N)c(c1C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B14 compound treatment 0.258 0.00726 0.27 0.296 0.0624 2.86 2.2112 0.7705 3212929 TimTec1_006372 CCCCn1c2nc(cn2c3ccccc13)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B15 compound treatment 0.26 0.00926 0.34 0.259 0.0254 1.16 1.0659 0.8788 1922330 TimTec1_006373 COC(=O)CCS(=O)(=O)c1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B16 compound treatment 0.292 0.0413 1.53 0.277 0.0434 1.99 2.4903 0.9918 3088518 TimTec1_006374 Clc1ccc(cc1)c2cn3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B17 compound treatment 0.31 0.0593 2.2 0.301 0.0674 3.09 3.7407 0.9864 1683391 TimTec1_006375 Clc1ccc(cc1Cl)N2Cc3ccccc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B18 compound treatment 0.295 0.0443 1.65 0.279 0.0454 2.08 2.6339 0.9933 1131054 TimTec1_006376 Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)c(O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B19 compound treatment 0.258 0.00726 0.27 0.259 0.0254 1.16 1.0133 0.8487 1106472 TimTec1_006377 COC(=O)c1ccc(C)c(c1)N(CCO)CCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B20 compound treatment 0.263 0.0123 0.46 0.262 0.0284 1.3 1.2419 0.9013 3088521 TimTec1_006378 c1sc(nc1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B21 compound treatment 0.247 -0.00374 -0.14 0.25 0.0164 0.75 0.4326 0.5664 1414393 TimTec1_006379 COc1cc2CCN(Cc2cc1OC)C(=O)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B22 compound treatment 0.287 0.0363 1.35 0.274 0.0404 1.85 2.2617 0.9879 3088523 TimTec1_006380 CC(C)COc1ccc2[nH]c3CCCc3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B23 mock treatment 0.257 0.00626 0.23 0.255 0.0214 0.98 0.8575 0.8514 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 B24 mock treatment 0.241 -0.00974 -0.36 0.21 -0.0236 -1.08 -1.0203 -0.8952 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C01 compound treatment 0.208 -0.0427 -1.59 0.232 -0.0016 -0.07 -1.1759 -0.7389 3212930 TimTec1_006381 CCn1c(=O)n(CC)c2cc(ccc12)S(=O)(=O)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C02 compound treatment 0.246 -0.00474 -0.18 0.244 0.0104 0.48 0.212 0.4176 3088525 TimTec1_006382 CC1(C)OC(=O)N(CC(=O)Nc2ccc(F)cc2)C1(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C03 compound treatment 0.29 0.0393 1.46 0.293 0.0594 2.72 2.9557 0.9575 3212931 TimTec1_006383 Fc1ccc(cc1)c2cn3c(c(nc3[nH]2)c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C04 compound treatment 0.249 -0.00174 -0.06 0.245 0.0114 0.52 0.3233 0.6147 3212932 TimTec1_006384 COCC(=O)Nc1ccc(CC#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C05 compound treatment 0.235 -0.0157 -0.59 0.237 0.0034 0.16 -0.3039 -0.5017 3212933 TimTec1_006385 Cc1ccc(cc1)c2nn(CC(=O)Nc3cccnc3)c(=O)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C06 compound treatment 0.247 -0.00374 -0.14 0.248 0.0144 0.66 0.3678 0.5459 3087470 TimTec1_006386 CC1CN(CC(C)O1)C(=O)c2scc3OCCOc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C07 compound treatment 0.277 0.0263 0.98 0.279 0.0454 2.08 2.1605 0.9407 3212934 TimTec1_006387 O=C(OCc1ccccc1)c2cccc(c2)c3nnn(Cc4ccccc4)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C08 compound treatment 0.246 -0.00474 -0.18 0.244 0.0104 0.48 0.212 0.4176 3087472 TimTec1_006388 COc1ccc(cc1)C(=O)Oc2c(C)cc(cc2C)C(O)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C09 compound treatment 0.243 -0.00774 -0.29 0.244 0.0104 0.48 0.1331 0.2392 3212935 TimTec1_006389 NC(=O)c1cccc(c1)S(=O)(=O)N2CC(CC2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C10 compound treatment 0.246 -0.00474 -0.18 0.246 0.0124 0.57 0.2768 0.4656 3087474 TimTec1_006390 NN(C(=O)N)c1nc(nc(n1)N2CCCCC2)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C11 compound treatment 0.269 0.0183 0.68 0.267 0.0334 1.53 1.5616 0.9332 3212936 TimTec1_006391 Clc1ccc2[nH]c(=O)c(N3CCCC3)c(c4ccccc4)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C12 compound treatment 0.245 -0.00574 -0.21 0.253 0.0194 0.89 0.4771 0.5223 3212937 TimTec1_006392 CCOC(=O)c1c(N)nn(C(=O)CC)c1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C13 compound treatment 0.314 0.0633 2.35 0.311 0.0774 3.54 4.1697 0.9802 2103793 TimTec1_006393 COc1ccc(/C=C/C(=O)\C=C\c2ccc(OC)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C14 compound treatment 0.251 2.59E-4 0.01 0.251 0.0174 0.8 0.5702 0.7156 3087477 TimTec1_006394 Cc1ccc2c(C)c(c3ccccc3)c(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C15 compound treatment 0.24 -0.0107 -0.4 0.243 0.0094 0.43 0.0218 0.0372 3212938 TimTec1_006395 CCOC(=O)C1C(CC(=CC1=O)N2CCOCC2)c3cccc(OC)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C16 compound treatment 0.255 0.00426 0.16 0.255 0.0214 0.98 0.8049 0.8109 3087479 TimTec1_006396 Cc1c(CC(=O)O)c(=O)oc2c(O)c(O)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C17 compound treatment 0.248 -0.00274 -0.1 0.255 0.0214 0.98 0.6208 0.6301 3212939 TimTec1_006397 COc1cc2c(cc1NS(=O)(=O)c3ccc(cc3)N4CCCC4=O)oc5ccccc52 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C18 compound treatment 0.255 0.00426 0.16 0.255 0.0214 0.98 0.8049 0.8109 1047503 TimTec1_006398 OC(=O)c1ccccc1C(=O)c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C19 compound treatment 0.243 -0.00774 -0.29 0.239 0.0054 0.25 -0.0288 -0.0758 3212940 TimTec1_006399 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)Nc4cc(OC)c(OC)cc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C20 compound treatment 0.26 0.00926 0.34 0.251 0.0174 0.8 0.8069 0.9296 1299646 TimTec1_006400 Cc1ccc(cc1)C(=O)Nc2ccc(Cl)cn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C21 compound treatment 0.242 -0.00874 -0.33 0.245 0.0114 0.52 0.1392 0.2264 3087483 TimTec1_006401 CCN1C(=O)OC(C)(CCc2ccccc2)C1(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C22 compound treatment 0.268 0.0173 0.64 0.249 0.0154 0.71 0.9525 0.9989 1518127 TimTec1_006402 CC(NC(=O)Cc1ccc(Br)cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C23 mock treatment 0.243 -0.00774 -0.29 0.242 0.0084 0.38 0.0684 0.1423 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 C24 mock treatment 0.215 -0.0357 -1.33 0.216 -0.0176 -0.81 -1.5098 -0.9712 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D01 compound treatment 0.304 0.0533 1.98 0.295 0.0614 2.81 3.3887 0.9853 1621697 TimTec1_006403 Clc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc4ccc(Cl)cc4)n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D02 compound treatment 0.249 -0.00174 -0.06 0.248 0.0144 0.66 0.4204 0.6346 1652889 TimTec1_006404 CC(C)COc1ccc(cc1)C(O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D03 compound treatment 0.269 0.0183 0.68 0.27 0.0364 1.67 1.6587 0.9217 3211230 TimTec1_006405 COc1ccc(/C=N/c2c(nc3ccccn23)c4ccco4)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D04 compound treatment 0.252 0.00126 0.05 0.259 0.0254 1.16 0.8555 0.735 1434704 TimTec1_006406 OC(=O)c1ccc(CN2CCCCC2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D05 compound treatment 0.258 0.00726 0.27 0.253 0.0194 0.89 0.819 0.8822 3087486 TimTec1_006407 CCCCc1ccc(NC(=O)C(C)CC)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D06 compound treatment 0.281 0.0303 1.13 0.282 0.0484 2.22 2.3629 0.9506 1411188 TimTec1_006408 CCOc1ccc(NC(=O)c2c3CCCCc3nc4ccccc24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D07 compound treatment 0.262 0.0113 0.42 0.256 0.0224 1.03 1.0214 0.9219 1481913 TimTec1_006409 CCOC(=O)C(Cc1ccccc1)C(=O)Nc2ccccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D08 compound treatment 0.257 0.00626 0.23 0.259 0.0254 1.16 0.987 0.8321 3211231 TimTec1_006410 COC(=O)CSc1cc(C)nc(N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D09 compound treatment 0.258 0.00726 0.27 0.255 0.0214 0.98 0.8838 0.8695 1332614 TimTec1_006411 CN(C)CCOC(=O)c1sc2ccccc2c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D10 compound treatment 0.289 0.0383 1.42 0.283 0.0494 2.26 2.6056 0.9751 1699312 TimTec1_006412 CC(=O)Nc1sc2CCCCCc2c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D11 compound treatment 0.258 0.00726 0.27 0.256 0.0224 1.03 0.9162 0.8638 1281983 TimTec1_006413 COc1cc(N)ccc1NC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D12 compound treatment 0.333 0.0823 3.06 0.347 0.113 5.19 5.835 0.9682 3211232 TimTec1_006414 Brc1ccc(cc1)c2cc3-c4ccccc4CCn3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D13 compound treatment 0.326 0.0753 2.8 0.314 0.0804 3.68 4.5824 0.9909 1235800 TimTec1_006415 N(c1ccccc1)c2nc(nc3ccccc23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D14 compound treatment 0.251 2.59E-4 0.01 0.258 0.0244 1.12 0.7968 0.7132 1261113 TimTec1_006416 OC(=O)C1CCCCC1C(=O)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D15 compound treatment 0.254 0.00326 0.12 0.255 0.0214 0.98 0.7786 0.7886 1120499 TimTec1_006417 O=C(CCN1Cc2ccccc2C1)c3ccc4OCCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D16 compound treatment 0.284 0.0333 1.24 0.284 0.0504 2.31 2.5065 0.9573 3211233 TimTec1_006418 Cc1ccc(NC2=CC(=O)CC(C2)c3ccc(Cl)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D17 compound treatment 0.258 0.00726 0.27 0.261 0.0274 1.25 1.078 0.8401 1314383 TimTec1_006419 O=C(COc1ccc2ccccc2c1)N3CCNCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D18 compound treatment 0.285 0.0343 1.27 0.28 0.0464 2.12 2.4033 0.9701 3211234 TimTec1_006420 CC(=O)N/C(=C/c1ccccc1)/C(=O)Nc2ccc(C)c(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D19 compound treatment 0.246 -0.00474 -0.18 0.248 0.0144 0.66 0.3415 0.5004 1461637 TimTec1_006421 CCC1C(NC(CC1(O)CC=C)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D20 compound treatment 0.234 -0.0167 -0.62 0.231 -0.0026 -0.12 -0.5245 -0.8273 1679474 TimTec1_006422 CC1=C(CC(=C(C)N1)C(=O)c2ccccc2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D21 compound treatment 0.251 2.59E-4 0.01 0.251 0.0174 0.8 0.5702 0.7156 1577332 TimTec1_006423 CC1(C)Cc2nc(N3CCCC3)c(C#N)cc2CO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D22 compound treatment 0.253 0.00226 0.08 0.251 0.0174 0.8 0.6228 0.7774 3088079 TimTec1_006424 CN(C)C(=O)CCSc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D23 mock treatment 0.256 0.00526 0.2 0.254 0.0204 0.93 0.7988 0.837 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 D24 mock treatment 0.245 -0.00574 -0.21 0.232 -0.0016 -0.07 -0.2028 -0.8983 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E01 compound treatment 0.24 -0.0107 -0.4 0.244 0.0104 0.48 0.0542 0.0872 3211235 TimTec1_006425 Cc1nc(C)c(C(=O)O)c(c2ccc(F)cc2)c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E02 compound treatment 0.262 0.0113 0.42 0.262 0.0284 1.3 1.2156 0.8898 3088081 TimTec1_006426 CCOc1nc(C)nc2n(C)c(=S)sc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E03 compound treatment 0.25 -7.41E-4 -0.03 0.25 0.0164 0.75 0.5115 0.6807 3088082 TimTec1_006427 CC(C)(C)C(N)Cn1ccnc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E04 compound treatment 0.259 0.00826 0.31 0.257 0.0234 1.07 0.9748 0.8746 3211236 TimTec1_006428 NC(=O)c1cc2ccccc2nc1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E05 compound treatment 0.242 -0.00874 -0.33 0.248 0.0144 0.66 0.2363 0.3215 1461983 TimTec1_006429 CC(C)NC(=S)N1CCC(Cc2ccccc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E06 compound treatment 0.265 0.0143 0.53 0.264 0.0304 1.39 1.3593 0.9125 3211237 TimTec1_006430 CC12CCC3C(CC=C4CC(O)CCC34C)C2C/C(=C\c5ccc(cc5)C(F)(F)F)/C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E07 compound treatment 0.264 0.0133 0.49 0.26 0.0264 1.21 1.2035 0.9218 3088086 TimTec1_006431 CCOC(=O)Cn1nnc(n1)c2ccc(OCc3ccccc3F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E08 compound treatment 0.268 0.0173 0.64 0.262 0.0284 1.3 1.3734 0.9471 3088087 TimTec1_006432 CC(=O)Oc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E09 compound treatment 0.258 0.00726 0.27 0.257 0.0234 1.07 0.9485 0.8585 3211238 TimTec1_006433 COC(=O)/N=c/1\[cH-][n+](no1)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E10 compound treatment 0.255 0.00426 0.16 0.257 0.0234 1.07 0.8696 0.8029 3088089 TimTec1_006434 N#Cc1c(SCc2nc3ccccc3[nH]2)nc(cc1c4ccco4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E11 compound treatment 0.251 2.59E-4 0.01 0.256 0.0224 1.03 0.732 0.7137 1643293 TimTec1_006435 S=C(Nc1cccnc1)N2CCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E12 compound treatment 0.262 0.0113 0.42 0.262 0.0284 1.3 1.2156 0.8898 3211239 TimTec1_006436 CCS(=O)(=O)c1nnnn1c2ccccc2S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E13 compound treatment 0.261 0.0103 0.38 0.256 0.0224 1.03 0.9951 0.9093 3088092 TimTec1_006437 CC1Cc2scc[n+]2-c3ccccc3N1C=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E14 compound treatment 0.315 0.0643 2.39 0.307 0.0734 3.36 4.0665 0.9861 3211240 TimTec1_006438 Cc1c(c2ccc(Br)cc2)c(=O)oc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E15 compound treatment 0.25 -7.41E-4 -0.03 0.247 0.0134 0.61 0.4144 0.6747 1314711 TimTec1_006439 Oc1cccc(NC(=S)Nc2cccnc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E16 compound treatment 0.304 0.0533 1.98 0.307 0.0734 3.36 3.7772 0.9682 3088158 TimTec1_006440 CCC(=O)c1cc(N)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E17 compound treatment 0.26 0.00926 0.34 0.264 0.0304 1.39 1.2278 0.8562 3088160 TimTec1_006441 COC(=O)C(NS(=O)(=O)c1ccc(cc1)N2CCCC2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E18 compound treatment 0.265 0.0143 0.53 0.268 0.0344 1.58 1.4888 0.8958 1280834 TimTec1_006442 O=C(c1ccc2[nH]c(=O)oc2c1)c3ccc4[nH]c(=O)oc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E19 compound treatment 0.251 2.59E-4 0.01 0.254 0.0204 0.93 0.6673 0.7144 3088162 TimTec1_006443 Cc1cn(CCOc2ccc(Cl)cc2)c(=O)[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E20 compound treatment 0.278 0.0273 1.01 0.281 0.0474 2.17 2.2516 0.9399 1786935 TimTec1_006444 COc1ccc2nc(C)cc(SCC(=O)c3ccc(Cl)cc3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E21 compound treatment 0.249 -0.00174 -0.06 0.251 0.0174 0.8 0.5176 0.6475 3088165 TimTec1_006445 CCn1c2sc(C)nc2c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E22 compound treatment 0.278 0.0273 1.01 0.264 0.0304 1.39 1.7012 0.9879 1187778 TimTec1_006446 CCc1ccccc1NC(=O)Cc2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E23 mock treatment 0.254 0.00326 0.12 0.255 0.0214 0.98 0.7786 0.7886 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 E24 mock treatment 0.253 0.00226 0.08 0.218 -0.0156 -0.71 -0.4457 -0.6196 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F01 compound treatment 0.241 -0.00974 -0.36 0.23 -0.0036 -0.16 -0.3727 -0.9364 1527015 TimTec1_006447 CC(C)Nc1nc(NC(C)C)nc(Nn2cnnc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F02 compound treatment 0.257 0.00626 0.23 0.259 0.0254 1.16 0.987 0.8321 3088167 TimTec1_006448 OC(=O)c1ccccc1C(=O)NCCCn2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F03 compound treatment 0.268 0.0173 0.64 0.268 0.0344 1.58 1.5677 0.9217 1774253 TimTec1_006449 CC(=C)C1Cc2cc3ccc(=O)oc3cc2O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F04 compound treatment 0.365 0.114 4.25 0.359 0.125 5.74 7.0651 0.989 1327284 TimTec1_006450 O=C(Nc1ccc(cc1)c2csc(n2)c3ccccc3)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F05 compound treatment 0.276 0.0253 0.94 0.275 0.0414 1.9 2.0047 0.9476 3211241 TimTec1_006451 CCC(C)(C)C(=O)NC(c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F06 compound treatment 0.267 0.0163 0.6 0.259 0.0254 1.16 1.25 0.9536 1238234 TimTec1_006452 Cc1cc(C)n(n1)c2cc(Nc3ccc(C)cc3)nc(n2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F07 compound treatment 0.283 0.0323 1.2 0.268 0.0344 1.58 1.9622 0.991 1039376 TimTec1_006453 CCOC(=O)CNc1cccc(c1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F08 compound treatment 0.287 0.0363 1.35 0.329 0.0954 4.37 4.0424 0.8842 1251321 TimTec1_006454 Oc1c(C(=O)NCc2cccnc2)c(=O)n(CC=C)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F09 compound treatment 0.251 2.59E-4 0.01 0.257 0.0234 1.07 0.7644 0.7134 3211242 TimTec1_006455 OC(CC#CCN1CCCC1)(C2CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F10 compound treatment 0.258 0.00726 0.27 0.255 0.0214 0.98 0.8838 0.8695 1460065 TimTec1_006456 COc1ccc(OCc2nc3ccccc3n2CC(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F11 compound treatment 0.259 0.00826 0.31 0.262 0.0284 1.3 1.1367 0.8507 1200425 TimTec1_006457 CC(=O)N1NC(CC1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F12 compound treatment 0.36 0.109 4.06 0.35 0.116 5.33 6.6422 0.991 1370319 TimTec1_006458 C=CCn1c(=O)c2c3CCCCc3sc2[nH]c1=S 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F13 compound treatment 0.301 0.0503 1.87 0.282 0.0484 2.22 2.8889 0.9964 3211243 TimTec1_006459 Cc1cc(Oc2ccccc2)nc(n1)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F14 compound treatment 0.28 0.0293 1.09 0.276 0.0424 1.94 2.1423 0.9626 1175134 TimTec1_006460 Nc1nc(cs1)c2ccc(OCc3ccc(Br)cc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F15 compound treatment 0.506 0.255 9.49 0.499 0.265 12.15 15.3062 0.9925 3088175 TimTec1_006461 COc1ccc(cc1)[S+]2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F16 compound treatment 0.259 0.00826 0.31 0.262 0.0284 1.3 1.1367 0.8507 1456348 TimTec1_006462 O=C(N1CCOCC1)C2(CC3CC4C2)CC(C3)CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F17 compound treatment 0.281 0.0303 1.13 0.282 0.0484 2.22 2.3629 0.9506 1618640 TimTec1_006463 Cc1sc2ncnc(NCc3cccnc3)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F18 compound treatment 0.25 -7.41E-4 -0.03 0.258 0.0244 1.12 0.7705 0.6895 1467012 TimTec1_006464 COc1ccc(NC(=O)C2CCCCN2N)cc1OCC(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F19 compound treatment 0.289 0.0383 1.42 0.284 0.0504 2.31 2.638 0.973 1706198 TimTec1_006465 CCC(=O)N1C(CC2CC=C(C)C2(C)C)C3=C(CC(C)(C)CC3=O)Nc4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F20 compound treatment 0.266 0.0153 0.57 0.265 0.0314 1.44 1.4179 0.9174 1345040 TimTec1_006466 CCN(CC)c1ccc2cc(c3nnc(o3)c4cccnc4)c(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F21 compound treatment 0.262 0.0113 0.42 0.265 0.0314 1.44 1.3127 0.8766 1688068 TimTec1_006467 NC(=O)c1ccccc1NC(=O)CCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F22 compound treatment 0.256 0.00526 0.2 0.255 0.0214 0.98 0.8312 0.8319 3248073 TimTec1_006468 Cc1n[nH]c(C)c1[C@]2(C[C@H]3C[C@H]4C[C@H](C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F23 mock treatment 0.262 0.0113 0.42 0.257 0.0234 1.07 1.0537 0.916 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 F24 mock treatment 0.254 0.00326 0.12 0.229 -0.0046 -0.21 -0.0632 -0.2601 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G01 compound treatment 0.234 -0.0167 -0.62 0.237 0.0034 0.16 -0.3302 -0.5145 3211441 TimTec1_006469 CCn1c(=O)n(CC)c2cc(ccc12)S(=O)(=O)N3CCc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G02 compound treatment 0.262 0.0113 0.42 0.259 0.0254 1.16 1.1185 0.9049 3088256 TimTec1_006470 Fc1ccc(OC(=O)c2nsc(Cl)c2Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G03 compound treatment 0.244 -0.00674 -0.25 0.246 0.0124 0.57 0.2242 0.3612 3211442 TimTec1_006471 CC(C)(C)C(CN1CCCC1)OC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G04 compound treatment 0.254 0.00326 0.12 0.253 0.0194 0.89 0.7138 0.7962 3088258 TimTec1_006472 NC(=N)NC(=N)N1N=CCC1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G05 compound treatment 0.253 0.00226 0.08 0.252 0.0184 0.84 0.6551 0.7738 3211443 TimTec1_006473 Cc1ccc(cc1)C(=O)OCC2OC3OC(C)(C)OC3C2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G06 compound treatment 0.261 0.0103 0.38 0.264 0.0304 1.39 1.2541 0.8689 3211444 TimTec1_006474 NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G07 compound treatment 0.259 0.00826 0.31 0.257 0.0234 1.07 0.9748 0.8746 1310353 TimTec1_006475 S=C(NC1CCCCCCC1)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G08 compound treatment 0.266 0.0153 0.57 0.261 0.0274 1.25 1.2884 0.9357 3088261 TimTec1_006476 CC(=O)Oc1ccc(C)cc1C(O)(C(F)(F)F)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G09 compound treatment 0.256 0.00526 0.2 0.258 0.0244 1.12 0.9283 0.8185 3211445 TimTec1_006477 CSC1=NC(C)(C)CC2(CC(c3cccs3)c4ccc(O)c(O)c4O2)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G10 compound treatment 0.27 0.0193 0.72 0.266 0.0324 1.48 1.5555 0.9442 3088263 TimTec1_006478 Cc1cc(=O)[nH]c2n(nc(O)c12)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G11 compound treatment 0.266 0.0153 0.57 0.269 0.0354 1.62 1.5475 0.9011 3211446 TimTec1_006479 CCCN(CC1CC1)C(=S)Nc2cccc(C)c2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G12 compound treatment 0.261 0.0103 0.38 0.268 0.0344 1.58 1.3836 0.8537 3088265 TimTec1_006480 OC(=O)c1cc(=O)c2cc(Br)ccc2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G13 compound treatment 0.273 0.0223 0.83 0.269 0.0354 1.62 1.7316 0.9514 3211447 TimTec1_006481 CCOc1cc2CNC(c3cccn3-c2cc1OCC)c4c(O)cccc4OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G14 compound treatment 0.262 0.0113 0.42 0.258 0.0244 1.12 1.0861 0.9103 1098644 TimTec1_006482 C=CCOc1ccc2ccc(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G15 compound treatment 0.251 2.59E-4 0.01 0.25 0.0164 0.75 0.5378 0.7161 3211448 TimTec1_006483 O=C(Cc1ccccc1)N2CCN(CC2)c3nc4ccccc4o3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G16 compound treatment 0.271 0.0203 0.75 0.27 0.0364 1.67 1.7113 0.9356 1202156 TimTec1_006484 CCC(C)n1ncn(c2ccc(cc2)N3CCN(CC3)c4ccc(OC)cc4)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G17 compound treatment 0.26 0.00926 0.34 0.26 0.0264 1.21 1.0983 0.8738 3088269 TimTec1_006485 CC1CCc2c(C1)sc3nc(SCc4nc(no4)c5ccccc5)n(C)c(=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G18 compound treatment 0.28 0.0293 1.09 0.279 0.0454 2.08 2.2394 0.9544 3211449 TimTec1_006486 COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G19 compound treatment 0.252 0.00126 0.05 0.251 0.0174 0.8 0.5965 0.7474 3211450 TimTec1_006487 CCNc1nc(NCC)n2c(SCC(=O)c3cccs3)nnc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G20 compound treatment 0.258 0.00726 0.27 0.259 0.0254 1.16 1.0133 0.8487 3088271 TimTec1_006488 Cc1ccc(SCC(=O)Nc2ccc(C)cc2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G21 compound treatment 0.249 -0.00174 -0.06 0.251 0.0174 0.8 0.5176 0.6475 3211451 TimTec1_006489 Fc1ccc(NC2=CC(CC2=O)N3CCCCC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G22 compound treatment 0.255 0.00426 0.16 0.254 0.0204 0.93 0.7725 0.8154 1498860 TimTec1_006490 C(C1Cc2ccccc2O1)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G23 mock treatment 0.251 2.59E-4 0.01 0.252 0.0184 0.84 0.6025 0.7152 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 G24 mock treatment 0.256 0.00526 0.2 0.218 -0.0156 -0.71 -0.3667 -0.4952 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H01 compound treatment 0.246 -0.00474 -0.18 0.234 4.0E-4 0.02 -0.1117 -0.6303 1353778 TimTec1_006491 CCOC(=O)CC1(CCOC(C)(C)C1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H02 compound treatment 0.247 -0.00374 -0.14 0.252 0.0184 0.84 0.4973 0.5824 1342963 TimTec1_006492 CN1CCC2(CCN(Cc3ccccc3)C2)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H03 compound treatment 0.257 0.00626 0.23 0.256 0.0224 1.03 0.8899 0.8461 3211452 TimTec1_006493 Cc1cc(nc(c1C)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H04 compound treatment 0.263 0.0123 0.46 0.262 0.0284 1.3 1.2419 0.9013 1735148 TimTec1_006494 Cc1cccc(Nc2cc(C)nc3ccccc23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H05 compound treatment 0.278 0.0273 1.01 0.282 0.0484 2.22 2.284 0.9372 3088347 TimTec1_006495 CCOC(=O)c1c(C)n(C)c2ccc(OCC)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H06 compound treatment 0.284 0.0333 1.24 0.295 0.0614 2.81 2.8627 0.932 3211453 TimTec1_006496 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)Nc3cccc4ccccc34)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H07 compound treatment 0.257 0.00626 0.23 0.259 0.0254 1.16 0.987 0.8321 1313366 TimTec1_006497 CCOc1ccc(CNC2CCCc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H08 compound treatment 0.303 0.0523 1.94 0.3 0.0664 3.04 3.5243 0.9766 3211454 TimTec1_006498 NC1=C(C#N)C(C(=C(N)S1)C#N)c2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H09 compound treatment 0.254 0.00326 0.12 0.256 0.0224 1.03 0.811 0.7852 1379894 TimTec1_006499 CC(=O)Nc1cccc(c1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H10 compound treatment 0.29 0.0393 1.46 0.3 0.0664 3.04 3.1823 0.9435 3088351 TimTec1_006500 COc1ccc(cc1)c2c(C)oc3ccc(C)cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H11 compound treatment 0.321 0.0703 2.61 0.315 0.0814 3.73 4.4833 0.9849 1710850 TimTec1_006501 CCCc1cc(O)c2c(C)cc(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H12 compound treatment 0.25 -7.41E-4 -0.03 0.254 0.0204 0.93 0.641 0.686 3211455 TimTec1_006502 Cc1ccc(cc1)C(=O)NCCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H13 compound treatment 0.34 0.0893 3.32 0.321 0.0874 4.0 5.1773 0.9957 1733570 TimTec1_006503 Cc1ccc(Nc2nnc(c3ccccc3)c4ccccc24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H14 compound treatment 0.255 0.00426 0.16 0.25 0.0164 0.75 0.643 0.8378 1118121 TimTec1_006504 CC1(C)CC(=C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H15 compound treatment 0.26 0.00926 0.34 0.261 0.0274 1.25 1.1306 0.8691 1591866 TimTec1_006505 O=S1(=O)CCC(C1)NC2CCS(=O)(=O)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H16 compound treatment 0.255 0.00426 0.16 0.26 0.0264 1.21 0.9668 0.793 3088354 TimTec1_006506 CC(C)(C)S(=O)(=O)c1ccc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H17 compound treatment 0.287 0.0363 1.35 0.285 0.0514 2.35 2.6178 0.9651 1442109 TimTec1_006507 CCC1C(=C(NC2=C1C(=O)CC(C)(C)C2)SC)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H18 compound treatment 0.249 -0.00174 -0.06 0.253 0.0194 0.89 0.5823 0.6538 1161095 TimTec1_006508 COc1cccc(CNC2CCCC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H19 compound treatment 0.256 0.00526 0.2 0.252 0.0184 0.84 0.734 0.8487 1180009 TimTec1_006509 Brc1ccc(o1)C(=O)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H20 compound treatment 0.257 0.00626 0.23 0.255 0.0214 0.98 0.8575 0.8514 1788667 TimTec1_006510 COCC(C)NC(=O)c1c(C)onc1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H21 compound treatment 0.257 0.00626 0.23 0.26 0.0264 1.21 1.0194 0.8281 1569691 TimTec1_006511 CC(C)CC(=O)NCc1ccc2OCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H22 compound treatment 0.295 0.0443 1.65 0.284 0.0504 2.31 2.7958 0.9863 1573756 TimTec1_006512 OCCNc1nc2-c3ccccc3CC4(CCCCC4)c2c(=O)n1Cc5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H23 mock treatment 0.26 0.00926 0.34 0.26 0.0264 1.21 1.0983 0.8738 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 H24 mock treatment 0.256 0.00526 0.2 0.209 -0.0246 -1.13 -0.6581 -0.5757 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I01 compound treatment 0.246 -0.00474 -0.18 0.243 0.0094 0.43 0.1797 0.3862 3211456 TimTec1_006513 NC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2Sc3ccccc3C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I02 compound treatment 0.282 0.0313 1.16 0.277 0.0434 1.99 2.2273 0.9674 3088358 TimTec1_006514 N#Cc1ccc(CSc2nnc(c3cccs3)n2c4ccccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I03 compound treatment 0.257 0.00626 0.23 0.26 0.0264 1.21 1.0194 0.8281 3088360 TimTec1_006515 CCN(Cc1ccccc1)C(=O)CSc2nc(C)cc3COC(=O)c32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I04 compound treatment 0.257 0.00626 0.23 0.256 0.0224 1.03 0.8899 0.8461 3211457 TimTec1_006516 CC1(C)OCC(O1)C2OC(=O)C3OC(C)(C)OC23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I05 compound treatment 0.256 0.00526 0.2 0.262 0.0284 1.3 1.0578 0.8044 3211458 TimTec1_006517 Cc1ccc2ncc(cc2c1)c3ccc4c(N)c(C)ccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I06 compound treatment 0.261 0.0103 0.38 0.267 0.0334 1.53 1.3512 0.8573 3088362 TimTec1_006518 CN1C(=O)N(C)C(=O)C(C2CCC3OCC2O3)(C4CCC5OCC4O5)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I07 compound treatment 0.256 0.00526 0.2 0.258 0.0244 1.12 0.9283 0.8185 3211459 TimTec1_006519 COc1ccc(cc1)C2N(C(=O)C32CCCC3)c4ccc(OC)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I08 compound treatment 0.267 0.0163 0.6 0.265 0.0314 1.44 1.4443 0.926 3088364 TimTec1_006520 CCOC(=O)C1CNC(=S)NC1(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I09 compound treatment 0.252 0.00126 0.05 0.247 0.0134 0.61 0.467 0.7589 3211538 TimTec1_006521 CC1(C)CC2(CC(c3ccccc3F)c4cc(Cl)c(O)cc4O2)NC(=S)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I10 compound treatment 0.261 0.0103 0.38 0.265 0.0314 1.44 1.2864 0.8648 3211539 TimTec1_006522 CC1(C)Cc2c(CS1)c(nc3sc4c(Cl)nnnc4c23)N5CCOCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I11 compound treatment 0.255 0.00426 0.16 0.259 0.0254 1.16 0.9344 0.7961 3088367 TimTec1_006523 CCNCC1Cc2ccccc2O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I12 compound treatment 0.276 0.0253 0.94 0.275 0.0414 1.9 2.0047 0.9476 3088369 TimTec1_006524 Cc1ccc2oc(cc(=O)c2c1)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I13 compound treatment 0.268 0.0173 0.64 0.266 0.0324 1.48 1.5029 0.9298 3211540 TimTec1_006525 CN(C)c1nc(nc2n(c3ccccc3)c(=S)sc12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I14 compound treatment 0.267 0.0163 0.6 0.265 0.0314 1.44 1.4443 0.926 3088443 TimTec1_006526 CCOc1cc(=O)oc2ccc(Cl)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I15 compound treatment 0.316 0.0653 2.43 0.299 0.0654 2.99 3.8338 0.9946 1518517 TimTec1_006527 CCCN(CC1CC1)C(=S)Nc2ccc(OCC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I16 compound treatment 0.258 0.00726 0.27 0.263 0.0294 1.35 1.1428 0.8324 3211541 TimTec1_006528 COc1ccc(cc1Br)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I17 compound treatment 0.268 0.0173 0.64 0.261 0.0274 1.25 1.341 0.9516 3211542 TimTec1_006529 OC(=O)CC(N1C(=O)CCC1=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I18 compound treatment 0.27 0.0193 0.72 0.268 0.0344 1.58 1.6203 0.9364 3088447 TimTec1_006530 COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I19 compound treatment 0.265 0.0143 0.53 0.268 0.0344 1.58 1.4888 0.8958 1478025 TimTec1_006531 COc1ccc2CN(C(=O)c2c1OC)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I20 compound treatment 0.26 0.00926 0.34 0.26 0.0264 1.21 1.0983 0.8738 3088449 TimTec1_006532 CNC(=O)CSc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I21 compound treatment 0.256 0.00526 0.2 0.252 0.0184 0.84 0.734 0.8487 1596437 TimTec1_006533 S=C(NCCN1CCOCC1)Nc2ccc(C#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I22 compound treatment 0.264 0.0133 0.49 0.266 0.0324 1.48 1.3977 0.8941 1592947 TimTec1_006534 OC(=O)c1oc2ccccc2c1CSc3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I23 mock treatment 0.261 0.0103 0.38 0.262 0.0284 1.3 1.1893 0.8776 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 I24 mock treatment 0.252 0.00126 0.05 0.212 -0.0216 -0.99 -0.6662 -0.6729 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J01 compound treatment 0.245 -0.00574 -0.21 0.237 0.0034 0.16 -0.0409 -0.1548 1534128 TimTec1_006535 CCCCC1CCC(CC1)C(=O)OCC(=O)c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J02 compound treatment 0.248 -0.00274 -0.1 0.253 0.0194 0.89 0.556 0.6219 1169194 TimTec1_006536 O=C(CSc1nsc(SCC(=O)N2CCCCC2)c1C#N)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J03 compound treatment 0.257 0.00626 0.23 0.254 0.0204 0.93 0.8251 0.8571 1496370 TimTec1_006537 COc1ccc(OCC(=O)NCC(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J04 compound treatment 0.252 0.00126 0.05 0.252 0.0184 0.84 0.6288 0.7453 1291245 TimTec1_006538 CCOc1ccc2NC(C3CC=CC3c2c1)c4ccc(cc4)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J05 compound treatment 0.256 0.00526 0.2 0.258 0.0244 1.12 0.9283 0.8185 3088453 TimTec1_006539 OC(=O)C1C(C2OC1C=C2)C(=O)Nc3cccc(c3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J06 compound treatment 0.257 0.00626 0.23 0.266 0.0324 1.48 1.2136 0.8082 1271879 TimTec1_006540 O=C(Cc1cccs1)Nc2nc(cs2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J07 compound treatment 0.258 0.00726 0.27 0.255 0.0214 0.98 0.8838 0.8695 1072955 TimTec1_006541 COc1ccc(cc1)c2cc([nH]n2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J08 compound treatment 0.247 -0.00374 -0.14 0.248 0.0144 0.66 0.3678 0.5459 3211543 TimTec1_006542 COc1cccc(c1)C2CC(n3ncc(C(=O)N4CCCCC4C)c3N2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J09 compound treatment 0.252 0.00126 0.05 0.252 0.0184 0.84 0.6288 0.7453 1695584 TimTec1_006543 CC(=CCC(C)(C)C1OCCN1C(=O)c2ccccc2)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J10 compound treatment 0.26 0.00926 0.34 0.263 0.0294 1.35 1.1954 0.8603 1201910 TimTec1_006544 Cc1cccc2c(C)cc(SCCC(=O)O)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J11 compound treatment 0.263 0.0123 0.46 0.256 0.0224 1.03 1.0477 0.9334 1651502 TimTec1_006545 CC(C(=O)Nc1ccccc1)C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J12 compound treatment 0.251 2.59E-4 0.01 0.255 0.0214 0.98 0.6997 0.714 1498972 TimTec1_006546 OC(=O)CCCC(=O)Nc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J13 compound treatment 0.248 -0.00274 -0.1 0.254 0.0204 0.93 0.5884 0.6262 1609094 TimTec1_006547 C(Nc1ccccn1)C2COc3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J14 compound treatment 0.257 0.00626 0.23 0.258 0.0244 1.12 0.9546 0.8365 1441843 TimTec1_006548 CCOC(=O)CC(=O)c1c[nH]c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J15 compound treatment 0.311 0.0603 2.24 0.303 0.0694 3.18 3.8318 0.9854 1692597 TimTec1_006549 COc1ccc(cc1)c2cc(C)nc(N)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J16 compound treatment 0.255 0.00426 0.16 0.258 0.0244 1.12 0.902 0.7994 1475363 TimTec1_006550 OC1(CC(=O)c2ccc(Cl)cc2)OC(=CC1=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J17 compound treatment 0.281 0.0303 1.13 0.277 0.0434 1.99 2.201 0.9638 3088459 TimTec1_006551 CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)cc(C)c3n2)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J18 compound treatment 0.248 -0.00274 -0.1 0.254 0.0204 0.93 0.5884 0.6262 1438712 TimTec1_006552 CC(C)CC(=O)N1CCN(Cc2cccc(C)c2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J19 compound treatment 0.254 0.00326 0.12 0.253 0.0194 0.89 0.7138 0.7962 1215237 TimTec1_006553 O=C(Nc1ccccn1)c2cc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J20 compound treatment 0.254 0.00326 0.12 0.252 0.0184 0.84 0.6814 0.8006 1739248 TimTec1_006554 CC(C)CN(CC(C)C)Cc1c(O)ccc2c(=O)c(coc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J21 compound treatment 0.261 0.0103 0.38 0.263 0.0294 1.35 1.2217 0.8731 3088529 TimTec1_006555 Cc1ccc(C)c(Cc2cc(Cl)ccc2Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J22 compound treatment 0.31 0.0593 2.2 0.299 0.0654 2.99 3.676 0.9886 1779992 TimTec1_006556 COc1ccc2oc(/C=C/N(C)C)c(C(=O)c3ccc(Br)cc3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J23 mock treatment 0.254 0.00326 0.12 0.255 0.0214 0.98 0.7786 0.7886 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 J24 mock treatment 0.248 -0.00274 -0.1 0.229 -0.0046 -0.21 -0.221 -0.9445 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K01 compound treatment 0.245 -0.00574 -0.21 0.252 0.0184 0.84 0.4447 0.5117 3088531 TimTec1_006557 CC(=O)Nc1cc(ccc1N2CCN(CC2)c3ccccc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K02 compound treatment 0.256 0.00526 0.2 0.251 0.0174 0.8 0.7017 0.8553 3211545 TimTec1_006558 COc1cc(OC)nc(NC(=O)C(C)C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K03 compound treatment 0.269 0.0183 0.68 0.273 0.0394 1.8 1.7559 0.9109 3088533 TimTec1_006559 Cc1cc2COC(=O)c2c(SCc3ccc(Cl)cc3)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K04 compound treatment 0.267 0.0163 0.6 0.265 0.0314 1.44 1.4443 0.926 3211546 TimTec1_006560 COc1ccc(cc1)c2nc(no2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K05 compound treatment 0.261 0.0103 0.38 0.264 0.0304 1.39 1.2541 0.8689 1870743 TimTec1_006561 COc1cc(ccc1OC(C)C)C2NCCc3c2[nH]c4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K06 compound treatment 0.256 0.00526 0.2 0.26 0.0264 1.21 0.9931 0.811 3088535 TimTec1_006562 N#CC(=C1NN=NN1c2ccccc2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K07 compound treatment 0.251 2.59E-4 0.01 0.261 0.0274 1.25 0.8939 0.7125 3088537 TimTec1_006563 CC1(C)C(OC(=O)C(C)(C)C1=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K08 compound treatment 0.263 0.0123 0.46 0.266 0.0324 1.48 1.3714 0.8837 3211547 TimTec1_006564 Cc1ccccc1COc2ccc(cc2)c3nnn[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K09 compound treatment 0.267 0.0163 0.6 0.264 0.0304 1.39 1.4119 0.9303 3211548 TimTec1_006565 CC1(C)NC(=S)NC(=C1)/C=C/c2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K10 compound treatment 0.258 0.00726 0.27 0.257 0.0234 1.07 0.9485 0.8585 3088539 TimTec1_006566 CCC1(C)Cc2c(C#N)c(N)n(c3ccccc3)c(=O)c2CO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K11 compound treatment 0.288 0.0373 1.39 0.289 0.0554 2.54 2.7736 0.9596 3211549 TimTec1_006567 CC1(C)Cc2c(ccc3ccccc23)C(=N1)Sc4ccc(N)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K12 compound treatment 0.304 0.0533 1.98 0.304 0.0704 3.22 3.6801 0.9727 3088542 TimTec1_006568 Oc1ccc2c(c3ccccc3)c(c4ccccc4)c(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K13 compound treatment 0.255 0.00426 0.16 0.265 0.0314 1.44 1.1286 0.7803 3211550 TimTec1_006569 Cc1ccc(c(C)c1)n2nnnc2S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K14 compound treatment 0.302 0.0513 1.91 0.3 0.0664 3.04 3.498 0.9747 3088543 TimTec1_006570 Cc1cccc(c1)c2cc(=O)c3cc(C)ccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K15 compound treatment 0.25 -7.41E-4 -0.03 0.25 0.0164 0.75 0.5115 0.6807 1568310 TimTec1_006571 CSc1ccccc1NC(=S)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K16 compound treatment 0.262 0.0113 0.42 0.266 0.0324 1.48 1.3451 0.8726 3211551 TimTec1_006572 COc1cc(OC)c2c(=O)c(coc2c1)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K17 compound treatment 0.286 0.0353 1.31 0.284 0.0504 2.31 2.5591 0.9641 3088546 TimTec1_006573 Cc1cn2c(nc(=S)nc2s1)c3ccccc3F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K18 compound treatment 0.26 0.00926 0.34 0.261 0.0274 1.25 1.1306 0.8691 3088547 TimTec1_006574 Oc1cccc(c1)C2CC(=O)c3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K19 compound treatment 0.306 0.0553 2.06 0.297 0.0634 2.9 3.506 0.9857 3211552 TimTec1_006575 CCOC(=O)C1C2c3ccccc3O[C@]1(C)N=c4s/c(=C/c5ccc(OC)cc5)/c(=O)n24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K20 compound treatment 0.257 0.00626 0.23 0.258 0.0244 1.12 0.9546 0.8365 1160836 TimTec1_006576 COC(=O)C1C(C(C1c2ccccc2)C(=O)OCc3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K21 compound treatment 0.259 0.00826 0.31 0.259 0.0254 1.16 1.0396 0.8642 1239220 TimTec1_006577 COc1ccccc1NC(=S)N2CCCCC2CO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K22 compound treatment 0.298 0.0473 1.76 0.297 0.0634 2.9 3.2956 0.9711 3211553 TimTec1_006578 C1CCc2c(C1)n(c3ccccc3)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K23 mock treatment 0.26 0.00926 0.34 0.258 0.0244 1.12 1.0335 0.884 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 K24 mock treatment 0.248 -0.00274 -0.1 0.213 -0.0206 -0.94 -0.739 -0.779 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L01 compound treatment 0.242 -0.00874 -0.33 0.236 0.0024 0.11 -0.1522 -0.4435 3088551 TimTec1_006579 CCn1c(=O)oc2cc(Br)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L02 compound treatment 0.26 0.00926 0.34 0.262 0.0284 1.3 1.163 0.8646 1255982 TimTec1_006580 COc1cc(OC)c(cc1OC)C(=O)CCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L03 compound treatment 0.254 0.00326 0.12 0.254 0.0204 0.93 0.7462 0.7922 1156741 TimTec1_006581 CCC(C)NC(=O)c1ccccc1c2ccccc2C(=O)NC(C)CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L04 compound treatment 0.261 0.0103 0.38 0.261 0.0274 1.25 1.1569 0.8823 1735137 TimTec1_006582 CC1CN(CC(C)O1)C(=O)c2ccc(N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L05 compound treatment 0.255 0.00426 0.16 0.259 0.0254 1.16 0.9344 0.7961 3087493 TimTec1_006583 OC(=O)C1C(C2CC1C=C2)C(=O)Nc3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L06 compound treatment 0.261 0.0103 0.38 0.263 0.0294 1.35 1.2217 0.8731 1637432 TimTec1_006584 CC1(CN(CC2(C)CN(C1)C(=O)c3ccccc3)C(=O)c4ccccc4)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L07 compound treatment 0.256 0.00526 0.2 0.254 0.0204 0.93 0.7988 0.837 3087495 TimTec1_006585 Brc1ccc(cc1)c2noc(n2)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L08 compound treatment 0.269 0.0183 0.68 0.267 0.0334 1.53 1.5616 0.9332 1144835 TimTec1_006586 CCc1c(C)nc2cc(nn2c1O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L09 compound treatment 0.252 0.00126 0.05 0.248 0.0144 0.66 0.4993 0.7554 3087497 TimTec1_006587 CC(=O)OCCCn1c(C)nc2cc(Cl)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L10 compound treatment 0.263 0.0123 0.46 0.266 0.0324 1.48 1.3714 0.8837 3211639 TimTec1_006588 CCCCC(=O)C1CCC(CC1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L11 compound treatment 0.252 0.00126 0.05 0.254 0.0204 0.93 0.6936 0.7416 1423564 TimTec1_006589 COc1cccc(NC(=O)CSc2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L12 compound treatment 0.571 0.32 11.91 0.551 0.317 14.53 18.6994 0.9951 3211640 TimTec1_006590 COc1ccc(cc1)C2N(CCO)C(=O)C(=C2C(=O)/C=C/c3ccccc3)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L13 compound treatment 0.253 0.00226 0.08 0.258 0.0244 1.12 0.8494 0.7582 1119356 TimTec1_006591 COc1ccc(Cl)cc1CN2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L14 compound treatment 0.26 0.00926 0.34 0.26 0.0264 1.21 1.0983 0.8738 1538287 TimTec1_006592 OCCn1c(cn2c1nc3ccccc32)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L15 compound treatment 0.333 0.0823 3.06 0.329 0.0954 4.37 5.2522 0.9848 3211641 TimTec1_006593 Nc1nc(cc(c1C#N)c2ccc3OCOc3c2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L16 compound treatment 0.256 0.00526 0.2 0.264 0.0304 1.39 1.1226 0.7986 1511443 TimTec1_006594 CC(Cc1ccccc1)NC(=O)c2ccc(N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L17 compound treatment 0.264 0.0133 0.49 0.261 0.0274 1.25 1.2358 0.9168 1541381 TimTec1_006595 O=C(CCCN1C(=O)c2ccccc2C1=O)NC3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L18 compound treatment 0.262 0.0113 0.42 0.26 0.0264 1.21 1.1509 0.8996 3087502 TimTec1_006596 ON=C(C(=O)c1ccccc1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L19 compound treatment 0.266 0.0153 0.57 0.265 0.0314 1.44 1.4179 0.9174 1710724 TimTec1_006597 O=C(CCCc1ccccc1)c2ccc3OCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L20 compound treatment 0.305 0.0543 2.02 0.291 0.0574 2.63 3.2855 0.9915 1446113 TimTec1_006598 CC(=O)Nc1ccc(Nc2nc(c3ccccc3)c4cc(Br)ccc4n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L21 compound treatment 0.256 0.00526 0.2 0.26 0.0264 1.21 0.9931 0.811 1019857 TimTec1_006599 O=C1N(C(C=C1Nc2ccccc2)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L22 compound treatment 0.281 0.0303 1.13 0.27 0.0364 1.67 1.9743 0.9817 1376758 TimTec1_006600 O=C(CCNc1ccccc1)n2c(=O)oc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L23 mock treatment 0.258 0.00726 0.27 0.254 0.0204 0.93 0.8514 0.8757 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 L24 mock treatment 0.251 2.59E-4 0.01 0.209 -0.0246 -1.13 -0.7896 -0.701 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M01 compound treatment 0.226 -0.0247 -0.92 0.228 -0.0056 -0.26 -0.832 -0.871 3087505 TimTec1_006601 COc1ccc(OCCNC(=O)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M02 compound treatment 0.252 0.00126 0.05 0.251 0.0174 0.8 0.5965 0.7474 3211642 TimTec1_006602 O=C(CSc1nc2ccccc2o1)N3CCNC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M03 compound treatment 0.254 0.00326 0.12 0.256 0.0224 1.03 0.811 0.7852 3211643 TimTec1_006603 CCNS(=O)(=O)c1ccc(OC)c2ncccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M04 compound treatment 0.251 2.59E-4 0.01 0.251 0.0174 0.8 0.5702 0.7156 3087508 TimTec1_006604 CCOC(=O)c1c(C)n(N2C(=O)CSC2=S)c(C)c1C(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M05 compound treatment 0.264 0.0133 0.49 0.266 0.0324 1.48 1.3977 0.8941 1629022 TimTec1_006605 COc1ccc2cnn(c3ccccc3)c(=O)c2c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M06 compound treatment 0.275 0.0243 0.9 0.279 0.0454 2.08 2.1079 0.9302 3087510 TimTec1_006606 C1CCN(CC1)c2ccc(nn2)n3ccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M07 compound treatment 0.253 0.00226 0.08 0.25 0.0164 0.75 0.5904 0.7814 3211644 TimTec1_006607 CCC1(CC)C(OC(=O)C(C)(C)C1=O)c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M08 compound treatment 0.29 0.0393 1.46 0.283 0.0494 2.26 2.6319 0.9776 3211645 TimTec1_006608 O=C1CC(Cc2nc(NCc3ccccc3)ncc12)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M09 compound treatment 0.257 0.00626 0.23 0.255 0.0214 0.98 0.8575 0.8514 1747097 TimTec1_006609 CC(=O)Oc1ccc(c(OC(=O)C)c1)C2(CCCC23)Oc4cc(OC(=O)C)ccc4C53CCCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M10 compound treatment 0.258 0.00726 0.27 0.258 0.0244 1.12 0.9809 0.8534 3088015 TimTec1_006610 Fc1ccc(COc2ccccc2CNC3CCCC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M11 compound treatment 0.256 0.00526 0.2 0.256 0.0224 1.03 0.8636 0.8271 3088017 TimTec1_006611 OC(=O)CC(c1ccccc1)n2cnnn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M12 compound treatment 0.264 0.0133 0.49 0.266 0.0324 1.48 1.3977 0.8941 1301285 TimTec1_006612 COc1ccc2oc(=O)c(cc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M13 compound treatment 0.29 0.0393 1.46 0.263 0.0294 1.35 1.9844 0.9992 3211646 TimTec1_006613 CCOC(=O)COc1ccc(cc1)c2nnn[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M14 compound treatment 0.253 0.00226 0.08 0.254 0.0204 0.93 0.7199 0.7676 3088019 TimTec1_006614 COc1ccc2oc(=O)cc(O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M15 compound treatment 0.248 -0.00274 -0.1 0.246 0.0124 0.57 0.3294 0.571 1315478 TimTec1_006615 CCN(C(=S)Nc1cccnc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M16 compound treatment 0.276 0.0253 0.94 0.281 0.0474 2.17 2.199 0.9298 3088021 TimTec1_006616 COc1ccc2c(=O)c(coc2c1)c3ccc(OC)c(OC)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M17 compound treatment 0.258 0.00726 0.27 0.268 0.0344 1.58 1.3047 0.8164 3211647 TimTec1_006617 CCCCS(=O)(=O)c1c(O)nc2ccc(Cl)cc2c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M18 compound treatment 0.287 0.0363 1.35 0.289 0.0554 2.54 2.7473 0.9563 3088023 TimTec1_006618 COc1ccc(cc1)c2cc(=O)c3cccc(C)c3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M19 compound treatment 0.347 0.0963 3.58 0.334 0.1 4.6 5.7823 0.9924 3211648 TimTec1_006619 CC1(C)CC(=O)C2=C(C1)Nc3cc4OCOc4cc3C2c5ccc(Cl)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M20 compound treatment 0.253 0.00226 0.08 0.254 0.0204 0.93 0.7199 0.7676 3088025 TimTec1_006620 CC(Sc1ccccc1)C(=O)Nc2ccc(CC#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M21 compound treatment 0.247 -0.00374 -0.14 0.245 0.0114 0.52 0.2707 0.5011 1664070 TimTec1_006621 CCC(C)c1ccccc1NC(=S)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M22 compound treatment 0.297 0.0463 1.72 0.283 0.0494 2.26 2.8161 0.9909 1204548 TimTec1_006622 COc1cccc(c1)C(CC(=O)Nc2cccc3ccccc23)NC(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M23 mock treatment 0.256 0.00526 0.2 0.253 0.0194 0.89 0.7664 0.8426 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 M24 mock treatment 0.245 -0.00574 -0.21 0.218 -0.0156 -0.71 -0.6561 -0.88 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N01 compound treatment 0.213 -0.0377 -1.4 0.229 -0.0046 -0.21 -1.1415 -0.8042 3211649 TimTec1_006623 CCc1c(C)n[n+]2cnn(Cc3ccccc3)c2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N02 compound treatment 0.244 -0.00674 -0.25 0.245 0.0114 0.52 0.1918 0.3312 1159257 TimTec1_006624 O=C(CC(c1ccccc1)c2ccccc2)NCC3COc4ccccc4O3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N03 compound treatment 0.247 -0.00374 -0.14 0.244 0.0104 0.48 0.2383 0.4804 1523675 TimTec1_006625 CC(C)C1C(N(C)C(CC1(O)c2ccccc2)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N04 compound treatment 0.252 0.00126 0.05 0.252 0.0184 0.84 0.6288 0.7453 1565133 TimTec1_006626 OC(=O)C1C(C(C1c2ccccc2)C(=O)N3CCOCC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N05 compound treatment 0.256 0.00526 0.2 0.263 0.0294 1.35 1.0902 0.8014 3088098 TimTec1_006627 FC(F)(F)C(=O)Nc1cccc(c1)C(=O)OCC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N06 compound treatment 0.247 -0.00374 -0.14 0.256 0.0224 1.03 0.6268 0.6056 1325486 TimTec1_006628 O=C(Nc1cc2cc[nH]c2cn1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N07 compound treatment 0.244 -0.00674 -0.25 0.248 0.0144 0.66 0.2889 0.4096 1651914 TimTec1_006629 Cc1nc2c(Cl)cccc2c(O)c1CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N08 compound treatment 0.257 0.00626 0.23 0.259 0.0254 1.16 0.987 0.8321 1624701 TimTec1_006630 Nc1cc(nn1Cc2ccc(Cl)cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N09 compound treatment 0.254 0.00326 0.12 0.262 0.0284 1.3 1.0052 0.7697 3211650 TimTec1_006631 Cc1ccc(cc1)S(=O)(=O)C2CS(=O)(=O)CC2S(=O)(=O)c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N10 compound treatment 0.241 -0.00974 -0.36 0.244 0.0104 0.48 0.0805 0.1346 1719238 TimTec1_006632 OC(=O)c1cnc2ccc(F)cc2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N11 compound treatment 0.246 -0.00474 -0.18 0.245 0.0114 0.52 0.2444 0.4436 1420410 TimTec1_006633 O=C(Cc1ccccc1)NCC2(CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N12 compound treatment 0.252 0.00126 0.05 0.252 0.0184 0.84 0.6288 0.7453 3211651 TimTec1_006634 CCN(CC)C(=O)COc1cc(C)c(Cl)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N13 compound treatment 0.258 0.00726 0.27 0.262 0.0284 1.3 1.1104 0.8361 1106512 TimTec1_006635 Nc1nc(nc2sc3CCCCc3c12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N14 compound treatment 0.268 0.0173 0.64 0.264 0.0304 1.39 1.4382 0.9382 3211652 TimTec1_006636 Cc1ccc(Sc2c(nc3ncccn23)c4ccccc4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N15 compound treatment 0.248 -0.00274 -0.1 0.253 0.0194 0.89 0.556 0.6219 1300777 TimTec1_006637 CC1=CCC(NC1c2ccccc2)c3cnc(c(C)c3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N16 compound treatment 0.251 2.59E-4 0.01 0.259 0.0254 1.16 0.8292 0.7129 3211653 TimTec1_006638 COc1cccc(CNCCc2ccccc2)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N17 compound treatment 0.256 0.00526 0.2 0.257 0.0234 1.07 0.8959 0.8226 1725536 TimTec1_006639 CC(=O)N1C(C2=C(CC(CC2=O)c3ccccc3F)Nc4ccccc14)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N18 compound treatment 0.251 2.59E-4 0.01 0.253 0.0194 0.89 0.6349 0.7147 1400907 TimTec1_006640 CCOC(=O)Cc1csc(NCC=C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N19 compound treatment 0.255 0.00426 0.16 0.257 0.0234 1.07 0.8696 0.8029 1270718 TimTec1_006641 CCOc1cccc(NC(=O)CC#N)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N20 compound treatment 0.256 0.00526 0.2 0.254 0.0204 0.93 0.7988 0.837 1455920 TimTec1_006642 CC1CC(=O)C(C)CN1CCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N21 compound treatment 0.257 0.00626 0.23 0.255 0.0214 0.98 0.8575 0.8514 3211654 TimTec1_006643 O=C1O/C(=C/C=C\2/OC(=O)c3ccccc23)/c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N22 compound treatment 0.317 0.0663 2.46 0.303 0.0694 3.18 3.9896 0.9921 1354629 TimTec1_006644 Fc1ccccc1C(=O)N2c3ccccc3Sc4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N23 mock treatment 0.256 0.00526 0.2 0.25 0.0164 0.75 0.6693 0.8625 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 N24 mock treatment 0.223 -0.0277 -1.03 0.212 -0.0216 -0.99 -1.4289 -0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O01 compound treatment 0.217 -0.0337 -1.25 0.217 -0.0166 -0.76 -1.4249 -0.9711 3211758 TimTec1_006645 O=C(NCCOc1ccccc1Cc2ccccc2)c3ccc4OCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O02 compound treatment 0.249 -0.00174 -0.06 0.248 0.0144 0.66 0.4204 0.6346 3088109 TimTec1_006646 CC(=O)Nc1nonc1NC(=O)C2(CC3CC4CC(C3)C2)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O03 compound treatment 0.251 2.59E-4 0.01 0.25 0.0164 0.75 0.5378 0.7161 3211759 TimTec1_006647 CN(C(=O)c1c(C)c(Cl)c(C)nc1Cl)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O04 compound treatment 0.278 0.0273 1.01 0.279 0.0454 2.08 2.1868 0.9455 3088110 TimTec1_006648 N=C1C(=C(N2CCOCC2)c3cc4CCCCc4n13)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O05 compound treatment 0.326 0.0753 2.8 0.318 0.0844 3.86 4.7119 0.9875 3088179 TimTec1_006649 CCOC(=O)c1ccc(NC2Nc3cc(C)nn3S2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O06 compound treatment 0.258 0.00726 0.27 0.255 0.0214 0.98 0.8838 0.8695 3088181 TimTec1_006650 Fc1ccc(Nc2nc3ccccc3o2)c(F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O07 compound treatment 0.25 -7.41E-4 -0.03 0.25 0.0164 0.75 0.5115 0.6807 3088183 TimTec1_006651 CCn1c(=O)c(cc2cc(Cl)ccc12)c3ccc4ccccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O08 compound treatment 0.258 0.00726 0.27 0.254 0.0204 0.93 0.8514 0.8757 3211760 TimTec1_006652 COC(=O)CC1N(CCNC1=O)C(=O)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O09 compound treatment 0.271 0.0203 0.75 0.274 0.0404 1.85 1.8408 0.9216 3211761 TimTec1_006653 CCC(Sc1nc(=O)cc(N)n1CCc2ccccc2)C(=O)Nc3nc(cs3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O10 compound treatment 0.254 0.00326 0.12 0.254 0.0204 0.93 0.7462 0.7922 3088185 TimTec1_006654 CSc1nnc(s1)N2C(=O)CC(C3=C2CCCC3=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O11 compound treatment 0.251 2.59E-4 0.01 0.248 0.0144 0.66 0.473 0.7174 3211762 TimTec1_006655 C1CC(CCN1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O12 compound treatment 0.256 0.00526 0.2 0.252 0.0184 0.84 0.734 0.8487 1188337 TimTec1_006656 COc1ccc2cc(C#N)c(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O13 compound treatment 0.252 0.00126 0.05 0.262 0.0284 1.3 0.9526 0.7321 3211763 TimTec1_006657 COC(=O)/N=c/1\[cH-][n+](no1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O14 compound treatment 0.301 0.0503 1.87 0.305 0.0714 3.27 3.6335 0.9648 3088188 TimTec1_006658 COc1ccc(cc1OC)c2c(C)c3cc(Cl)c(O)cc3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O15 compound treatment 0.259 0.00826 0.31 0.252 0.0184 0.84 0.813 0.9066 3211764 TimTec1_006659 CC12CCC3C(CC=C4CC(O)CCC34C)C2C/C(=C\c5ccc(F)cc5)/C1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O16 compound treatment 0.256 0.00526 0.2 0.263 0.0294 1.35 1.0902 0.8014 3088190 TimTec1_006660 CC(=O)n1c(=O)oc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O17 compound treatment 0.35 0.0993 3.69 0.341 0.107 4.92 6.0878 0.99 3211765 TimTec1_006661 CC1(C)CC(C)(c2ccccc2)c3cccc4/C(=C\5/SC(=O)NC5=O)/C(=O)N1c43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O18 compound treatment 0.254 0.00326 0.12 0.26 0.0264 1.21 0.9405 0.7741 1529444 TimTec1_006662 O=C(N1CCCC1)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O19 compound treatment 0.255 0.00426 0.16 0.251 0.0174 0.8 0.6754 0.8314 3211766 TimTec1_006663 CCOc1ccc(cc1)C(CC(=O)O)NC(=O)c2c(C)onc2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O20 compound treatment 0.24 -0.0107 -0.4 0.255 0.0214 0.98 0.4104 0.3878 3088193 TimTec1_006664 CC(Sc1ccccc1)C(=O)Nc2cc(C)cc(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O21 compound treatment 0.325 0.0743 2.76 0.303 0.0694 3.18 4.2 0.9976 3211767 TimTec1_006665 CCCc1nc(O)c2sc(=S)n(c3ccccc3)c2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O22 compound treatment 0.257 0.00626 0.23 0.251 0.0174 0.8 0.728 0.8771 1236651 TimTec1_006666 CCc1cc(C(=O)Cc2nc3ccccc3[nH]2)c(O)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O23 mock treatment 0.255 0.00426 0.16 0.246 0.0124 0.57 0.5135 0.8711 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 O24 mock treatment 0.2 -0.0507 -1.89 0.225 -0.0086 -0.39 -1.613 -0.8366 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P01 compound treatment 0.182 -0.0687 -2.56 0.182 -0.0516 -2.36 -3.4786 -0.9992 1473206 TimTec1_006667 CC1(C)CNC(=O)c2sc(nc2C1)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P02 compound treatment 0.272 0.0213 0.79 0.26 0.0264 1.21 1.4139 0.9788 1588991 TimTec1_006668 Cc1ccc(c2csc(Nc3ccc(cc3)C(=O)O)n2)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P03 compound treatment 0.22 -0.0307 -1.14 0.235 0.0014 0.06 -0.7632 -0.6664 1700904 TimTec1_006669 CCOC(=O)Cc1csc(NC(=O)CC)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P04 compound treatment 0.223 -0.0277 -1.03 0.205 -0.0286 -1.31 -1.6556 -0.993 1292116 TimTec1_006670 Brc1ccc(cc1)c2ccc(cn2)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P05 compound treatment 0.224 -0.0267 -0.99 0.249 0.0154 0.71 -0.2047 -0.1679 1398485 TimTec1_006671 Cc1ccc(C)c(NCc2ccc3OCOc3c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P06 compound treatment 0.274 0.0233 0.87 0.279 0.0454 2.08 2.0816 0.9245 1394993 TimTec1_006672 C(Cn1c2nc(cn2c3ccccc13)c4ccccc4)N5CCCCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P07 compound treatment 0.2 -0.0507 -1.89 0.207 -0.0266 -1.22 -2.1957 -0.9775 1307464 TimTec1_006673 CC(C)C(=O)Nc1c(O)c2ccccc2[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P08 compound treatment 0.294 0.0433 1.61 0.318 0.0844 3.86 3.8703 0.9246 1718869 TimTec1_006674 CCCC(CCC)C(=O)Nc1cccc(c1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P09 compound treatment 0.223 -0.0277 -1.03 0.224 -0.0096 -0.44 -1.0404 -0.9277 3088199 TimTec1_006675 O=C(CSc1ccccc1)N2CCCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P10 compound treatment 0.216 -0.0347 -1.29 0.219 -0.0146 -0.67 -1.3864 -0.9529 3211768 TimTec1_006676 CC(C)C/1Oc2cc3oc(=O)ccc3cc2\C1=N/O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P11 compound treatment 0.205 -0.0457 -1.7 0.217 -0.0166 -0.76 -1.7405 -0.934 1289028 TimTec1_006677 CN(C(=O)c1ccccc1)c2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P12 compound treatment 0.21 -0.0407 -1.52 0.219 -0.0146 -0.67 -1.5442 -0.9324 1729839 TimTec1_006678 OC(=O)CCCC(=O)Nc1ccccn1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P13 compound treatment 0.229 -0.0217 -0.81 0.23 -0.0036 -0.16 -0.6884 -0.8341 3088277 TimTec1_006679 COC(=O)C(C)Oc1nc(C)c(Br)c(OC)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P14 compound treatment 0.218 -0.0327 -1.22 0.22 -0.0136 -0.62 -1.3014 -0.9515 1337521 TimTec1_006680 CCCc1c(O)c2ccccc2[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P15 compound treatment 0.217 -0.0337 -1.25 0.209 -0.0246 -1.13 -1.6839 -0.9985 3211769 TimTec1_006681 CC(C)C1C(=C(N)OC2=C1C(=O)CC(C)(C)C2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P16 compound treatment 0.192 -0.0587 -2.18 0.209 -0.0246 -1.13 -2.3414 -0.9525 1376316 TimTec1_006682 OC(=O)CCNc1ncnc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P17 compound treatment 0.234 -0.0167 -0.62 0.238 0.0044 0.2 -0.2978 -0.4551 3211770 TimTec1_006683 COc1cccc(c1)N2C(=O)CN=C2Nc3nc(C)cc(C)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P18 compound treatment 0.221 -0.0297 -1.11 0.228 -0.0056 -0.26 -0.9635 -0.8485 3211771 TimTec1_006684 CCC1CCC2(CC1)NNC(=S)NN2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P19 compound treatment 0.217 -0.0337 -1.25 0.202 -0.0316 -1.45 -1.9105 -0.9975 1168709 TimTec1_006685 NC(=O)C1CCN(CC1)C(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P20 compound treatment 0.219 -0.0317 -1.18 0.218 -0.0156 -0.71 -1.3399 -0.971 1615021 TimTec1_006686 Fc1ccc2[nH]c3C(CCCc3c2c1)NC=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P21 compound treatment 0.213 -0.0377 -1.4 0.214 -0.0196 -0.9 -1.6272 -0.9766 3088282 TimTec1_006687 CCCCc1nnc(NC(=O)CC)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P22 compound treatment 0.208 -0.0427 -1.59 0.219 -0.0146 -0.67 -1.5968 -0.9259 1124526 TimTec1_006688 COc1ccc(CCNC2CCCCC2C)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P23 mock treatment 0.196 -0.0547 -2.04 0.2 -0.0336 -1.54 -2.5276 -0.9904 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2081 P24 mock treatment 0.193 -0.0577 -2.15 0.205 -0.0286 -1.31 -2.4446 -0.9718 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A01 compound treatment 0.176 -0.0592 -2.2 0.198 -0.0451 -2.07 -3.0194 -0.9995 1191118 TimTec1_006689 COCC(C)NCc1cccc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A02 compound treatment 0.195 -0.0402 -1.5 0.205 -0.0381 -1.75 -2.2931 -0.997 1573567 TimTec1_006690 O=S(=O)(N1CCOCC1)c2ccc(cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A03 compound treatment 0.245 0.00977 0.36 0.204 -0.0391 -1.79 -1.0104 -0.5525 1587133 TimTec1_006691 CC(C)OC(=O)C1=C(C)N(C)C(=O)NC1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A04 compound treatment 0.2 -0.0352 -1.31 0.205 -0.0381 -1.75 -2.1616 -0.99 1537360 TimTec1_006692 OCCN1C(=O)CSC21CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A05 compound treatment 0.179 -0.0562 -2.09 0.202 -0.0411 -1.88 -2.811 -0.9986 3088287 TimTec1_006693 OC(=O)CC1NC(=NC1=O)Nc2nc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A06 compound treatment 0.19 -0.0452 -1.68 0.193 -0.0501 -2.3 -2.8131 -0.9883 3211772 TimTec1_006694 C(Sc1ncnc2sc3CCCCc3c12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A07 compound treatment 0.211 -0.0242 -0.9 0.2 -0.0431 -1.98 -2.0342 -0.9368 1192303 TimTec1_006695 OC(=O)CC1=C(CCC1=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A08 compound treatment 0.215 -0.0202 -0.75 0.205 -0.0381 -1.75 -1.7671 -0.9292 1579568 TimTec1_006696 CC(C)N1CCN(Cc2ccc(F)cc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A09 compound treatment 0.227 -0.00823 -0.31 0.211 -0.0321 -1.47 -1.2572 -0.8363 3211773 TimTec1_006697 CCCC(=O)Nc1ccccc1OC(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A10 compound treatment 0.239 0.00377 0.14 0.222 -0.0211 -0.97 -0.5855 -0.5985 3088290 TimTec1_006698 FC(F)(F)c1cccc(NC(=S)NC(=O)c2ccccc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A11 compound treatment 0.226 -0.00923 -0.34 0.211 -0.0321 -1.47 -1.2835 -0.8493 1555167 TimTec1_006699 Clc1ccccc1NC(=O)CC2Nc3ccccc3NC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A12 compound treatment 0.228 -0.00723 -0.27 0.228 -0.0151 -0.69 -0.6805 -0.915 1739061 TimTec1_006700 Cc1nc2ccccc2c(O)c1CN(CC=C)CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A13 compound treatment 0.21 -0.0252 -0.94 0.215 -0.0281 -1.29 -1.5748 -0.9879 1541571 TimTec1_006701 COC(=O)C(CC(C)C)NC(=O)c1ccco1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A14 compound treatment 0.237 0.00177 0.07 0.245 0.00186 0.09 0.1066 0.9919 1353905 TimTec1_006702 COc1ccc(cc1OC)C2(CCc3[nH]c4ccccc4c3C2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A15 compound treatment 0.232 -0.00323 -0.12 0.219 -0.0241 -1.11 -0.8667 -0.7794 1788321 TimTec1_006703 Nc1ccc2[nH]c(Cc3ccccc3)nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A16 compound treatment 0.214 -0.0212 -0.79 0.208 -0.0351 -1.61 -1.6963 -0.9463 1538142 TimTec1_006704 CC(=O)Nc1ccc(cc1)S(=O)(=O)CCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A17 compound treatment 0.192 -0.0432 -1.61 0.201 -0.0421 -1.93 -2.5015 -0.9959 3088294 TimTec1_006705 Brc1ccc(cc1)C(=O)COC(=O)c2cn(nc2c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A18 compound treatment 0.204 -0.0312 -1.16 0.218 -0.0251 -1.15 -1.6355 -1.0 1281666 TimTec1_006706 CC(C)(C)C(=O)Cn1c(NCCO)nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A19 compound treatment 0.223 -0.0122 -0.46 0.229 -0.0141 -0.65 -0.7796 -0.9851 1640157 TimTec1_006707 CCOc1ccc(cc1)C(=O)OCCC2CCCN3CCCCC23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A20 compound treatment 0.204 -0.0312 -1.16 0.197 -0.0461 -2.11 -2.3154 -0.9603 1913968 TimTec1_006708 Clc1ccc(NCn2nnc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A21 compound treatment 0.195 -0.0402 -1.5 0.193 -0.0501 -2.3 -2.6816 -0.9785 1634555 TimTec1_006709 Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A22 compound treatment 0.21 -0.0252 -0.94 0.21 -0.0331 -1.52 -1.7367 -0.9733 1298020 TimTec1_006710 CC1=CCC(C(C1)C(=O)Nc2nc3ccc(cc3s2)S(=O)(=O)C)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A23 mock treatment 0.194 -0.0412 -1.53 0.182 -0.0611 -2.8 -3.0641 -0.9599 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 A24 mock treatment 0.182 -0.0532 -1.98 0.176 -0.0671 -3.07 -3.5739 -0.9774 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B01 compound treatment 0.219 -0.0162 -0.6 0.238 -0.00514 -0.24 -0.5935 -0.9157 1702916 TimTec1_006711 CCC(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B02 compound treatment 0.261 0.0258 0.96 0.261 0.0179 0.82 1.2558 0.9969 3211774 TimTec1_006712 Cc1ccccc1CNCCc2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B03 compound treatment 0.264 0.0288 1.07 0.263 0.0199 0.91 1.3995 0.9967 1742610 TimTec1_006713 Cc1c(Cl)cccc1NC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B04 compound treatment 0.259 0.0238 0.88 0.255 0.0119 0.54 1.009 0.9726 1433621 TimTec1_006714 CN(C)c1nc2c(N)ncnc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B05 compound treatment 0.273 0.0378 1.4 0.27 0.0269 1.23 1.8628 0.9978 3211866 TimTec1_006715 O=S(=O)(CCC#N)c1ccc(Oc2ccc(cc2)S(=O)(=O)CCC#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B06 compound treatment 0.249 0.0138 0.51 0.249 0.00586 0.27 0.5517 0.9545 3088376 TimTec1_006716 CC(Sc1ccccc1)C(=O)Nc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B07 compound treatment 0.268 0.0328 1.22 0.268 0.0249 1.14 1.6666 0.9994 1180218 TimTec1_006717 OC(=O)c1cc2c(ccc3ccccc32)oc1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B08 compound treatment 0.253 0.0178 0.66 0.252 0.00886 0.41 0.754 0.9725 3088379 TimTec1_006718 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N2CCN=C2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B09 compound treatment 0.29 0.0548 2.04 0.28 0.0369 1.69 2.6337 0.9956 1330797 TimTec1_006719 Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B10 compound treatment 0.263 0.0278 1.03 0.262 0.0189 0.86 1.3408 0.996 3211867 TimTec1_006720 O/N=C/1\CCCc2c1nc(c3ccccc3Cl)n2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B11 compound treatment 0.262 0.0268 1.0 0.261 0.0179 0.82 1.2821 0.9952 1713095 TimTec1_006721 CNC(=O)CC1Nc2ccccc2NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B12 compound treatment 0.257 0.0218 0.81 0.256 0.0129 0.59 0.9887 0.9877 1487671 TimTec1_006722 Cc1ccc(C)c(NC(=O)c2ccco2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B13 compound treatment 0.263 0.0278 1.03 0.264 0.0209 0.95 1.4056 0.9992 1579293 TimTec1_006723 CCC(C)N1CCN(CC2CCC=CC2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B14 compound treatment 0.25 0.0148 0.55 0.249 0.00586 0.27 0.578 0.9457 3211868 TimTec1_006724 FC(F)(F)c1nn(CC(=O)N2CCCc3ccccc23)c4CCCCc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B15 compound treatment 0.257 0.0218 0.81 0.257 0.0139 0.63 1.0211 0.9927 3088384 TimTec1_006725 O/N=C/1\CCC2CN(CC2C1)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B16 compound treatment 0.256 0.0208 0.77 0.256 0.0129 0.59 0.9624 0.991 3211869 TimTec1_006726 CCOC(=O)CSc1ncnc2sc(C)c(C)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B17 compound treatment 0.279 0.0438 1.63 0.28 0.0369 1.69 2.3444 0.9998 1621335 TimTec1_006727 Cc1cc(SCC(=O)Nc2ccccc2)c3ccccc3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B18 compound treatment 0.32 0.0848 3.15 0.309 0.0659 3.02 4.3617 0.9998 3088387 TimTec1_006728 CSC1=C(C#N)C(CC(=O)N1)c2ccc(cc2)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B19 compound treatment 0.255 0.0198 0.74 0.255 0.0119 0.54 0.9038 0.9889 1235770 TimTec1_006729 NC(=O)C1CCN(CCC(=O)Nc2ccccc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B20 compound treatment 0.245 0.00977 0.36 0.246 0.00286 0.13 0.3494 0.9049 1483335 TimTec1_006730 COc1ccc(NC(=O)CC2(Cc3ccccc3)CCOC(C)(C)C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B21 compound treatment 0.258 0.0228 0.85 0.257 0.0139 0.63 1.0474 0.9899 1160668 TimTec1_006731 CC(C)C1(CN2CC3CN(C1)CC2)C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B22 compound treatment 0.257 0.0218 0.81 0.256 0.0129 0.59 0.9887 0.9877 1622689 TimTec1_006732 COc1ccc2NC(C3CC=CC3c2c1)c4cc5OCOc5cc4Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B23 mock treatment 0.257 0.0218 0.81 0.256 0.0129 0.59 0.9887 0.9877 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 B24 mock treatment 0.203 -0.0322 -1.2 0.236 -0.00714 -0.33 -1.079 -0.8683 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C01 compound treatment 0.247 0.0118 0.44 0.234 -0.00914 -0.42 0.0135 0.0222 1335975 TimTec1_006733 C(CN1CCOCC1)Cn2c(cn3c2nc4ccccc43)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C02 compound treatment 0.247 0.0118 0.44 0.244 8.57E-4 0.04 0.3372 0.7674 1454078 TimTec1_006734 COC(=O)c1ccc(cc1)c2nc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C03 compound treatment 0.244 0.00877 0.33 0.242 -0.00114 -0.05 0.1936 0.5861 1235834 TimTec1_006735 COc1cccc(CN2CCN(CC2)C(C)C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C04 compound treatment 0.238 0.00277 0.1 0.238 -0.00514 -0.24 -0.0937 -0.3648 1253454 TimTec1_006736 Cc1ccc(O)c(CCc2ccc(O)cc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C05 compound treatment 0.252 0.0168 0.62 0.247 0.00386 0.18 0.5659 0.873 3211870 TimTec1_006737 CN(Cc1ccccc1)C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc(C)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C06 compound treatment 0.247 0.0118 0.44 0.247 0.00386 0.18 0.4344 0.9203 1784507 TimTec1_006738 [O-][n+]1c2CCc3nonc3-c2nn1c4ccccc4Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C07 compound treatment 0.245 0.00977 0.36 0.245 0.00186 0.09 0.317 0.8497 1708265 TimTec1_006739 Clc1ccc(cc1)C(=O)NCC2(CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C08 compound treatment 0.263 0.0278 1.03 0.261 0.0179 0.82 1.3084 0.9933 1294485 TimTec1_006740 COC(=O)c1sc2nc(cc(c3ccccc3)c2c1N)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C09 compound treatment 0.257 0.0218 0.81 0.259 0.0159 0.73 1.0859 0.9985 1189050 TimTec1_006741 Brc1cc(Br)c2oc(=O)c(cc2c1)C(=O)OCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C10 compound treatment 0.255 0.0198 0.74 0.254 0.0109 0.5 0.8714 0.9818 1225819 TimTec1_006742 Brc1ccc(cc1)C(=O)Oc2ccc3oc(=O)sc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C11 compound treatment 0.248 0.0128 0.47 0.25 0.00686 0.31 0.5578 0.9798 3211871 TimTec1_006743 OC(=O)c1cc(nc2ccc(Br)cc12)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C12 compound treatment 0.265 0.0298 1.11 0.26 0.0169 0.77 1.3287 0.9844 1285755 TimTec1_006744 OC(=O)c1ccc(Nc2nc(cs2)c3ccc(Cl)c(Cl)c3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C13 compound treatment 0.25 0.0148 0.55 0.249 0.00586 0.27 0.578 0.9457 1580452 TimTec1_006745 O(c1ccccc1)c2nnc(c3ccccc3)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C14 compound treatment 0.237 0.00177 0.07 0.24 -0.00314 -0.14 -0.0553 -0.3495 1550487 TimTec1_006746 CC(=O)N1CC(C=C(C)C1c2ccccc2)c3cnc(c(C)c3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C15 compound treatment 0.3 0.0648 2.41 0.3 0.0569 2.6 3.5442 0.9992 1546076 TimTec1_006747 COc1ccc2n(C)c(C)c(C(=O)CSc3ccccc3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C16 compound treatment 0.252 0.0168 0.62 0.251 0.00786 0.36 0.6954 0.9658 3211872 TimTec1_006748 COc1ccc(CNCCC2(Cc3ccccc3)CC(C)N(C)CC2C)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C17 compound treatment 0.275 0.0398 1.48 0.273 0.0299 1.37 2.0126 0.9992 3088471 TimTec1_006749 N#Cc1c(SCc2ccccc2C#N)nsc1SCc3ccccc3C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C18 compound treatment 0.302 0.0668 2.48 0.299 0.0559 2.56 3.5645 0.9999 1128012 TimTec1_006750 CC(C)CC(=O)NC(c1ccccc1)c2c(O)ccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C19 compound treatment 0.368 0.133 4.94 0.354 0.111 5.08 7.081 0.9999 1522229 TimTec1_006751 COc1ccccc1C2C3=C(CCCC3=O)N(CC(=O)O)C4=C2C(=O)CCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C20 compound treatment 0.246 0.0108 0.4 0.248 0.00486 0.22 0.4404 0.9615 3211873 TimTec1_006752 CC(C)NC(=O)CSCc1ccc(Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C21 compound treatment 0.244 0.00877 0.33 0.246 0.00286 0.13 0.3231 0.9196 1278138 TimTec1_006753 NC(=O)c1cc(N)ccc1N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C22 compound treatment 0.256 0.0208 0.77 0.258 0.0149 0.68 1.0272 0.998 1148287 TimTec1_006754 CC(C)C1=CC2=C(CC(C)(C)CC2=O)OC1N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C23 mock treatment 0.245 0.00977 0.36 0.242 -0.00114 -0.05 0.2199 0.5991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 C24 mock treatment 0.198 -0.0372 -1.38 0.218 -0.0251 -1.15 -1.7933 -0.9958 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D01 compound treatment 0.215 -0.0202 -0.75 0.225 -0.0181 -0.83 -1.1196 -0.9988 1357090 TimTec1_006755 Cc1ccc2n3CCN(CC#N)C4CCc(c43)c(=O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D02 compound treatment 0.251 0.0158 0.59 0.251 0.00786 0.36 0.6691 0.9725 3088476 TimTec1_006756 COc1ccc(cc1OC)c2cc(nc(N)c2C#N)c3ccc(Cl)c(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D03 compound treatment 0.251 0.0158 0.59 0.253 0.00986 0.45 0.7338 0.9916 1669245 TimTec1_006757 C(C#Cc1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D04 compound treatment 0.253 0.0178 0.66 0.252 0.00886 0.41 0.754 0.9725 1279830 TimTec1_006758 O=c1cc(N2CCCC2)c3ccccc3o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D05 compound treatment 0.287 0.0518 1.93 0.284 0.0409 1.87 2.6843 0.9999 3211874 TimTec1_006759 O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D06 compound treatment 0.256 0.0208 0.77 0.256 0.0129 0.59 0.9624 0.991 1228770 TimTec1_006760 Fc1ccc(cc1)C(CCCN2CCN3CCCCCC3C2)c4ccc(F)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D07 compound treatment 0.263 0.0278 1.03 0.263 0.0199 0.91 1.3732 0.998 1294456 TimTec1_006761 OC(=O)c1ccccc1C(=O)N(Cc2ccccc2)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D08 compound treatment 0.263 0.0278 1.03 0.263 0.0199 0.91 1.3732 0.998 1150523 TimTec1_006762 O=C1CC(CC2=C1C(Nc3ccccc3N2)c4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D09 compound treatment 0.287 0.0518 1.93 0.288 0.0449 2.05 2.8138 0.9995 3088554 TimTec1_006763 COc1ccc2c(c(C)oc2c1)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D10 compound treatment 0.258 0.0228 0.85 0.256 0.0129 0.59 1.0151 0.9842 3088557 TimTec1_006764 CC(=O)Nc1ccc2n(C)c(C)nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D11 compound treatment 0.26 0.0248 0.92 0.26 0.0169 0.77 1.1972 0.9961 1170616 TimTec1_006765 Cc1ccccc1NC(=O)CC2Nc3ccccc3NC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D12 compound treatment 0.304 0.0688 2.56 0.304 0.0609 2.79 3.779 0.9991 1215173 TimTec1_006766 COc1ccccc1NC(=O)C2=C(C)NC3=C(C2c4ccc(Cl)cc4Cl)C(=O)CC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D13 compound treatment 0.26 0.0248 0.92 0.261 0.0179 0.82 1.2295 0.9982 1235033 TimTec1_006767 Cc1c(oc2ccccc12)C(=O)OCCN3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D14 compound treatment 0.245 0.00977 0.36 0.247 0.00386 0.18 0.3818 0.9451 1338758 TimTec1_006768 CC(C)Oc1ccc(CNC2CCOC(C)(C)C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D15 compound treatment 0.26 0.0248 0.92 0.257 0.0139 0.63 1.1 0.9834 3211875 TimTec1_006769 CCCOc1nc(cc(n1)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D16 compound treatment 0.26 0.0248 0.92 0.26 0.0169 0.77 1.1972 0.9961 3211876 TimTec1_006770 Cc1sc2ncnc(SCC(=O)Nc3cc(C)ccc3C)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D17 compound treatment 0.275 0.0398 1.48 0.275 0.0319 1.46 2.0773 1.0 1122485 TimTec1_006771 Cc1ccc(cc1)c2cn3c(nc4ccccc43)n2CCCN5CCCCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D18 compound treatment 0.264 0.0288 1.07 0.268 0.0249 1.14 1.5614 0.9995 1249464 TimTec1_006772 COC(=O)c1ccc(cc1)C2Nc3c(cccc3C4C=CCC42)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D19 compound treatment 0.247 0.0118 0.44 0.249 0.00586 0.27 0.4991 0.9724 1389916 TimTec1_006773 CC1CCN(CCC(=O)Nc2ccc3OCOc3c2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D20 compound treatment 0.246 0.0108 0.4 0.247 0.00386 0.18 0.4081 0.9323 1429288 TimTec1_006774 CC(C)c1ccc(OCC(=O)NC(C)c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D21 compound treatment 0.254 0.0188 0.7 0.257 0.0139 0.63 0.9422 0.9989 1645937 TimTec1_006775 COc1cc(ccc1O)C(C#N)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D22 compound treatment 0.275 0.0398 1.48 0.275 0.0319 1.46 2.0773 1.0 3088562 TimTec1_006776 COc1ccc(Cl)cc1C(=O)CSc2cc(C)c3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D23 mock treatment 0.25 0.0148 0.55 0.25 0.00686 0.31 0.6104 0.9648 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 D24 mock treatment 0.237 0.00177 0.07 0.233 -0.0101 -0.46 -0.2819 -0.6011 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E01 compound treatment 0.245 0.00977 0.36 0.245 0.00186 0.09 0.317 0.8497 1193138 TimTec1_006777 COC(=O)c1cc(CN2CCN(C)CC2)ccc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E02 compound treatment 0.259 0.0238 0.88 0.26 0.0169 0.77 1.1709 0.9977 1776719 TimTec1_006778 Oc1[nH]c(=O)c(C#N)c2CCN(Cc3ccccc3)Cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E03 compound treatment 0.254 0.0188 0.7 0.255 0.0119 0.54 0.8775 0.9923 1574650 TimTec1_006779 CC(C)CNC(=O)c1cccc(NC(=O)c2ccco2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E04 compound treatment 0.23 -0.00523 -0.19 0.23 -0.0131 -0.6 -0.5632 -0.8904 1646030 TimTec1_006780 CC(Nc1ncnc2ccccc12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E05 compound treatment 0.254 0.0188 0.7 0.25 0.00686 0.31 0.7156 0.9349 1655517 TimTec1_006781 CCCCC1(CC(C)(OC1=O)c2csc(N)n2)C(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E06 compound treatment 0.257 0.0218 0.81 0.257 0.0139 0.63 1.0211 0.9927 1315927 TimTec1_006782 CN1CCCC(C1)OC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E07 compound treatment 0.248 0.0128 0.47 0.247 0.00386 0.18 0.4607 0.9092 1216871 TimTec1_006783 CCCN(Cc1ccccc1)S(=O)(=O)c2ccc(cc2)N3C(=O)CCC3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E08 compound treatment 0.272 0.0368 1.37 0.27 0.0269 1.23 1.8365 0.9986 1623058 TimTec1_006784 COc1ccc(Cl)cc1Nc2nc3cc(C)ccc3cc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E09 compound treatment 0.26 0.0248 0.92 0.26 0.0169 0.77 1.1972 0.9961 3211956 TimTec1_006785 OC(=O)C1CC=CCC1C(=O)Nc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E10 compound treatment 0.295 0.0598 2.22 0.292 0.0489 2.24 3.1537 1.0 1216589 TimTec1_006786 COc1ccc(cc1)N(C=O)C(C(=O)Nc2c(C)cccc2C)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E11 compound treatment 0.252 0.0168 0.62 0.252 0.00886 0.41 0.7277 0.9783 1547982 TimTec1_006787 C=CCC1(CCCCC1)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E12 compound treatment 0.266 0.0308 1.14 0.267 0.0239 1.09 1.5816 0.9997 1164189 TimTec1_006788 Cc1nc(N)nc(O)c1Oc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E13 compound treatment 0.254 0.0188 0.7 0.254 0.0109 0.5 0.8451 0.9862 1614806 TimTec1_006789 CCC1(C)CC(CC(=O)OC(C)CN(C)C)(CCO1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E14 compound treatment 0.252 0.0168 0.62 0.254 0.0109 0.5 0.7925 0.9937 1071490 TimTec1_006790 COc1ccc(CCNC(=O)C(c2ccccc2)c3ccccc3)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E15 compound treatment 0.265 0.0298 1.11 0.263 0.0199 0.91 1.4258 0.9952 1306668 TimTec1_006791 COc1ccc(C)cc1NCc2ccccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E16 compound treatment 0.295 0.0598 2.22 0.295 0.0519 2.37 3.2509 0.9995 1737928 TimTec1_006792 CCc1cc(C(=O)Cc2nc3ccccc3s2)c(O)cc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E17 compound treatment 0.279 0.0438 1.63 0.273 0.0299 1.37 2.1178 0.9962 1514112 TimTec1_006793 Clc1ccccc1CNC(=O)C2(CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E18 compound treatment 0.26 0.0248 0.92 0.26 0.0169 0.77 1.1972 0.9961 3088573 TimTec1_006794 CNCC(O)Cn1c2CCCCc2c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E19 compound treatment 0.271 0.0358 1.33 0.283 0.0399 1.82 2.2311 0.9879 1478401 TimTec1_006795 CCCC(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E20 compound treatment 0.257 0.0218 0.81 0.257 0.0139 0.63 1.0211 0.9927 1241738 TimTec1_006796 COc1ccc(CCNC(=O)C(C)(C)C)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E21 compound treatment 0.257 0.0218 0.81 0.258 0.0149 0.68 1.0535 0.9963 3087516 TimTec1_006797 CC(=O)Nc1c(O)nc(SCC(=O)N2CCOCC2)nc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E22 compound treatment 0.255 0.0198 0.74 0.257 0.0139 0.63 0.9685 0.9973 1605940 TimTec1_006798 S=C(NCC1CCCO1)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E23 mock treatment 0.256 0.0208 0.77 0.254 0.0109 0.5 0.8977 0.9773 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 E24 mock treatment 0.212 -0.0232 -0.86 0.248 0.00486 0.22 -0.4538 -0.5086 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F01 compound treatment 0.238 0.00277 0.1 0.24 -0.00314 -0.14 -0.029 -0.1639 1786318 TimTec1_006799 Cc1ccc(SCC(=O)Nc2cccnc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F02 compound treatment 0.289 0.0538 2.0 0.292 0.0489 2.24 2.9959 0.9984 3087518 TimTec1_006800 Cc1ccc2nc(Nc3cccc(c3)C(F)(F)F)c(C#N)cc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F03 compound treatment 0.257 0.0218 0.81 0.256 0.0129 0.59 0.9887 0.9877 1787075 TimTec1_006801 O=C(OCCN1CCOCC1)C(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F04 compound treatment 0.277 0.0418 1.55 0.277 0.0339 1.55 2.1947 1.0 3211957 TimTec1_006802 Cc1ccc(cc1)S(=O)(=O)C(CC(=O)c2ccco2)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F05 compound treatment 0.268 0.0328 1.22 0.265 0.0219 1.0 1.5694 0.9952 3087520 TimTec1_006803 COc1nc(nc2ccccc12)c3ccc(Cl)cc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F06 compound treatment 0.267 0.0318 1.18 0.262 0.0189 0.86 1.446 0.9881 1271720 TimTec1_006804 Cc1ccccc1OCc2nnc(N)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F07 compound treatment 0.279 0.0438 1.63 0.272 0.0289 1.32 2.0854 0.9946 1606230 TimTec1_006805 Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F08 compound treatment 0.273 0.0378 1.4 0.267 0.0239 1.09 1.7657 0.9923 1628397 TimTec1_006806 Cn1c(SCC(=O)NC2CCCCC2)nc3n(C)c(=O)n(C)c(=O)c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F09 compound treatment 0.261 0.0258 0.96 0.261 0.0179 0.82 1.2558 0.9969 1514196 TimTec1_006807 OC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F10 compound treatment 0.262 0.0268 1.0 0.262 0.0189 0.86 1.3145 0.9975 1327645 TimTec1_006808 Nc1cccc(c1)C(=O)Nc2nccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F11 compound treatment 0.263 0.0278 1.03 0.262 0.0189 0.86 1.3408 0.996 1408003 TimTec1_006809 CC(CC(=O)O)n1nnc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F12 compound treatment 0.261 0.0258 0.96 0.261 0.0179 0.82 1.2558 0.9969 3211958 TimTec1_006810 NC(=O)Cn1nc(c2CCCCc21)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F13 compound treatment 0.267 0.0318 1.18 0.268 0.0249 1.14 1.6403 0.9998 1545556 TimTec1_006811 CNCC(O)CN1CCN(CC1)c2ccccc2OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F14 compound treatment 0.262 0.0268 1.0 0.259 0.0159 0.73 1.2174 0.988 1280870 TimTec1_006812 O=S1OCC(COc2cccc3ccccc23)O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F15 compound treatment 0.27 0.0348 1.29 0.272 0.0289 1.32 1.8487 0.9999 3087526 TimTec1_006813 CCc1ccc(nc1)c2ccc(Br)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F16 compound treatment 0.28 0.0448 1.67 0.282 0.0389 1.78 2.4355 0.9995 1386778 TimTec1_006814 COc1cc(ccc1OCC(=O)Nc2ccccc2C)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F17 compound treatment 0.27 0.0348 1.29 0.269 0.0259 1.18 1.7516 0.999 1919073 TimTec1_006815 CC(C)(C)S(=O)(=O)c1cccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F18 compound treatment 0.261 0.0258 0.96 0.261 0.0179 0.82 1.2558 0.9969 1656061 TimTec1_006816 COc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F19 compound treatment 0.274 0.0388 1.44 0.274 0.0309 1.41 2.0186 0.9999 1199433 TimTec1_006817 Cc1ccc2n3CCN(CC(O)CN4CCCC4)C5CCCc(c53)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F20 compound treatment 0.28 0.0448 1.67 0.273 0.0299 1.37 2.1441 0.9952 1221052 TimTec1_006818 Oc1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F21 compound treatment 0.262 0.0268 1.0 0.262 0.0189 0.86 1.3145 0.9975 1475350 TimTec1_006819 CCN1N=C(CCC1=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F22 compound treatment 0.256 0.0208 0.77 0.257 0.0139 0.63 0.9948 0.9952 1392419 TimTec1_006820 Cc1ccc(OCC(=O)N2CCN(CC3CC4CC3C=C4)CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F23 mock treatment 0.26 0.0248 0.92 0.261 0.0179 0.82 1.2295 0.9982 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 F24 mock treatment 0.235 -2.33E-4 -0.01 0.242 -0.00114 -0.05 -0.0431 -0.8133 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G01 compound treatment 0.227 -0.00823 -0.31 0.242 -0.00114 -0.05 -0.2535 -0.8161 1567385 TimTec1_006821 COc1ccc(CNc2cc(C)cc(C)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G02 compound treatment 0.251 0.0158 0.59 0.251 0.00786 0.36 0.6691 0.9725 3087531 TimTec1_006822 CC1CC2(CCCCC2)N(C(=O)C)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G03 compound treatment 0.247 0.0118 0.44 0.247 0.00386 0.18 0.4344 0.9203 3211959 TimTec1_006823 Cc1sc2ncnc(SCc3ccc(C)cc3)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G04 compound treatment 0.283 0.0478 1.78 0.283 0.0399 1.82 2.5467 0.9999 1130050 TimTec1_006824 CCC(C)OC(=O)C1=C(C)NC2=C(C1c3ccc(C)o3)C(=O)CC(C2)c4ccc(OC)c(OC)c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G05 compound treatment 0.249 0.0138 0.51 0.25 0.00686 0.31 0.5841 0.9724 1376669 TimTec1_006825 CC(Cc1ccccc1)NC(=O)C2CCCNC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G06 compound treatment 0.261 0.0258 0.96 0.263 0.0199 0.91 1.3206 0.9997 1285783 TimTec1_006826 OC(=O)C1C(C2CC1C=C2)C(=O)Nc3ccccc3O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G07 compound treatment 0.256 0.0208 0.77 0.253 0.00986 0.45 0.8653 0.9673 1630547 TimTec1_006827 OCC(NC(=O)c1cncc(O)c1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G08 compound treatment 0.256 0.0208 0.77 0.254 0.0109 0.5 0.8977 0.9773 1290578 TimTec1_006828 NC1=C(C#N)C2(CCCCC2)C(=C(N1)SCc3ccccc3)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G09 compound treatment 0.301 0.0658 2.45 0.3 0.0569 2.6 3.5705 0.9995 1492451 TimTec1_006829 O=C(CN(C1CCCCC1)C(=O)c2ccccc2)Nc3nc(cs3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G10 compound treatment 0.253 0.0178 0.66 0.253 0.00986 0.45 0.7864 0.9827 1506265 TimTec1_006830 CC(CN1CCCCC1)OC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G11 compound treatment 0.25 0.0148 0.55 0.251 0.00786 0.36 0.6428 0.979 1676645 TimTec1_006831 Clc1cccc(CN2CCN(CC2)C(=O)c3cccs3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G12 compound treatment 0.257 0.0218 0.81 0.261 0.0179 0.82 1.1506 1.0 1179682 TimTec1_006832 CCOc1ccc2nc3CCCCc3c(C(=O)O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G13 compound treatment 0.266 0.0308 1.14 0.262 0.0189 0.86 1.4197 0.9904 3212025 TimTec1_006833 CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G14 compound treatment 0.255 0.0198 0.74 0.256 0.0129 0.59 0.9361 0.9939 1719128 TimTec1_006834 CCCCC1CN2CCc3c([nH]c4ccccc34)C2(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G15 compound treatment 0.261 0.0258 0.96 0.259 0.0159 0.73 1.1911 0.9906 1540479 TimTec1_006835 CNC(=O)c1c(O)c2ccccc2n(C)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G16 compound treatment 0.267 0.0318 1.18 0.263 0.0199 0.91 1.4784 0.9916 3087554 TimTec1_006836 CC(C)C(=O)Nc1cccc2nsnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G17 compound treatment 0.259 0.0238 0.88 0.26 0.0169 0.77 1.1709 0.9977 1681031 TimTec1_006837 CCC(C)N1CCN(CC1)C(=O)C(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G18 compound treatment 0.254 0.0188 0.7 0.254 0.0109 0.5 0.8451 0.9862 1312686 TimTec1_006838 CCOC(=O)c1sc(nc1C)N2C(C(=C(O)C2=O)C(=O)c3ccc(OC)c(C)c3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G19 compound treatment 0.256 0.0208 0.77 0.258 0.0149 0.68 1.0272 0.998 3087555 TimTec1_006839 CC(=O)n1c(=O)n(C(=O)C)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G20 compound treatment 0.247 0.0118 0.44 0.249 0.00586 0.27 0.4991 0.9724 3212026 TimTec1_006840 COc1ccc(CNCCC2(CCOC(C)(C)C2)c3ccccc3)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G21 compound treatment 0.252 0.0168 0.62 0.249 0.00586 0.27 0.6306 0.9289 1426762 TimTec1_006841 CC(=C)CNCC1OCCc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G22 compound treatment 0.245 0.00977 0.36 0.244 8.57E-4 0.04 0.2846 0.779 1432528 TimTec1_006842 Fc1ccccc1C(=O)N2CCC(Cc3ccccc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G23 mock treatment 0.253 0.0178 0.66 0.255 0.0119 0.54 0.8512 0.9952 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 G24 mock treatment 0.22 -0.0152 -0.57 0.228 -0.0151 -0.69 -0.8909 -0.995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H01 compound treatment 0.217 -0.0182 -0.68 0.253 0.00986 0.45 -0.1604 -0.1969 1714695 TimTec1_006843 Nc1nncn1C(=O)c2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H02 compound treatment 0.256 0.0208 0.77 0.252 0.00886 0.41 0.8329 0.9548 3087557 TimTec1_006844 Cc1sc(NC(=O)c2cccc(C)c2)c(C#N)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H03 compound treatment 0.259 0.0238 0.88 0.26 0.0169 0.77 1.1709 0.9977 1542138 TimTec1_006845 OC(=O)CC(NC(=O)c1ccccc1Cl)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H04 compound treatment 0.253 0.0178 0.66 0.253 0.00986 0.45 0.7864 0.9827 1720177 TimTec1_006846 Brc1ccc(o1)C(=O)Nc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H05 compound treatment 0.255 0.0198 0.74 0.254 0.0109 0.5 0.8714 0.9818 1733502 TimTec1_006847 COc1ccccc1NC(=O)Cc2csc(N)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H06 compound treatment 0.27 0.0348 1.29 0.269 0.0259 1.18 1.7516 0.999 1681208 TimTec1_006848 O=C1OC2(C3CCCC2C31Sc4ccccc4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H07 compound treatment 0.262 0.0268 1.0 0.256 0.0129 0.59 1.1203 0.9686 1675342 TimTec1_006849 CC1(C)Cc2c(CO1)sc3c2c(=O)n(Cc4ccccc4)c5nncn53 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H08 compound treatment 0.253 0.0178 0.66 0.256 0.0129 0.59 0.8835 0.9983 3212027 TimTec1_006850 CC(C)CCn1c(nc2ccccc12)C(C)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H09 compound treatment 0.26 0.0248 0.92 0.26 0.0169 0.77 1.1972 0.9961 1775014 TimTec1_006851 Oc1c(C(=O)NCCN2CCOCC2)c(=O)[nH]c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H10 compound treatment 0.27 0.0348 1.29 0.269 0.0259 1.18 1.7516 0.999 1635890 TimTec1_006852 CCCCC(=O)Nc1sc2CCCCc2c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H11 compound treatment 0.259 0.0238 0.88 0.258 0.0149 0.68 1.1061 0.9916 3087563 TimTec1_006853 OC(=O)c1ccc(CSCc2ccccc2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H12 compound treatment 0.254 0.0188 0.7 0.253 0.00986 0.45 0.8127 0.9777 3212028 TimTec1_006854 C(Cc1nc2ccccc2s1)c3nc4ccccc4s3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H13 compound treatment 0.284 0.0488 1.81 0.284 0.0409 1.87 2.6054 0.9999 1288163 TimTec1_006855 CCc1nc(NCc2ccccc2)c(C#N)c3CC(C)(C)OCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H14 compound treatment 0.254 0.0188 0.7 0.253 0.00986 0.45 0.8127 0.9777 1574023 TimTec1_006856 O=C(CSCc1ccccc1)Nc2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H15 compound treatment 0.255 0.0198 0.74 0.257 0.0139 0.63 0.9685 0.9973 1780586 TimTec1_006857 COc1ccc(cc1OC)/C(=C/N2CCOCC2)/C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H16 compound treatment 0.299 0.0638 2.37 0.297 0.0539 2.47 3.4208 0.9998 1294188 TimTec1_006858 CCOC(=O)CSC1=C(C#N)C(C(=C(C)N1)C(=O)Nc2ccccc2OC)c3ccccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H17 compound treatment 0.29 0.0548 2.04 0.281 0.0379 1.73 2.6661 0.9968 1244483 TimTec1_006859 O=C(Nc1ccccn1)c2cccc(c2)C(=O)Nc3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H18 compound treatment 0.254 0.0188 0.7 0.253 0.00986 0.45 0.8127 0.9777 1620067 TimTec1_006860 OC(=O)CSCC(=O)N(c1ccccc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H19 compound treatment 0.262 0.0268 1.0 0.262 0.0189 0.86 1.3145 0.9975 3212030 TimTec1_006861 CN(C)c1ccc(cc1)C(=O)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H20 compound treatment 0.257 0.0218 0.81 0.258 0.0149 0.68 1.0535 0.9963 1410666 TimTec1_006862 CC(C)N1CCN(CC1)C(=O)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H21 compound treatment 0.26 0.0248 0.92 0.259 0.0159 0.73 1.1648 0.9931 3087568 TimTec1_006863 COC(=O)c1ccc(C(=O)OC)c2c(ccc(C(=O)OC)c12)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H22 compound treatment 0.252 0.0168 0.62 0.252 0.00886 0.41 0.7277 0.9783 1331832 TimTec1_006864 O=C(Cc1ccccc1)N2CCN(CCCc3ccccc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H23 mock treatment 0.255 0.0198 0.74 0.253 0.00986 0.45 0.839 0.9726 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 H24 mock treatment 0.245 0.00977 0.36 0.25 0.00686 0.31 0.4789 0.9974 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I01 compound treatment 0.241 0.00577 0.21 0.242 -0.00114 -0.05 0.1147 0.5194 1174741 TimTec1_006865 Brc1ccc(cc1)C(=O)N(C2CCCCC2)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I02 compound treatment 0.262 0.0268 1.0 0.26 0.0169 0.77 1.2498 0.9921 3087571 TimTec1_006866 COC(=O)C(N)CSC1CCCCO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I03 compound treatment 0.257 0.0218 0.81 0.258 0.0149 0.68 1.0535 0.9963 3212031 TimTec1_006867 COC(=O)c1ccccc1NC(=O)CSc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I04 compound treatment 0.26 0.0248 0.92 0.256 0.0129 0.59 1.0677 0.9766 1545093 TimTec1_006868 CCC(Sc1nc2ccccc2n1CC)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I05 compound treatment 0.271 0.0358 1.33 0.263 0.0199 0.91 1.5836 0.9828 1715211 TimTec1_006869 COc1ccc2[nH]c3c(=O)[nH]cnc3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I06 compound treatment 0.314 0.0788 2.93 0.307 0.0639 2.92 4.1391 1.0 3087574 TimTec1_006870 Cc1c(csc1c2ccccc2)C(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I07 compound treatment 0.274 0.0388 1.44 0.272 0.0289 1.32 1.9539 0.999 1913865 TimTec1_006871 c1c(nn(c1c2ccccc2)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I08 compound treatment 0.291 0.0558 2.07 0.289 0.0459 2.1 2.9514 1.0 1606194 TimTec1_006872 CCOc1ccc(cc1)N(Cc2cccc3ccccc23)C(=O)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I09 compound treatment 0.27 0.0348 1.29 0.269 0.0259 1.18 1.7516 0.999 1715376 TimTec1_006873 Cn1c(CC(O)c2cccc3ccccc23)nc4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I10 compound treatment 0.253 0.0178 0.66 0.252 0.00886 0.41 0.754 0.9725 1788181 TimTec1_006874 CC(CN1CCCCC1)OC(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I11 compound treatment 0.286 0.0508 1.89 0.282 0.0389 1.78 2.5933 0.9996 3212032 TimTec1_006875 CCc1ccc2[nH]c(=O)c(cc2c1)C(N3CCc4ccccc4C3)c5nnnn5C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I12 compound treatment 0.275 0.0398 1.48 0.273 0.0299 1.37 2.0126 0.9992 1156988 TimTec1_006876 CCc1nc2ccccc2c(C(=O)Nc3cccc(Cl)c3)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I13 compound treatment 0.254 0.0188 0.7 0.254 0.0109 0.5 0.8451 0.9862 1413757 TimTec1_006877 CCOc1ccccc1NC(=O)CSc2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I14 compound treatment 0.241 0.00577 0.21 0.243 -1.43E-4 -0.01 0.147 0.6852 1330225 TimTec1_006878 CCCN(CCC)c1ncnc2ccc(Br)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I15 compound treatment 0.252 0.0168 0.62 0.251 0.00786 0.36 0.6954 0.9658 1340925 TimTec1_006879 C(N1CCNCC1)c2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I16 compound treatment 0.292 0.0568 2.11 0.283 0.0399 1.82 2.7834 0.9974 1241212 TimTec1_006880 CCN1CCc2c(C#N)c(N)sc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I17 compound treatment 0.322 0.0868 3.23 0.306 0.0629 2.88 4.3171 0.9984 1412589 TimTec1_006881 Nc1c(sc2nccc(Nc3ccccc3)c12)C(=O)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I18 compound treatment 0.299 0.0638 2.37 0.298 0.0549 2.51 3.4532 0.9996 3212033 TimTec1_006882 CCc1noc2CC(C/C(=N/O)/c12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I19 compound treatment 0.253 0.0178 0.66 0.252 0.00886 0.41 0.754 0.9725 1592654 TimTec1_006883 O=C(CCN1CCCCC1)NCC2OCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I20 compound treatment 0.262 0.0268 1.0 0.262 0.0189 0.86 1.3145 0.9975 1513792 TimTec1_006884 O=c1oc2ccccc2n1Cn3c(=O)oc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I21 compound treatment 0.298 0.0628 2.33 0.299 0.0559 2.56 3.4593 0.999 1204391 TimTec1_006885 COc1ccc(cc1)c2c(C)oc3ccc(Cl)cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I22 compound treatment 0.268 0.0328 1.22 0.263 0.0199 0.91 1.5047 0.9896 1380204 TimTec1_006886 CCN(Cc1ccccc1)c2ccc(cc2)C3C4=C(CCCC4=O)Nc5[nH]c(=O)[nH]c(=O)c35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I23 mock treatment 0.261 0.0258 0.96 0.26 0.0169 0.77 1.2235 0.9942 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 I24 mock treatment 0.235 -2.33E-4 -0.01 0.236 -0.00714 -0.33 -0.2374 -0.7256 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J01 compound treatment 0.227 -0.00823 -0.31 0.245 0.00186 0.09 -0.1564 -0.4921 3087584 TimTec1_006887 Clc1nc(Cl)nc(Nc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J02 compound treatment 0.256 0.0208 0.77 0.254 0.0109 0.5 0.8977 0.9773 1255613 TimTec1_006888 CC1OC(C)C(C)C(O1)c2ccccc2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J03 compound treatment 0.256 0.0208 0.77 0.256 0.0129 0.59 0.9624 0.991 3212106 TimTec1_006889 CS(=O)(O)C1=C(O)C(=O)N(CCCC(=O)O)C1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J04 compound treatment 0.245 0.00977 0.36 0.244 8.57E-4 0.04 0.2846 0.779 1787696 TimTec1_006890 CCCOc1cccc(NC(=O)c2occc2C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J05 compound treatment 0.316 0.0808 3.0 0.31 0.0669 3.06 4.2888 1.0 1641308 TimTec1_006891 O=C(Cn1nnc(n1)c2ccccc2)N(c3ccccc3)c4ccc5ccccc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J06 compound treatment 0.246 0.0108 0.4 0.246 0.00286 0.13 0.3757 0.8917 1234881 TimTec1_006892 Nc1ncc(Cc2cccc(Cl)c2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J07 compound treatment 0.264 0.0288 1.07 0.263 0.0199 0.91 1.3995 0.9967 1553139 TimTec1_006893 O=S(=O)(N1CCOCC1)c2ccc3oc4ccccc4c3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J08 compound treatment 0.254 0.0188 0.7 0.253 0.00986 0.45 0.8127 0.9777 1369411 TimTec1_006894 OC(COc1ccccc1Br)CN2CCNCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J09 compound treatment 0.257 0.0218 0.81 0.26 0.0169 0.77 1.1183 0.9997 3212107 TimTec1_006895 Cc1ccc(SCC(=O)NC(C)(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J10 compound treatment 0.25 0.0148 0.55 0.253 0.00986 0.45 0.7075 0.9952 3087605 TimTec1_006896 NC(Cc1cccc2nsnc12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J11 compound treatment 0.261 0.0258 0.96 0.261 0.0179 0.82 1.2558 0.9969 1081906 TimTec1_006897 Clc1ccc(OCc2ccccc2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J12 compound treatment 0.255 0.0198 0.74 0.254 0.0109 0.5 0.8714 0.9818 1194697 TimTec1_006898 CC1(C)CC(=O)c2cc3c(N)c(sc3nc2C1)C(=O)c4ccc(Cl)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J13 compound treatment 0.256 0.0208 0.77 0.253 0.00986 0.45 0.8653 0.9673 1782465 TimTec1_006899 CNc1c(NC(=O)C)c(=O)oc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J14 compound treatment 0.238 0.00277 0.1 0.24 -0.00314 -0.14 -0.029 -0.1639 1212146 TimTec1_006900 O=C(COc1ccccc1)NCc2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J15 compound treatment 0.355 0.12 4.45 0.349 0.106 4.85 6.5772 0.9991 1194336 TimTec1_006901 COc1ccc(Nc2nc3nonc3nc2N4CCCCCC4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J16 compound treatment 0.25 0.0148 0.55 0.252 0.00886 0.41 0.6751 0.9889 1574232 TimTec1_006902 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4cccs4)C(=O)C5CC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J17 compound treatment 0.292 0.0568 2.11 0.293 0.0499 2.28 3.1072 0.9992 1580883 TimTec1_006903 Nc1c(C#N)sc2nc(N3CCCCC3)c4CCCCc4c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J18 compound treatment 0.256 0.0208 0.77 0.255 0.0119 0.54 0.9301 0.9851 3212108 TimTec1_006904 CC(NC(=O)c1ccccc1)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J19 compound treatment 0.26 0.0248 0.92 0.259 0.0159 0.73 1.1648 0.9931 1166248 TimTec1_006905 CSc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J20 compound treatment 0.258 0.0228 0.85 0.255 0.0119 0.54 0.9827 0.9769 3087610 TimTec1_006906 CCC(Cc1ccccc1)NC(=O)CC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J21 compound treatment 0.27 0.0348 1.29 0.268 0.0249 1.14 1.7192 0.998 1446397 TimTec1_006907 OC(=O)c1ccc2[nH]c3CCSCc3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J22 compound treatment 0.251 0.0158 0.59 0.252 0.00886 0.41 0.7014 0.9838 1265101 TimTec1_006908 CC(CN1CCOCC1)OC(=O)C2COc3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J23 mock treatment 0.253 0.0178 0.66 0.254 0.0109 0.5 0.8188 0.9902 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 J24 mock treatment 0.215 -0.0202 -0.75 0.225 -0.0181 -0.83 -1.1196 -0.9988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K01 compound treatment 0.221 -0.0142 -0.53 0.242 -0.00114 -0.05 -0.4114 -0.7732 1298728 TimTec1_006909 Clc1ccc(OCC(=O)N(C2CCCCC2)c3ccccn3)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K02 compound treatment 0.27 0.0348 1.29 0.275 0.0319 1.46 1.9458 0.9982 1532077 TimTec1_006910 Cc1c(C)c2cc(ccc2n1Cc3ccccc3)C(=O)OCCN4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K03 compound treatment 0.254 0.0188 0.7 0.252 0.00886 0.41 0.7803 0.9666 1516458 TimTec1_006911 OC1(CCN(Cc2ccccc2)[C@@H]3CCCC[C@@H]31)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K04 compound treatment 0.253 0.0178 0.66 0.251 0.00786 0.36 0.7217 0.9591 1296444 TimTec1_006912 Fc1ccccc1C(=O)N2CCNCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K05 compound treatment 0.257 0.0218 0.81 0.256 0.0129 0.59 0.9887 0.9877 1669803 TimTec1_006913 CC(=O)Nc1ccc(cc1)C(C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K06 compound treatment 0.252 0.0168 0.62 0.252 0.00886 0.41 0.7277 0.9783 3212109 TimTec1_006914 CCC1CCCCN1C(=O)c2ccc(cc2)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K07 compound treatment 0.248 0.0128 0.47 0.251 0.00786 0.36 0.5902 0.9906 1352014 TimTec1_006915 CCOc1ccc(CN2CCN(Cc3ccco3)CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K08 compound treatment 0.257 0.0218 0.81 0.257 0.0139 0.63 1.0211 0.9927 1338673 TimTec1_006916 COc1ccc(CCNC(=O)c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K09 compound treatment 0.262 0.0268 1.0 0.261 0.0179 0.82 1.2821 0.9952 1695069 TimTec1_006917 COc1ccc(cc1)c2csc(NCC=C)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K10 compound treatment 0.252 0.0168 0.62 0.253 0.00986 0.45 0.7601 0.9874 1788186 TimTec1_006918 CC(CN1CCOCC1)OC(=O)c2ccc3OCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K11 compound treatment 0.258 0.0228 0.85 0.254 0.0109 0.5 0.9503 0.9678 3212110 TimTec1_006919 CCc1ccc2[nH]c(=O)c(cc2c1)C(N3CCN(CC3)C(=O)c4ccco4)c5nnnn5C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K12 compound treatment 0.271 0.0358 1.33 0.276 0.0329 1.5 2.0045 0.9981 1144082 TimTec1_006920 CCc1c(C)nc2ccc(OC)cc2c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K13 compound treatment 0.258 0.0228 0.85 0.259 0.0159 0.73 1.1122 0.9971 1778845 TimTec1_006921 OC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K14 compound treatment 0.257 0.0218 0.81 0.258 0.0149 0.68 1.0535 0.9963 3087618 TimTec1_006922 CCN(CC)c1scc([s+]1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K15 compound treatment 0.26 0.0248 0.92 0.262 0.0189 0.86 1.2619 0.9995 1353321 TimTec1_006923 CCCOc1ccc(cc1)C(=O)N2CCCC2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K16 compound treatment 0.257 0.0218 0.81 0.256 0.0129 0.59 0.9887 0.9877 1042930 TimTec1_006924 CC(C)CCOc1ccc(cc1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K17 compound treatment 0.264 0.0288 1.07 0.262 0.0189 0.86 1.3671 0.9943 1312438 TimTec1_006925 CC(NC(=O)c1ccccc1)C2COc3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K18 compound treatment 0.255 0.0198 0.74 0.256 0.0129 0.59 0.9361 0.9939 1382221 TimTec1_006926 CCOC(=O)c1[nH]c2ccccc2c1NC=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K19 compound treatment 0.299 0.0638 2.37 0.294 0.0509 2.33 3.3237 1.0 1215729 TimTec1_006927 Cc1cc2c(o1)-c3c(CCC2(C)c4ccccc4)oc5ccccc35 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K20 compound treatment 0.251 0.0158 0.59 0.25 0.00686 0.31 0.6367 0.9571 1052507 TimTec1_006928 OC(CC(=O)Nc1ccccc1)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K21 compound treatment 0.26 0.0248 0.92 0.259 0.0159 0.73 1.1648 0.9931 3087624 TimTec1_006929 COC(=O)CCCCC1=C(NC(=O)C)C(CS1)NC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K22 compound treatment 0.255 0.0198 0.74 0.255 0.0119 0.54 0.9038 0.9889 3212111 TimTec1_006930 CC1CCN(CC1)C(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K23 mock treatment 0.259 0.0238 0.88 0.259 0.0159 0.73 1.1385 0.9952 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 K24 mock treatment 0.231 -0.00423 -0.16 0.238 -0.00514 -0.24 -0.2778 -0.9809 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L01 compound treatment 0.249 0.0138 0.51 0.245 0.00186 0.09 0.4222 0.8134 1026720 TimTec1_006931 Cc1nc2ccc(cc2nc1C)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L02 compound treatment 0.255 0.0198 0.74 0.254 0.0109 0.5 0.8714 0.9818 1370462 TimTec1_006932 CCc1ccc(CN2CCN(CC2)C(=O)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L03 compound treatment 0.265 0.0298 1.11 0.265 0.0219 1.0 1.4905 0.9987 3212112 TimTec1_006933 C(Cc1ccc2OCOc2c1)NCc3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L04 compound treatment 0.261 0.0258 0.96 0.261 0.0179 0.82 1.2558 0.9969 1152478 TimTec1_006934 COc1cc(cc(OC)c1OC)C(=O)N2CCNCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L05 compound treatment 0.255 0.0198 0.74 0.255 0.0119 0.54 0.9038 0.9889 1921415 TimTec1_006935 O=C(C(c1ccccc1)c2ccccc2)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L06 compound treatment 0.263 0.0278 1.03 0.263 0.0199 0.91 1.3732 0.998 1655667 TimTec1_006936 OC(=O)CCNC(=O)c1ccc2OCCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L07 compound treatment 0.253 0.0178 0.66 0.251 0.00786 0.36 0.7217 0.9591 1189724 TimTec1_006937 COc1ccc(cc1)C(=O)NC(C)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L08 compound treatment 0.288 0.0528 1.96 0.284 0.0409 1.87 2.7106 0.9997 3212113 TimTec1_006938 COc1ccc(cc1)C2CC(=O)C=C(C2)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L09 compound treatment 0.276 0.0408 1.52 0.276 0.0329 1.5 2.136 1.0 3087630 TimTec1_006939 Brc1ccc(cc1)C(=O)COC(=O)Cc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L10 compound treatment 0.271 0.0358 1.33 0.272 0.0289 1.32 1.875 1.0 3212114 TimTec1_006940 CC1CCN(C2CCCCC12)C(=O)c3cc4nc(cc(n4n3)C(F)(F)F)c5ccco5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L11 compound treatment 0.254 0.0188 0.7 0.253 0.00986 0.45 0.8127 0.9777 3087632 TimTec1_006941 Nc1ccc(cc1)S(=O)(=O)CCC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L12 compound treatment 0.27 0.0348 1.29 0.27 0.0269 1.23 1.7839 0.9997 1238387 TimTec1_006942 COc1ccc2oc(C)c(C(O)c3cc4ccccc4o3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L13 compound treatment 0.262 0.0268 1.0 0.261 0.0179 0.82 1.2821 0.9952 1613108 TimTec1_006943 OC1=C(C(N(CC=C)C1=O)c2ccccc2Cl)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L14 compound treatment 0.255 0.0198 0.74 0.253 0.00986 0.45 0.839 0.9726 1237166 TimTec1_006944 Cc1ccc(cc1)C(N)(CC=C)CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L15 compound treatment 0.257 0.0218 0.81 0.259 0.0159 0.73 1.0859 0.9985 1169243 TimTec1_006945 CC1(C)CC(CCO1)NCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L16 compound treatment 0.272 0.0368 1.37 0.274 0.0309 1.41 1.966 0.9999 3212188 TimTec1_006946 Cc1ccsc1/C=N/c2ccc(Nc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L17 compound treatment 0.262 0.0268 1.0 0.263 0.0199 0.91 1.3469 0.999 1316960 TimTec1_006947 CC1(C)Cc2c(CO1)c(nc3sc(C#N)c(N)c23)N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L18 compound treatment 0.261 0.0258 0.96 0.26 0.0169 0.77 1.2235 0.9942 1615665 TimTec1_006948 CCCCn1c(=O)c(C(=O)Nc2nccs2)c(O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L19 compound treatment 0.264 0.0288 1.07 0.263 0.0199 0.91 1.3995 0.9967 1477509 TimTec1_006949 O=C(Oc1ccccc1)Oc2ccc3c(c2)oc(=O)c4ccccc43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L20 compound treatment 0.266 0.0308 1.14 0.265 0.0219 1.0 1.5168 0.9978 1785312 TimTec1_006950 CCc1c(C(=O)O)c2ccccc2[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L21 compound treatment 0.248 0.0128 0.47 0.249 0.00586 0.27 0.5254 0.9634 1349942 TimTec1_006951 Cc1cccc(NC(=O)c2ccc(Br)o2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L22 compound treatment 0.274 0.0388 1.44 0.266 0.0229 1.05 1.7596 0.9876 1693483 TimTec1_006952 OC(=O)c1ccc(cc1)C2Nc3ccccc3C4C=CCC42 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L23 mock treatment 0.254 0.0188 0.7 0.255 0.0119 0.54 0.8775 0.9923 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 L24 mock treatment 0.227 -0.00823 -0.31 0.242 -0.00114 -0.05 -0.2535 -0.8161 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M01 compound treatment 0.223 -0.0122 -0.46 0.233 -0.0101 -0.46 -0.6501 -0.9999 3087638 TimTec1_006953 C[N+]1(CCC(=N1)N)c2cccc(c2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M02 compound treatment 0.262 0.0268 1.0 0.263 0.0199 0.91 1.3469 0.999 1194545 TimTec1_006954 OC(=O)COc1cccc2nsnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M03 compound treatment 0.291 0.0558 2.07 0.285 0.0419 1.92 2.8219 0.9992 1448407 TimTec1_006955 CCOC(=O)C1=C(NC(=O)c2ccccc2)c3ccccc3CC41CCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M04 compound treatment 0.326 0.0908 3.38 0.32 0.0769 3.52 4.8756 0.9998 1380989 TimTec1_006956 COC(=O)C1=C(C)NC2=C(C1c3cccc4ccccc34)C(=O)CC(C2)c5ccc(OC)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M05 compound treatment 0.261 0.0258 0.96 0.259 0.0159 0.73 1.1911 0.9906 1304492 TimTec1_006957 Fc1ccc(cc1)C(=O)CCCN2Cc3ccccc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M06 compound treatment 0.274 0.0388 1.44 0.296 0.0529 2.42 2.7309 0.9694 1290371 TimTec1_006958 CCCn1c2nc(C)c(C(=O)c3cccs3)n2c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M07 compound treatment 0.315 0.0798 2.97 0.314 0.0709 3.24 4.392 0.999 1210412 TimTec1_006959 Cc1ccc(NC(=O)c2c3CCCCc3nc4ccccc24)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M08 compound treatment 0.317 0.0818 3.04 0.32 0.0769 3.52 4.6389 0.9974 1472306 TimTec1_006960 Cc1ccc2nc(NC(=O)c3ccccc3F)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M09 compound treatment 0.253 0.0178 0.66 0.254 0.0109 0.5 0.8188 0.9902 3212189 TimTec1_006961 CCN(CC)c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(OCc3ccc(Cl)cc3Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M10 compound treatment 0.248 0.0128 0.47 0.247 0.00386 0.18 0.4607 0.9092 1788812 TimTec1_006962 CC1=Nc2ccccc2NC(=O)C1Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M11 compound treatment 0.254 0.0188 0.7 0.254 0.0109 0.5 0.8451 0.9862 1185528 TimTec1_006963 CCCOc1ccc(cc1OC)C(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M12 compound treatment 0.262 0.0268 1.0 0.261 0.0179 0.82 1.2821 0.9952 1123483 TimTec1_006964 CC(C)N1CCN(CC1)C(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M13 compound treatment 0.259 0.0238 0.88 0.257 0.0139 0.63 1.0737 0.9868 3087674 TimTec1_006965 COc1ccc(CNc2ccccc2)cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M14 compound treatment 0.262 0.0268 1.0 0.264 0.0209 0.95 1.3793 0.9998 3212190 TimTec1_006966 N1c2ccccc2[S+](c3ccccc3)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M15 compound treatment 0.264 0.0288 1.07 0.26 0.0169 0.77 1.3024 0.9872 1703037 TimTec1_006967 CCOC(=O)c1ccc(NC(=O)C2C3CCCCC23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M16 compound treatment 0.258 0.0228 0.85 0.259 0.0159 0.73 1.1122 0.9971 1401277 TimTec1_006968 O=C(N1CCn2c1nc3ccccc23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M17 compound treatment 0.251 0.0158 0.59 0.252 0.00886 0.41 0.7014 0.9838 3087677 TimTec1_006969 CCn1c(nc2ccccc12)c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M18 compound treatment 0.262 0.0268 1.0 0.26 0.0169 0.77 1.2498 0.9921 3087679 TimTec1_006970 CC1=CC(C)(C)NC(=O)N1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M19 compound treatment 0.267 0.0318 1.18 0.265 0.0219 1.0 1.5431 0.9966 1777670 TimTec1_006971 COc1ccc(/C=C/C2=CCN(Cc3ccccc3)CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M20 compound treatment 0.265 0.0298 1.11 0.261 0.0179 0.82 1.361 0.9889 3212191 TimTec1_006972 FC(F)(F)c1c2CCc3ccccc3-c2nc4cc(nn14)C(=O)NCc5ccco5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M21 compound treatment 0.249 0.0138 0.51 0.248 0.00486 0.22 0.5193 0.9303 1654108 TimTec1_006973 Sc1nnc([nH]1)C2COc3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M22 compound treatment 0.267 0.0318 1.18 0.265 0.0219 1.0 1.5431 0.9966 3212192 TimTec1_006974 O/N=C\1/CCCc2nn(nc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M23 mock treatment 0.253 0.0178 0.66 0.253 0.00986 0.45 0.7864 0.9827 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 M24 mock treatment 0.215 -0.0202 -0.75 0.228 -0.0151 -0.69 -1.0224 -0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N01 compound treatment 0.211 -0.0242 -0.9 0.241 -0.00214 -0.1 -0.7067 -0.7795 1462528 TimTec1_006975 CCOC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc4COC(C)(C)Cc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N02 compound treatment 0.254 0.0188 0.7 0.251 0.00786 0.36 0.748 0.9525 1444731 TimTec1_006976 COc1ccc2nc(nc(N3CCCCC3)c2c1)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N03 compound treatment 0.271 0.0358 1.33 0.281 0.0379 1.73 2.1664 0.9915 3212193 TimTec1_006977 NC(=O)CSc1ncnc2sc3CCCCc3c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N04 compound treatment 0.295 0.0598 2.22 0.293 0.0499 2.28 3.1861 0.9999 3087684 TimTec1_006978 COC(=O)c1ccc(Nc2nc(c(C)s2)c3ccc(Br)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N05 compound treatment 0.256 0.0208 0.77 0.25 0.00686 0.31 0.7682 0.9213 3212194 TimTec1_006979 CC(C)(C)c1ccc(cc1)c2nnnn2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N06 compound treatment 0.249 0.0138 0.51 0.253 0.00986 0.45 0.6812 0.998 1782862 TimTec1_006980 O=C(CCNc1n[nH]c(=O)[nH]c1=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N07 compound treatment 0.254 0.0188 0.7 0.253 0.00986 0.45 0.8127 0.9777 1650008 TimTec1_006981 Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N08 compound treatment 0.246 0.0108 0.4 0.247 0.00386 0.18 0.4081 0.9323 1497501 TimTec1_006982 CC1CCN(CCC(=O)Nc2ccccc2F)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N09 compound treatment 0.252 0.0168 0.62 0.248 0.00486 0.22 0.5982 0.9035 1669677 TimTec1_006983 CCOC(=O)c1c(NC(=S)NCC(=C)C)scc1c2ccsc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N10 compound treatment 0.256 0.0208 0.77 0.258 0.0149 0.68 1.0272 0.998 3212195 TimTec1_006984 Oc1ccccc1C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N11 compound treatment 0.298 0.0628 2.33 0.287 0.0439 2.01 3.0708 0.9972 1273018 TimTec1_006985 CC1=CC(C)(C)c2ccccc2N1Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N12 compound treatment 0.247 0.0118 0.44 0.246 0.00286 0.13 0.402 0.88 3212196 TimTec1_006986 CCc1c(C)nc2ccc(C)cc2c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N13 compound treatment 0.253 0.0178 0.66 0.25 0.00686 0.31 0.6893 0.9421 1280587 TimTec1_006987 C(NC1CCCCC1)C2OCc3ccccc3CO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N14 compound treatment 0.261 0.0258 0.96 0.26 0.0169 0.77 1.2235 0.9942 1270926 TimTec1_006988 OC(=O)CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N15 compound treatment 0.303 0.0678 2.52 0.298 0.0549 2.51 3.5584 1.0 1479468 TimTec1_006989 O=C(NC(c1ccccc1)c2ccccc2)c3ccc4OCCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N16 compound treatment 0.254 0.0188 0.7 0.253 0.00986 0.45 0.8127 0.9777 1290955 TimTec1_006990 OCCN(CCO)C(=O)COc1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N17 compound treatment 0.249 0.0138 0.51 0.247 0.00386 0.18 0.487 0.899 3212197 TimTec1_006991 CC(C)(C)c1ccc(OCc2nnc(SCC(=O)N)n2c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N18 compound treatment 0.283 0.0478 1.78 0.286 0.0429 1.96 2.6439 0.9988 1452106 TimTec1_006992 CCC(=O)NC(c1ccc(cc1)C(C)C)c2c(O)ccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N19 compound treatment 0.253 0.0178 0.66 0.251 0.00786 0.36 0.7217 0.9591 1151230 TimTec1_006993 CC1(CN(Cc2ccccc2)CC3(C)CN(Cc4ccccc4)C1)C3=NO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N20 compound treatment 0.437 0.202 7.5 0.41 0.167 7.64 10.7089 1.0 3087690 TimTec1_006994 NC(=O)c/1cc2ccccc2o\c1=N/O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N21 compound treatment 0.256 0.0208 0.77 0.256 0.0129 0.59 0.9624 0.991 1301823 TimTec1_006995 OC(=O)CCS(=O)(=O)c1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N22 compound treatment 0.252 0.0168 0.62 0.248 0.00486 0.22 0.5982 0.9035 1570261 TimTec1_006996 CN(C)S(=O)(=O)Nc1ccc(cc1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N23 mock treatment 0.256 0.0208 0.77 0.254 0.0109 0.5 0.8977 0.9773 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 N24 mock treatment 0.242 0.00677 0.25 0.217 -0.0261 -1.2 -0.6684 -0.5465 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O01 compound treatment 0.256 0.0208 0.77 0.258 0.0149 0.68 1.0272 0.998 1350651 TimTec1_006997 COc1cccc(CC(Cc2nc3ccccc3[nH]2)c4nc5ccccc5[nH]4)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O02 compound treatment 0.267 0.0318 1.18 0.258 0.0149 0.68 1.3165 0.9656 1318205 TimTec1_006998 Cc1ccc(Cc2cnc(NC(=O)C(c3ccccc3)c4ccccc4)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O03 compound treatment 0.247 0.0118 0.44 0.252 0.00886 0.41 0.5962 0.9993 1553933 TimTec1_006999 Cc1cc(SCC(=O)N2CCCCC2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O04 compound treatment 0.244 0.00877 0.33 0.25 0.00686 0.31 0.4526 0.9998 1159118 TimTec1_007000 Cc1cc(C(=O)O)c2cc(F)ccc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O05 compound treatment 0.255 0.0198 0.74 0.251 0.00786 0.36 0.7743 0.9459 1599562 TimTec1_007001 C(CN1CCNCC1)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O06 compound treatment 0.249 0.0138 0.51 0.251 0.00786 0.36 0.6165 0.9851 3087694 TimTec1_007002 CC1CC(n2nc(cc2N1)C(=O)O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O07 compound treatment 0.244 0.00877 0.33 0.241 -0.00214 -0.1 0.1612 0.4734 1578115 TimTec1_007003 C(N1CCN(Cc2ccncc2)CC1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O08 compound treatment 0.215 -0.0202 -0.75 0.225 -0.0181 -0.83 -1.1196 -0.9988 1918993 TimTec1_007004 Oc1ccc(O)c(c1)[S+]2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O09 compound treatment 0.235 -2.33E-4 -0.01 0.243 -1.43E-4 -0.01 -0.0108 -0.9903 3212273 TimTec1_007005 O=C1NC(=C(C#N)C2(CCCC2)C1C#N)SCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O10 compound treatment 0.287 0.0518 1.93 0.286 0.0429 1.96 2.7491 1.0 1427630 TimTec1_007006 Clc1ccc(OCc2cn3ccccc3n2)c4ncccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O11 compound treatment 0.248 0.0128 0.47 0.248 0.00486 0.22 0.493 0.9403 1738341 TimTec1_007007 O=C(NCc1ccccc1)C2C3CCCCC23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O12 compound treatment 0.248 0.0128 0.47 0.252 0.00886 0.41 0.6225 0.9969 1437987 TimTec1_007008 COc1ccc(cc1)C(=O)NC(CC(C)C)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O13 compound treatment 0.267 0.0318 1.18 0.263 0.0199 0.91 1.4784 0.9916 3212274 TimTec1_007009 COc1ccc(Nc2nc(cs2)c3cccs3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O14 compound treatment 0.244 0.00877 0.33 0.248 0.00486 0.22 0.3878 0.9826 1279048 TimTec1_007010 Cc1ccc(NC(=O)CCN2CCCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O15 compound treatment 0.252 0.0168 0.62 0.251 0.00786 0.36 0.6954 0.9658 1265764 TimTec1_007011 COc1cc(OC)c(OC)cc1CN2CCN(CC2)C(=O)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O16 compound treatment 0.251 0.0158 0.59 0.245 0.00186 0.09 0.4748 0.8013 3087714 TimTec1_007012 CNc1nc(cc(n1)c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O17 compound treatment 0.274 0.0388 1.44 0.259 0.0159 0.73 1.533 0.9496 1652569 TimTec1_007013 C=C1C(C1C(=O)Nc2ccc3OCCOc3c2)C(=O)Nc4ccc5OCCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O18 compound treatment 0.247 0.0118 0.44 0.247 0.00386 0.18 0.4344 0.9203 3086771 TimTec1_007014 CCN(CC)CCn1cnc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O19 compound treatment 0.255 0.0198 0.74 0.247 0.00386 0.18 0.6448 0.8527 1705111 TimTec1_007015 COc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O20 compound treatment 0.247 0.0118 0.44 0.241 -0.00214 -0.1 0.2401 0.5353 3212275 TimTec1_007016 OC(=O)c1ccccc1NS(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O21 compound treatment 0.244 0.00877 0.33 0.248 0.00486 0.22 0.3878 0.9826 1788989 TimTec1_007017 CCOC(=O)c1c(C)nc2ccccc2c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O22 compound treatment 0.286 0.0508 1.89 0.264 0.0209 0.95 2.0105 0.9501 1226950 TimTec1_007018 CC(C)c1ccc2oc(nc2c1)c3ccc(N)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O23 mock treatment 0.238 0.00277 0.1 0.245 0.00186 0.09 0.1329 0.9955 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 O24 mock treatment 0.201 -0.0342 -1.27 0.216 -0.0271 -1.24 -1.7792 -0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P01 compound treatment 0.182 -0.0532 -1.98 0.212 -0.0311 -1.43 -2.4084 -0.987 3086772 TimTec1_007019 Cc1ccc(NCCNc2ccc(C)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P02 compound treatment 0.197 -0.0382 -1.42 0.204 -0.0391 -1.79 -2.2729 -0.9934 1505666 TimTec1_007020 Cc1sc(NC(=O)c2ccccc2F)c(C(=O)c3ccc(Cl)cc3)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P03 compound treatment 0.257 0.0218 0.81 0.261 0.0179 0.82 1.1506 1.0 3212276 TimTec1_007021 CC(C)c1ccc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccco4)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P04 compound treatment 0.228 -0.00723 -0.27 0.211 -0.0321 -1.47 -1.2309 -0.8227 1372504 TimTec1_007022 Nc1ccccc1SCC(=O)N2CCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P05 compound treatment 0.206 -0.0292 -1.09 0.224 -0.0191 -0.88 -1.3886 -0.9943 1334056 TimTec1_007023 CC(=O)Nc1cc2OCCOc2cc1N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P06 compound treatment 0.225 -0.0102 -0.38 0.217 -0.0261 -1.2 -1.1156 -0.8881 1286842 TimTec1_007024 CC(C(=O)Nc1cccc(C)c1)C(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P07 compound treatment 0.25 0.0148 0.55 0.247 0.00386 0.18 0.5133 0.8896 1511538 TimTec1_007025 Cc1cc(nc(n1)c2ccc(Br)cc2)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P08 compound treatment 0.231 -0.00423 -0.16 0.225 -0.0181 -0.83 -0.6987 -0.8264 3212277 TimTec1_007026 CCCC/C(=N\O)/c1c(C)[nH]c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P09 compound treatment 0.239 0.00377 0.14 0.232 -0.0111 -0.51 -0.2617 -0.4946 1544658 TimTec1_007027 O=c1oc2ccccc2cc1c3csc(n3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P10 compound treatment 0.255 0.0198 0.74 0.25 0.00686 0.31 0.7419 0.928 1397424 TimTec1_007028 Cc1ccc2cc(C)c(NCc3cccnc3)nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P11 compound treatment 0.209 -0.0262 -0.98 0.22 -0.0231 -1.06 -1.4392 -0.9992 3212278 TimTec1_007029 Cc1nc(nc(O)c1CC=C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P12 compound treatment 0.222 -0.0132 -0.49 0.217 -0.0261 -1.2 -1.1945 -0.9229 3086773 TimTec1_007030 CC1(C)CC(=O)C=C(C1)NN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P13 compound treatment 0.262 0.0268 1.0 0.267 0.0239 1.09 1.4764 0.9989 1421894 TimTec1_007031 Cc1ccc(O)c(c1)c2cc([nH]n2)c3ccc(cc3)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P14 compound treatment 0.273 0.0378 1.4 0.274 0.0309 1.41 1.9923 1.0 1581406 TimTec1_007032 Cc1ccccc1OCC(=O)Nc2cccc(c2)N3C(=O)c4ccccc4C3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P15 compound treatment 0.212 -0.0232 -0.86 0.234 -0.00914 -0.42 -0.9071 -0.9446 3086774 TimTec1_007033 O=S(=O)(Nc1ccc2ccccc2c1)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P16 compound treatment 0.212 -0.0232 -0.86 0.217 -0.0261 -1.2 -1.4575 -0.9872 3212279 TimTec1_007034 OC(=O)CCCNC1=NC(=O)CC(=O)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P17 compound treatment 0.254 0.0188 0.7 0.265 0.0219 1.0 1.2012 0.9845 1305963 TimTec1_007035 Cc1ccc(cc1S(=O)(=O)N)c2nnc(Nc3ccc(cc3)S(=O)(=O)N)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P18 compound treatment 0.214 -0.0212 -0.79 0.209 -0.0341 -1.56 -1.6639 -0.95 3086775 TimTec1_007036 CCN(CC)C(=O)C1CC(=O)OC1(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P19 compound treatment 0.235 -2.33E-4 -0.01 0.228 -0.0151 -0.69 -0.4964 -0.7159 1786463 TimTec1_007037 CC1(C)CC2(CCCN(CCCN3CCCC4(CCOC(C)(C)C4)C3)C2)CCO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P20 compound treatment 0.239 0.00377 0.14 0.232 -0.0111 -0.51 -0.2617 -0.4946 1468821 TimTec1_007038 O=C(OCC1CCCN2CCCCC12)c3ccc4OCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P21 compound treatment 0.209 -0.0262 -0.98 0.215 -0.0281 -1.29 -1.6011 -0.9906 1531258 TimTec1_007039 CCNC(=S)Nc1c(C)n(C)n(c2ccccc2)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P22 compound treatment 0.206 -0.0292 -1.09 0.226 -0.0171 -0.78 -1.3239 -0.9872 1580338 TimTec1_007040 CC(=O)N(CC(=O)Nc1ccc(C)cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P23 mock treatment 0.174 -0.0612 -2.28 0.189 -0.0541 -2.48 -3.3634 -0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2082 P24 mock treatment 0.197 -0.0382 -1.42 0.195 -0.0481 -2.2 -2.5643 -0.9775 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A01 compound treatment 0.184 -0.0573 -2.13 0.185 -0.0556 -2.55 -3.3081 -0.9961 1553711 TimTec1_007041 CC(=O)N1CCN(CC1)c2ccc(N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A02 compound treatment 0.19 -0.0513 -1.91 0.189 -0.0516 -2.36 -3.0208 -0.9944 3212280 TimTec1_007042 Cc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)NC3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A03 compound treatment 0.2 -0.0413 -1.54 0.216 -0.0246 -1.13 -1.8836 -0.9883 3212281 TimTec1_007043 O=C(CSc1ncnc2sc3CCCCc3c12)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A04 compound treatment 0.22 -0.0213 -0.79 0.232 -0.00859 -0.39 -0.8396 -0.9476 1162667 TimTec1_007044 CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c2cccc(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A05 compound treatment 0.253 0.0117 0.43 0.246 0.00541 0.25 0.4816 0.9647 3212282 TimTec1_007045 Nc1ccc(cc1Cl)c2nc3ccc(N)c(Cl)c3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A06 compound treatment 0.245 0.00366 0.14 0.226 -0.0146 -0.67 -0.3763 -0.5519 1490444 TimTec1_007046 CC(=O)Nc1ccc(cc1)c2nc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A07 compound treatment 0.214 -0.0273 -1.02 0.208 -0.0326 -1.49 -1.7744 -0.9825 1550978 TimTec1_007047 CCOC(=O)c1c(NC(=O)COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)sc4CCCCc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A08 compound treatment 0.21 -0.0313 -1.17 0.19 -0.0506 -2.32 -2.4624 -0.9495 1241536 TimTec1_007048 Cc1c(C)c2ccc(OCC(=O)N)cc2oc1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A09 compound treatment 0.229 -0.0123 -0.46 0.226 -0.0146 -0.67 -0.7971 -0.9832 1694138 TimTec1_007049 Nc1ccc(NC(=O)CCN2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A10 compound treatment 0.252 0.0107 0.4 0.237 -0.00359 -0.16 0.1639 0.382 1593211 TimTec1_007050 Nn1c(Nc2ccccc2)nc3sc4CCCc4c3c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A11 compound treatment 0.21 -0.0313 -1.17 0.217 -0.0236 -1.08 -1.5882 -0.9993 1077423 TimTec1_007051 CC(c1ccccc1)n2cncc2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A12 compound treatment 0.209 -0.0323 -1.2 0.223 -0.0176 -0.81 -1.4203 -0.981 3212283 TimTec1_007052 Cn1c(nc2ccccc12)c3nonc3NC(=O)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A13 compound treatment 0.208 -0.0333 -1.24 0.192 -0.0486 -2.22 -2.4502 -0.9619 3086776 TimTec1_007053 CN(C(=O)C)c1nc(N)n(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A14 compound treatment 0.231 -0.0103 -0.38 0.232 -0.00859 -0.39 -0.5503 -0.9999 1377163 TimTec1_007054 COc1ccc(CCNC2(Cc3ccccc3)CC(C)N(C)CC2C)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A15 compound treatment 0.205 -0.0363 -1.35 0.222 -0.0186 -0.85 -1.5579 -0.9751 3086777 TimTec1_007055 CCCSc1ncnc2sc3CCCCc3c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A16 compound treatment 0.207 -0.0343 -1.28 0.205 -0.0356 -1.63 -2.0557 -0.9927 1617565 TimTec1_007056 O=C(Oc1ccccn1)C2COc3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A17 compound treatment 0.206 -0.0353 -1.31 0.206 -0.0346 -1.58 -2.0496 -0.9957 1378399 TimTec1_007057 CC(C)Oc1ccccc1C(=O)NC(CO)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A18 compound treatment 0.223 -0.0183 -0.68 0.226 -0.0146 -0.67 -0.9549 -0.9999 1498887 TimTec1_007058 Cc1ccc(cc1)C(=O)CNc2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A19 compound treatment 0.241 -3.45E-4 -0.01 0.239 -0.00159 -0.07 -0.0606 -0.8189 3086778 TimTec1_007059 CCC(C)(C)C(=O)Nc1nnc(s1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A20 compound treatment 0.201 -0.0403 -1.5 0.203 -0.0376 -1.72 -2.2782 -0.9977 1197829 TimTec1_007060 OC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A21 compound treatment 0.244 0.00266 0.1 0.238 -0.00259 -0.12 -0.0141 -0.0913 1218361 TimTec1_007061 CC(C)(C)c1cn2c(nc3ccccc32)n1CCN4CCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A22 compound treatment 0.251 0.00966 0.36 0.232 -0.00859 -0.39 -0.0243 -0.0455 3086779 TimTec1_007062 CCOc1ccc(cc1)C2C(=CN(CCOC)C=C2C(=O)OC)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A23 mock treatment 0.187 -0.0543 -2.02 0.209 -0.0316 -1.45 -2.4522 -0.9865 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 A24 mock treatment 0.18 -0.0613 -2.28 0.173 -0.0676 -3.09 -3.8018 -0.9888 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B01 compound treatment 0.209 -0.0323 -1.2 0.221 -0.0196 -0.9 -1.485 -0.9896 3212284 TimTec1_007063 O=C(NCCNC1=NS(=O)(=O)c2ccccc12)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B02 compound treatment 0.255 0.0137 0.51 0.252 0.0114 0.52 0.7285 0.9999 1124094 TimTec1_007064 CC1CCN(CC1)C(=O)C2C(C3CC2C=C3)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B03 compound treatment 0.256 0.0147 0.55 0.255 0.0144 0.66 0.8519 0.9955 1411725 TimTec1_007065 Nc1ccc(cc1)c2cn3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B04 compound treatment 0.256 0.0147 0.55 0.26 0.0194 0.89 1.0138 0.9725 1787257 TimTec1_007066 Cn1c(=O)[nH]c(=O)c2n(CCN3CCOCC3)cnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B05 compound treatment 0.261 0.0197 0.73 0.265 0.0244 1.12 1.3072 0.9788 1500476 TimTec1_007067 COC1CCCCC1Nc2cc(C)ccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B06 compound treatment 0.257 0.0157 0.58 0.255 0.0144 0.66 0.8782 0.9981 3212358 TimTec1_007068 COC(=O)COc1ccc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B07 compound treatment 0.259 0.0177 0.66 0.261 0.0204 0.93 1.1251 0.9851 3086780 TimTec1_007069 Cc1ccc(NCC2COc3ccccc3O2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B08 compound treatment 0.271 0.0297 1.1 0.269 0.0284 1.3 1.6997 0.9966 3212359 TimTec1_007070 FC(F)(F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B09 compound treatment 0.278 0.0367 1.36 0.279 0.0384 1.76 2.2076 0.9921 3086781 TimTec1_007071 S=c1n(CCC#N)c2ccccc2n1CCC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B10 compound treatment 0.253 0.0117 0.43 0.25 0.00941 0.43 0.6111 1.0 1615066 TimTec1_007072 Cc1cc(nc(n1)N2CCOCC2)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B11 compound treatment 0.259 0.0177 0.66 0.258 0.0174 0.8 1.0279 0.9954 1329642 TimTec1_007073 OC(C(O)C(=O)Nc1ccccc1)C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B12 compound treatment 0.264 0.0227 0.84 0.264 0.0234 1.07 1.3537 0.9929 3086783 TimTec1_007074 COc1ccc(cc1)N(C(C(=O)NC2CCCCC2)c3ccc(C)o3)C(=O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B13 compound treatment 0.275 0.0337 1.25 0.282 0.0414 1.9 2.2258 0.9797 1156856 TimTec1_007075 COc1ccc(Cl)cc1NC(=O)CN(C2CCCCC2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B14 compound treatment 0.254 0.0127 0.47 0.258 0.0174 0.8 0.8964 0.9684 3086785 TimTec1_007076 Cc1cc(N)n(n1)C2CCOC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B15 compound treatment 0.251 0.00966 0.36 0.25 0.00941 0.43 0.5585 0.9959 3212360 TimTec1_007077 CN1CCCC(C1)OC(=O)C(C)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B16 compound treatment 0.258 0.0167 0.62 0.263 0.0224 1.03 1.1635 0.9708 1215637 TimTec1_007078 Nc1ccc(CCc2nc3ccccc3o2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B17 compound treatment 0.276 0.0347 1.29 0.276 0.0354 1.62 2.0578 0.9935 1249972 TimTec1_007079 CN(C)Cc1c(O)ccc2c(C)cc(=O)oc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B18 compound treatment 0.256 0.0147 0.55 0.256 0.0154 0.71 0.8843 0.9919 1386364 TimTec1_007080 CCn1ccnc1C(O)c2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B19 compound treatment 0.264 0.0227 0.84 0.262 0.0214 0.98 1.2889 0.9972 3086788 TimTec1_007081 CCSc1nsc(SCC)c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B20 compound treatment 0.255 0.0137 0.51 0.25 0.00941 0.43 0.6637 0.9966 3212361 TimTec1_007082 Cc1cc(NC(=O)c2sc(Nc3cccc(c3)C(F)(F)F)nc2N)no1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B21 compound treatment 0.258 0.0167 0.62 0.256 0.0154 0.71 0.9369 0.9979 3086790 TimTec1_007083 CN/1CCC\C1=N/c2ccccc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B22 compound treatment 0.253 0.0117 0.43 0.255 0.0144 0.66 0.773 0.9793 1642345 TimTec1_007084 CCCn1c(=O)c(C(=O)NCc2ccccc2)c(O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B23 mock treatment 0.249 0.00766 0.28 0.253 0.0124 0.57 0.603 0.949 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 B24 mock treatment 0.215 -0.0263 -0.98 0.243 0.00241 0.11 -0.6149 -0.6236 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C01 compound treatment 0.23 -0.0113 -0.42 0.192 -0.0486 -2.22 -1.8716 -0.8265 3086791 TimTec1_007085 O=C(C(Cc1ccccc1)N2C(=O)C3C4CC(C=C4)C3C2=O)N5CCOCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C02 compound treatment 0.254 0.0127 0.47 0.257 0.0164 0.75 0.8641 0.9746 3212362 TimTec1_007086 COc1ccc(cc1)N2C(=O)CC2(/C=C/c3ccccc3)C(=O)NC4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C03 compound treatment 0.243 0.00166 0.06 0.241 4.07E-4 0.02 0.0567 0.8818 3086839 TimTec1_007087 O=C(CSc1ncnc2sc3CCCCc3c12)OC4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C04 compound treatment 0.242 6.55E-4 0.02 0.249 0.00841 0.38 0.2894 0.7504 1133272 TimTec1_007088 O=C(NCC1CCCO1)C2CCN(CC3CCCCC3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C05 compound treatment 0.257 0.0157 0.58 0.26 0.0194 0.89 1.0401 0.979 1372624 TimTec1_007089 CCN(CC)c1nc(nc2ccccc12)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C06 compound treatment 0.247 0.00566 0.21 0.244 0.00341 0.16 0.2591 0.9892 1360767 TimTec1_007090 CCC(=O)Nc1sc2CCCCc2c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C07 compound treatment 0.264 0.0227 0.84 0.257 0.0164 0.75 1.1271 0.9984 3212363 TimTec1_007091 CCOC(=O)c1sc(NC(=O)C(CC)OC(=O)c2c3CCCc3nc4ccccc24)nc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C08 compound treatment 0.259 0.0177 0.66 0.257 0.0164 0.75 0.9956 0.9978 3086844 TimTec1_007092 Clc1ccc2oc(=O)c(cc2c1)c3nc4ccccc4s3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C09 compound treatment 0.245 0.00366 0.14 0.248 0.00741 0.34 0.336 0.9194 3212364 TimTec1_007093 OC(=O)C1Cc2[nH]cnc2C(N1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C10 compound treatment 0.249 0.00766 0.28 0.247 0.00641 0.29 0.4088 0.9999 3086846 TimTec1_007094 Cc1cc(C)n(CCSCC(=O)O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C11 compound treatment 0.242 6.55E-4 0.02 0.246 0.00541 0.25 0.1923 0.773 1326461 TimTec1_007095 O=C(COc1ccc2ccccc2c1)NCc3ccc4OCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C12 compound treatment 0.243 0.00166 0.06 0.251 0.0104 0.48 0.3805 0.7919 3086847 TimTec1_007096 Cc1csc(NC(=O)c2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C13 compound treatment 0.245 0.00366 0.14 0.248 0.00741 0.34 0.336 0.9194 1250239 TimTec1_007097 Brc1cc(Br)c2oc(=O)c(cc2c1)C(=O)N3CCCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C14 compound treatment 0.244 0.00266 0.1 0.245 0.00441 0.2 0.2125 0.946 3212365 TimTec1_007098 COc1cc(SC)ccc1C(=O)Nc2nnc(s2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C15 compound treatment 0.245 0.00366 0.14 0.242 0.00141 0.06 0.1417 0.9418 1524512 TimTec1_007099 Nc1ccc2[nH]c(nc2c1)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C16 compound treatment 0.253 0.0117 0.43 0.251 0.0104 0.48 0.6435 0.9989 1424180 TimTec1_007100 OC(=O)c1ccc(NC(=O)C2CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C17 compound treatment 0.255 0.0137 0.51 0.254 0.0134 0.61 0.7932 0.9956 1263746 TimTec1_007101 Oc1c2CCCc2nc3cc(nn13)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C18 compound treatment 0.256 0.0147 0.55 0.255 0.0144 0.66 0.8519 0.9955 1917903 TimTec1_007102 OC(=O)c1sc2cc(F)ccc2c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C19 compound treatment 0.247 0.00566 0.21 0.247 0.00641 0.29 0.3562 0.9867 1724549 TimTec1_007103 Clc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C20 compound treatment 0.239 -0.00234 -0.09 0.237 -0.00359 -0.16 -0.178 -0.956 1611210 TimTec1_007104 COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C21 compound treatment 0.245 0.00366 0.14 0.243 0.00241 0.11 0.1741 0.9946 1785828 TimTec1_007105 CCOC(=O)c1c(O)c2CCCCc2[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C22 compound treatment 0.237 -0.00434 -0.16 0.24 -5.93E-4 -0.03 -0.1335 -0.8144 3212366 TimTec1_007106 COc1ccc(cc1OC)C(N(C(=O)c2cc[nH]n2)c3ccc(F)cc3)C(=O)NC4CCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C23 mock treatment 0.24 -0.00134 -0.05 0.241 4.07E-4 0.02 -0.0222 -0.4155 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 C24 mock treatment 0.216 -0.0253 -0.94 0.231 -0.00959 -0.44 -0.9772 -0.9396 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D01 compound treatment 0.25 0.00866 0.32 0.236 -0.00459 -0.21 0.0789 0.2053 3086852 TimTec1_007107 Oc1ccc(cc1)N(Cc2cccs2)C3=NS(=O)(=O)c4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D02 compound treatment 0.291 0.0497 1.85 0.293 0.0524 2.4 3.0027 0.9916 1609213 TimTec1_007108 Clc1ccc(cc1)c2csc(n2)N3CCNC(=O)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D03 compound treatment 0.252 0.0107 0.4 0.248 0.00741 0.34 0.5201 0.997 1349191 TimTec1_007109 Cc1ccc(NC(=O)CC2(C)Nc3ccccc3C(=O)N2c4ccccc4C)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D04 compound treatment 0.282 0.0407 1.51 0.287 0.0464 2.12 2.5718 0.9861 1386349 TimTec1_007110 CCCCc1c(nc(N)c(C#N)c1c2ccc(O)c(OC)c2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D05 compound treatment 0.257 0.0157 0.58 0.255 0.0144 0.66 0.8782 0.9981 3086855 TimTec1_007111 Cc1ccccc1C(=O)N(CC#N)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D06 compound treatment 0.249 0.00766 0.28 0.248 0.00741 0.34 0.4412 0.9962 3212367 TimTec1_007112 Fc1ccc(NC(=O)CSc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D07 compound treatment 0.239 -0.00234 -0.09 0.244 0.00341 0.16 0.0486 0.2722 1055578 TimTec1_007113 Cc1nc2cc(Cl)ccc2n1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D08 compound treatment 0.258 0.0167 0.62 0.257 0.0164 0.75 0.9693 0.9954 1411696 TimTec1_007114 Cc1nc2c(nc(C)nc2o1)n3cc(F)c(=O)[nH]c3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D09 compound treatment 0.254 0.0127 0.47 0.255 0.0144 0.66 0.7993 0.9863 1520665 TimTec1_007115 NNC(=O)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D10 compound treatment 0.265 0.0237 0.88 0.266 0.0254 1.16 1.4448 0.9905 1312726 TimTec1_007116 CCOc1ccc2[nH]c(=O)c(cc2c1)C(N3CCc4ccccc34)c5nnnn5CCOC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D11 compound treatment 0.255 0.0137 0.51 0.257 0.0164 0.75 0.8904 0.9818 1686790 TimTec1_007117 CC(=O)N(c1ccccc1)c2nc(C)cc(C)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D12 compound treatment 0.249 0.00766 0.28 0.248 0.00741 0.34 0.4412 0.9962 3086859 TimTec1_007118 OC(=O)c1cccc2CN(C3CCCCC3)C(=O)c21 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D13 compound treatment 0.292 0.0507 1.88 0.316 0.0754 3.45 3.7737 0.9594 3212368 TimTec1_007119 Cc1ccc(cc1F)N(C(C(=O)NC2CCCC2)c3cccs3)C(=O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D14 compound treatment 0.27 0.0287 1.07 0.267 0.0264 1.21 1.6086 0.998 3086861 TimTec1_007120 COc1cccc(c1)N(C(C(=O)NC2CCCC2)c3cccs3)C(=O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D15 compound treatment 0.239 -0.00234 -0.09 0.238 -0.00259 -0.12 -0.1456 -0.9885 3086982 TimTec1_007121 CN1CCN(CC1)C(=O)c2cc(cc(c2)C(C)(C)C)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D16 compound treatment 0.266 0.0247 0.92 0.262 0.0214 0.98 1.3415 0.9994 3212443 TimTec1_007122 COc1cc(cc(OC)c1OC)C(=O)N(Cc2ccccc2)Cc3cc4ccc(C)cc4[nH]c3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D17 compound treatment 0.263 0.0217 0.81 0.261 0.0204 0.93 1.2303 0.9973 1384457 TimTec1_007123 CN(Cc1ccccc1)C(=O)COc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D18 compound treatment 0.261 0.0197 0.73 0.258 0.0174 0.8 1.0805 0.9991 1679436 TimTec1_007124 COc1ccc2CCc3sc(N)nc3-c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D19 compound treatment 0.253 0.0117 0.43 0.253 0.0124 0.57 0.7082 0.9911 1259187 TimTec1_007125 O=C1N(CN2CCN(Cc3ccc4OCOc4c3)CC2)C(=O)c5ccccc15 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D20 compound treatment 0.284 0.0427 1.59 0.286 0.0454 2.08 2.592 0.9911 3086919 TimTec1_007126 CC(C)(C)c1cc(c2c(N)c(sc2n1)C(=O)NC3CC3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D21 compound treatment 0.253 0.0117 0.43 0.252 0.0114 0.52 0.6759 0.9957 3212444 TimTec1_007127 CCN(CC)Cc1cc(C(=O)O)c(o1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D22 compound treatment 0.252 0.0107 0.4 0.255 0.0144 0.66 0.7467 0.9703 1398660 TimTec1_007128 Cc1cc(C(=O)O)c2cc(O)ccc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D23 mock treatment 0.252 0.0107 0.4 0.249 0.00841 0.38 0.5524 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 D24 mock treatment 0.239 -0.00234 -0.09 0.239 -0.00159 -0.07 -0.1132 -0.996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E01 compound treatment 0.239 -0.00234 -0.09 0.237 -0.00359 -0.16 -0.178 -0.956 1226206 TimTec1_007129 CC(C)(C)CC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E02 compound treatment 0.254 0.0127 0.47 0.253 0.0124 0.57 0.7345 0.9956 1700538 TimTec1_007130 CCNc1nc2nonc2nc1NCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E03 compound treatment 0.256 0.0147 0.55 0.257 0.0164 0.75 0.9167 0.9876 1567862 TimTec1_007131 Oc1c(C(=O)NC2CCCC2)c(=O)n3CCc4cccc1c43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E04 compound treatment 0.257 0.0157 0.58 0.26 0.0194 0.89 1.0401 0.979 1647305 TimTec1_007132 Cc1cc(on1)C2C(CC(=O)CC2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E05 compound treatment 0.257 0.0157 0.58 0.253 0.0124 0.57 0.8135 0.9999 1721107 TimTec1_007133 COc1cc(OC)cc(c1)C(=O)Nc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E06 compound treatment 0.276 0.0347 1.29 0.278 0.0374 1.71 2.1226 0.9902 1113188 TimTec1_007134 COc1ccc(cc1)c2onc3ccc(Cl)cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E07 compound treatment 0.262 0.0207 0.77 0.261 0.0204 0.93 1.204 0.9953 3212445 TimTec1_007135 COc1c2C=CC(=O)C(CC=C(C)C)(OC)c2nc3occc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E08 compound treatment 0.261 0.0197 0.73 0.266 0.0254 1.16 1.3395 0.9749 1237484 TimTec1_007136 Cc1cc(C)nc(NCC(O)CNc2ccccc2C)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E09 compound treatment 0.253 0.0117 0.43 0.255 0.0144 0.66 0.773 0.9793 1749456 TimTec1_007137 CCOc1ccc(NC(=O)c2cnccn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E10 compound treatment 0.269 0.0277 1.03 0.275 0.0344 1.58 1.8413 0.9787 1786928 TimTec1_007138 CCOc1ccc2nc(SCC(=O)OC3CCCCC3)c(C)cc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E11 compound treatment 0.257 0.0157 0.58 0.251 0.0104 0.48 0.7487 0.995 1398984 TimTec1_007139 Clc1ccc(cc1)n2c(=O)c3cc4c(=O)n(c5ccc(Cl)cc5)c(=O)c4cc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E12 compound treatment 0.276 0.0347 1.29 0.275 0.0344 1.58 2.0254 0.995 1228877 TimTec1_007140 C(Nc1c2CCCc2nc3ccccc13)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E13 compound treatment 0.257 0.0157 0.58 0.258 0.0174 0.8 0.9753 0.9881 3212446 TimTec1_007141 COC(=O)CC1OC(=O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E14 compound treatment 0.249 0.00766 0.28 0.249 0.00841 0.38 0.4735 0.989 1386546 TimTec1_007142 CC1CC(C)CN(CCC(=O)Nc2ccccc2)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E15 compound treatment 0.247 0.00566 0.21 0.248 0.00741 0.34 0.3886 0.9736 1311552 TimTec1_007143 O=C(Nc1ccncc1)C2COc3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E16 compound treatment 0.253 0.0117 0.43 0.251 0.0104 0.48 0.6435 0.9989 1687129 TimTec1_007144 O=C(NCC1CCCO1)c2ccc(CN3CCc4ccccc4C3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E17 compound treatment 0.306 0.0647 2.4 0.294 0.0534 2.45 3.4296 1.0 3212447 TimTec1_007145 CCCCc1n[nH]c2CC(C/C(=N/O)/c12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E18 compound treatment 0.266 0.0247 0.92 0.265 0.0244 1.12 1.4387 0.9952 1208623 TimTec1_007146 CCCc1nc2ccccc2n1CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E19 compound treatment 0.254 0.0127 0.47 0.251 0.0104 0.48 0.6698 1.0 3212448 TimTec1_007147 CCN(CC)CC(=O)OC1CC2CCC1(C)C2(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E20 compound treatment 0.252 0.0107 0.4 0.249 0.00841 0.38 0.5524 0.9999 1568959 TimTec1_007148 CC1CCc2c(C(=O)N3CCCCC3)c(NC(=O)c4ccccc4)sc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E21 compound treatment 0.289 0.0477 1.77 0.285 0.0444 2.03 2.6911 0.9977 1089037 TimTec1_007149 O=C(Nc1ccccc1)C2C(C3CC2C=C3)C(=O)Nc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E22 compound treatment 0.249 0.00766 0.28 0.25 0.00941 0.43 0.5059 0.9798 1510856 TimTec1_007150 COc1ccc(NC(=O)CCN2CCCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E23 mock treatment 0.253 0.0117 0.43 0.251 0.0104 0.48 0.6435 0.9989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 E24 mock treatment 0.244 0.00266 0.1 0.239 -0.00159 -0.07 0.0183 0.1488 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F01 compound treatment 0.251 0.00966 0.36 0.254 0.0134 0.61 0.688 0.9674 3212449 TimTec1_007151 COc1ccc(cc1)C(O)CNc2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F02 compound treatment 0.251 0.00966 0.36 0.249 0.00841 0.38 0.5261 0.9994 1155968 TimTec1_007152 CC(C)C1Nc2ccc(cc2C3C=CCC31)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F03 compound treatment 0.265 0.0237 0.88 0.263 0.0224 1.03 1.3476 0.9971 1259120 TimTec1_007153 CC(=O)Nc1c([nH]c2ccccc12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F04 compound treatment 0.263 0.0217 0.81 0.262 0.0214 0.98 1.2626 0.9952 3212450 TimTec1_007154 Cc1ccc2[nH]c(=O)c(CN(C3CCCCC3)C(=O)c4cccs4)cc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F05 compound treatment 0.257 0.0157 0.58 0.262 0.0214 0.98 1.1048 0.9691 1251350 TimTec1_007155 COc1ccc(CNCc2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F06 compound treatment 0.256 0.0147 0.55 0.258 0.0174 0.8 0.949 0.9828 1187651 TimTec1_007156 OCc1ccccc1CNC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F07 compound treatment 0.261 0.0197 0.73 0.266 0.0254 1.16 1.3395 0.9749 3086933 TimTec1_007157 Clc1ccc(Cn2nnc(n2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F08 compound treatment 0.26 0.0187 0.69 0.267 0.0264 1.21 1.3456 0.9652 1430421 TimTec1_007158 Cc1cccc(NC(=O)C2(CCOCC2)c3ccccc3)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F09 compound treatment 0.276 0.0347 1.29 0.266 0.0254 1.16 1.7341 0.9987 1706906 TimTec1_007159 O=C(Cc1cccs1)Nc2cccc(c2)c3nnc(o3)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F10 compound treatment 0.256 0.0147 0.55 0.257 0.0164 0.75 0.9167 0.9876 1276179 TimTec1_007160 OCC(C(=O)OC1CN2CCC1CC2)(c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F11 compound treatment 0.26 0.0187 0.69 0.259 0.0184 0.84 1.0866 0.9953 1576381 TimTec1_007161 CCN1CCN(CC1)C(=O)c2ccc(NC(=O)C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F12 compound treatment 0.273 0.0317 1.18 0.258 0.0174 0.8 1.3961 0.9819 1346949 TimTec1_007162 O=C(NC(c1ccccc1)c2ccccc2)C3COC4C=CC=CC4O3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F13 compound treatment 0.263 0.0217 0.81 0.271 0.0304 1.39 1.554 0.9662 3086988 TimTec1_007163 CCCN1C(=O)C(O)(C/C(=N\O)/C)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F14 compound treatment 0.323 0.0817 3.04 0.308 0.0674 3.09 4.33 1.0 1714688 TimTec1_007164 Cc1ccc(cc1)C2(CC(=O)Nc3ccccc3C)CCOC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F15 compound treatment 0.278 0.0367 1.36 0.27 0.0294 1.35 1.9162 1.0 1704815 TimTec1_007165 O=C(Cc1cccs1)NC(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F16 compound treatment 0.261 0.0197 0.73 0.254 0.0134 0.61 0.951 0.9962 3212451 TimTec1_007166 O=C(NC1CCCC1)C(N(Cc2cccs2)C(=O)c3csnn3)c4ccncc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F17 compound treatment 0.273 0.0317 1.18 0.27 0.0294 1.35 1.7847 0.9978 3086991 TimTec1_007167 CCCC(NC(=O)c1ccco1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F18 compound treatment 0.266 0.0247 0.92 0.256 0.0154 0.71 1.1473 0.9916 1420604 TimTec1_007168 C(CN1CCNCC1)OC(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F19 compound treatment 0.275 0.0337 1.25 0.274 0.0334 1.53 1.9668 0.995 1477182 TimTec1_007169 O=C(CC1c2ccccc2Oc3ccccc13)NCc4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F20 compound treatment 0.268 0.0267 0.99 0.262 0.0214 0.98 1.3941 1.0 3212452 TimTec1_007170 COc1ccc(cc1)C(=O)CN2C(=O)COc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F21 compound treatment 0.256 0.0147 0.55 0.255 0.0144 0.66 0.8519 0.9955 3086994 TimTec1_007171 CCc1ccc(CN2CCNCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F22 compound treatment 0.259 0.0177 0.66 0.256 0.0154 0.71 0.9632 0.9994 3212453 TimTec1_007172 O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc3ccccc3N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F23 mock treatment 0.257 0.0157 0.58 0.258 0.0174 0.8 0.9753 0.9881 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 F24 mock treatment 0.25 0.00866 0.32 0.228 -0.0126 -0.58 -0.1801 -0.2727 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G01 compound treatment 0.24 -0.00134 -0.05 0.231 -0.00959 -0.44 -0.3459 -0.7826 3086996 TimTec1_007173 Cc1cc(C)nc(SCC(=O)C2CC2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G02 compound treatment 0.259 0.0177 0.66 0.254 0.0134 0.61 0.8984 0.9994 1541773 TimTec1_007174 COc1ccc2nc(sc2c1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G03 compound treatment 0.214 -0.0273 -1.02 0.212 -0.0286 -1.31 -1.6449 -0.9922 1164972 TimTec1_007175 Oc1cccnc1NC(=O)c2c(O)c3cccc4CCn(c2=O)c43 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G04 compound treatment 0.253 0.0117 0.43 0.257 0.0164 0.75 0.8378 0.9659 1545465 TimTec1_007176 CC(C)CC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G05 compound treatment 0.258 0.0167 0.62 0.252 0.0114 0.52 0.8074 0.9964 1921627 TimTec1_007177 OC1CC(N(Cc2ccccc2)C1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G06 compound treatment 0.264 0.0227 0.84 0.258 0.0174 0.8 1.1594 0.9996 1246123 TimTec1_007178 CC(C)C(=O)Nc1sc(C)c(C)c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G07 compound treatment 0.251 0.00966 0.36 0.249 0.00841 0.38 0.5261 0.9994 1253428 TimTec1_007179 Brc1ccc(cc1)C(=O)CCN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G08 compound treatment 0.261 0.0197 0.73 0.267 0.0264 1.21 1.3719 0.971 1492540 TimTec1_007180 CCc1ccc(cc1)c2ccc(C(=O)O)n2C=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G09 compound treatment 0.26 0.0187 0.69 0.256 0.0154 0.71 0.9895 1.0 1193373 TimTec1_007181 O=C(Cn1nnc(n1)c2ccccc2)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G10 compound treatment 0.251 0.00966 0.36 0.253 0.0124 0.57 0.6556 0.9755 1348653 TimTec1_007182 CN(C)CCOC(=O)c1cc2ccccc2o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G11 compound treatment 0.252 0.0107 0.4 0.246 0.00541 0.25 0.4553 0.9743 3212764 TimTec1_007183 CC(C)CSc1ncnc2scc(c3ccccc3)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G12 compound treatment 0.267 0.0257 0.95 0.261 0.0204 0.93 1.3355 0.9999 3087000 TimTec1_007184 CCSc1cc(C)nc(NC(=O)CC)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G13 compound treatment 0.248 0.00666 0.25 0.25 0.00941 0.43 0.4796 0.9654 3212765 TimTec1_007185 CC1(CC2CC(C)(C)C1)CN2C(=O)c3ccccc3NC(=O)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G14 compound treatment 0.249 0.00766 0.28 0.253 0.0124 0.57 0.603 0.949 1024239 TimTec1_007186 COc1ccc(cc1)C(=O)CCN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G15 compound treatment 0.3 0.0587 2.18 0.303 0.0624 2.86 3.5632 0.9911 1148203 TimTec1_007187 Nc1c(C#N)c(NCC=C)sc1C(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G16 compound treatment 0.265 0.0237 0.88 0.26 0.0194 0.89 1.2505 1.0 3087003 TimTec1_007188 O=c1[nH]cnc2c1sc3nc(cc(c4ccccc4)c32)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G17 compound treatment 0.267 0.0257 0.95 0.266 0.0254 1.16 1.4974 0.9952 1761275 TimTec1_007189 Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c4ccccc4)c(=O)[nH]c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G18 compound treatment 0.257 0.0157 0.58 0.26 0.0194 0.89 1.0401 0.979 1350623 TimTec1_007190 Clc1ccccc1C2CC(=O)NC(=C2C#N)SCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G19 compound treatment 0.255 0.0137 0.51 0.255 0.0144 0.66 0.8256 0.9917 1434575 TimTec1_007191 CC(SCCc1ccccn1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G20 compound treatment 0.249 0.00766 0.28 0.243 0.00241 0.11 0.2793 0.9147 1246459 TimTec1_007192 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(OC)cc3)C(=O)CCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G21 compound treatment 0.306 0.0647 2.4 0.286 0.0454 2.08 3.1706 0.9974 1436571 TimTec1_007193 Cc1ccc(cc1)c2cc3nc(cc(N)n3n2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G22 compound treatment 0.254 0.0127 0.47 0.255 0.0144 0.66 0.7993 0.9863 1384558 TimTec1_007194 Clc1ccccc1NC(=O)C2(CCOCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G23 mock treatment 0.254 0.0127 0.47 0.252 0.0114 0.52 0.7022 0.9987 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 G24 mock treatment 0.237 -0.00434 -0.16 0.225 -0.0156 -0.71 -0.6191 -0.8458 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H01 compound treatment 0.253 0.0117 0.43 0.245 0.00441 0.2 0.4492 0.9395 1215845 TimTec1_007195 Cc1cc(C(=O)OCC(=O)c2cccs2)c3ccccc3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H02 compound treatment 0.257 0.0157 0.58 0.25 0.00941 0.43 0.7163 0.989 1761483 TimTec1_007196 Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c4ccco4)cc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H03 compound treatment 0.251 0.00966 0.36 0.252 0.0114 0.52 0.6233 0.9833 3212766 TimTec1_007197 CC(C)OC(=O)CSc1ncnc2scc(c3ccccc3)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H04 compound treatment 0.252 0.0107 0.4 0.256 0.0154 0.71 0.7791 0.9628 3087045 TimTec1_007198 OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H05 compound treatment 0.259 0.0177 0.66 0.257 0.0164 0.75 0.9956 0.9978 1782560 TimTec1_007199 O=C(CCNc1n[nH]c(=O)[nH]c1=O)NCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H06 compound treatment 0.289 0.0477 1.77 0.274 0.0334 1.53 2.335 0.9973 1787855 TimTec1_007200 COc1ccccc1NC(=O)C(Cc2ccc(C)cc2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H07 compound treatment 0.273 0.0317 1.18 0.278 0.0374 1.71 2.0437 0.9833 3212767 TimTec1_007201 Cc1ccc(N/C=C\2/C3CCC(C)(C2=O)C3(C)C)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H08 compound treatment 0.261 0.0197 0.73 0.261 0.0204 0.93 1.1777 0.9926 3212768 TimTec1_007202 CC1(C)CC(CCNCc2ccc3OCOc3c2)(Cc4ccccc4)CCO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H09 compound treatment 0.264 0.0227 0.84 0.263 0.0224 1.03 1.3213 0.9952 3087048 TimTec1_007203 CN1CCN(CC1)c2nc(nc3ccccc23)N4CCN(CCO)CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H10 compound treatment 0.258 0.0167 0.62 0.254 0.0134 0.61 0.8721 1.0 1914315 TimTec1_007204 CC(=O)N/C(=C\c1ccccc1)/C(=O)Nc2ccc(O)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H11 compound treatment 0.271 0.0297 1.1 0.296 0.0554 2.54 2.5738 0.9304 1295223 TimTec1_007205 Cc1ccc(cc1)C(=O)c2c(NC(=O)c3ccncc3)sc4CCCCc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H12 compound treatment 0.257 0.0157 0.58 0.253 0.0124 0.57 0.8135 0.9999 3087050 TimTec1_007206 OC(=O)CSc1ncnc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H13 compound treatment 0.254 0.0127 0.47 0.258 0.0174 0.8 0.8964 0.9684 1660199 TimTec1_007207 CCOc1cc(CN2CCN(CC2)C(=O)CC(C)C)ccc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H14 compound treatment 0.257 0.0157 0.58 0.258 0.0174 0.8 0.9753 0.9881 1413084 TimTec1_007208 OC(=O)CSCC(=O)Nc1ccccc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H15 compound treatment 0.261 0.0197 0.73 0.258 0.0174 0.8 1.0805 0.9991 1396450 TimTec1_007209 COc1ccc(cc1)c2ccc(CCC(=O)O)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H16 compound treatment 0.26 0.0187 0.69 0.252 0.0114 0.52 0.86 0.9902 3212769 TimTec1_007210 O=S(=O)(NC1CC2CCC1C2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H17 compound treatment 0.264 0.0227 0.84 0.266 0.0254 1.16 1.4185 0.9875 1132422 TimTec1_007211 CC(C)CCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H18 compound treatment 0.317 0.0757 2.81 0.305 0.0644 2.95 4.0751 0.9997 1184017 TimTec1_007212 Oc1c(ccc2cccnc12)C(NC(=O)c3ccccc3)c4ccc5OCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H19 compound treatment 0.305 0.0637 2.37 0.294 0.0534 2.45 3.4033 0.9999 1526246 TimTec1_007213 CCOc1ccc(cc1)c2cn3CCn4cccc4-c3c2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H20 compound treatment 0.248 0.00666 0.25 0.251 0.0104 0.48 0.512 0.9535 1615914 TimTec1_007214 C(C1CCCCC1)N2CCN(Cc3ccccc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H21 compound treatment 0.251 0.00966 0.36 0.251 0.0104 0.48 0.5909 0.9903 3212770 TimTec1_007215 FC(F)(F)C(=O)N(Cc1ccccc1)C(C(=O)NC2CCCC2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H22 compound treatment 0.251 0.00966 0.36 0.249 0.00841 0.38 0.5261 0.9994 1324827 TimTec1_007216 COc1ccc(CNC(C)c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H23 mock treatment 0.26 0.0187 0.69 0.257 0.0164 0.75 1.0219 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 H24 mock treatment 0.232 -0.00934 -0.35 0.229 -0.0116 -0.53 -0.6211 -0.9789 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I01 compound treatment 0.266 0.0247 0.92 0.246 0.00541 0.25 0.8235 0.867 3087054 TimTec1_007217 CCN(CC)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I02 compound treatment 0.261 0.0197 0.73 0.258 0.0174 0.8 1.0805 0.9991 3212771 TimTec1_007218 COc1cccc2cc(C(=O)Nc3ccccc3c4nnn(CC(=O)NC(C)(C)C)n4)c(=O)oc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I03 compound treatment 0.277 0.0357 1.33 0.283 0.0424 1.94 2.3108 0.9827 1785833 TimTec1_007219 CCCNC(=O)c1c(O)c2CCCCc2[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I04 compound treatment 0.245 0.00366 0.14 0.247 0.00641 0.29 0.3036 0.9389 1143730 TimTec1_007220 CC1(C)CC(CCO1)(C(CO)CNCc2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I05 compound treatment 0.272 0.0307 1.14 0.266 0.0254 1.16 1.6289 0.9999 1623536 TimTec1_007221 OC1=C(COC1=O)C(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I06 compound treatment 0.257 0.0157 0.58 0.253 0.0124 0.57 0.8135 0.9999 1590931 TimTec1_007222 O=S(=O)(CC(CN1CCCCC1)N2CCCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I07 compound treatment 0.261 0.0197 0.73 0.259 0.0184 0.84 1.1129 0.9975 1668547 TimTec1_007223 Oc1ccc(cc1)c2cccc(n2)c3ccc(O)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I08 compound treatment 0.27 0.0287 1.07 0.271 0.0304 1.39 1.7381 0.9913 1147480 TimTec1_007224 Cc1c(C#N)c(NC(=O)c2cccs2)sc1C(=O)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I09 compound treatment 0.252 0.0107 0.4 0.257 0.0164 0.75 0.8115 0.9553 1394770 TimTec1_007225 OCCCc1cn(c2ccccc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I10 compound treatment 0.272 0.0307 1.14 0.269 0.0284 1.3 1.726 0.9978 1050975 TimTec1_007226 Cc1ccc(cc1)c2nnc(o2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I11 compound treatment 0.256 0.0147 0.55 0.253 0.0124 0.57 0.7872 0.9998 1459697 TimTec1_007227 COc1cc(NC(=O)CCN2CCC(C)CC2)cc(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I12 compound treatment 0.272 0.0307 1.14 0.27 0.0294 1.35 1.7584 0.9966 1104871 TimTec1_007228 COC(=O)c1ccc2[n+]([O-])onc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I13 compound treatment 0.265 0.0237 0.88 0.258 0.0174 0.8 1.1857 0.9988 1491293 TimTec1_007229 COc1ccc2CC(O)c3cc4OCOc4cc3CCN(C)Cc2c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I14 compound treatment 0.258 0.0167 0.62 0.255 0.0144 0.66 0.9045 0.9995 3087121 TimTec1_007230 CC(Oc1ccccc1)C(=O)Nc2nnc(s2)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I15 compound treatment 0.262 0.0207 0.77 0.257 0.0164 0.75 1.0745 0.9999 1557638 TimTec1_007231 O=C(CCN1CCc2ccccc2C1)Nc3ccc4CCCc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I16 compound treatment 0.263 0.0217 0.81 0.251 0.0104 0.48 0.9065 0.9686 1332636 TimTec1_007232 NC(=O)CC1Sc2ccccc2NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I17 compound treatment 0.259 0.0177 0.66 0.266 0.0254 1.16 1.2869 0.9634 1711213 TimTec1_007233 CN(CCC(=O)Nc1ccc2OCOc2c1)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I18 compound treatment 0.268 0.0267 0.99 0.264 0.0234 1.07 1.4589 0.9992 3212772 TimTec1_007234 O=C(Nc1ccc(cc1)S(=O)(=O)N2CCCC2)/C=C/c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I19 compound treatment 0.261 0.0197 0.73 0.256 0.0154 0.71 1.0158 0.9998 3087124 TimTec1_007235 CC1Oc2ccccc2OC1C(=O)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I20 compound treatment 0.293 0.0517 1.92 0.282 0.0414 1.9 2.6992 1.0 1059391 TimTec1_007236 N1NC(=NN=C1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I21 compound treatment 0.253 0.0117 0.43 0.254 0.0134 0.61 0.7406 0.9855 1417338 TimTec1_007237 CCCCN(C)C(=O)C1CCN(Cc2ccc(OCC)cc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I22 compound treatment 0.269 0.0277 1.03 0.265 0.0244 1.12 1.5176 0.9991 1447122 TimTec1_007238 O=C(COC(=O)c1ccccc1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I23 mock treatment 0.259 0.0177 0.66 0.259 0.0184 0.84 1.0603 0.9924 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 I24 mock treatment 0.249 0.00766 0.28 0.231 -0.00959 -0.44 -0.1092 -0.2087 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J01 compound treatment 0.247 0.00566 0.21 0.233 -0.00759 -0.35 -0.0971 -0.2389 3087127 TimTec1_007239 O=C(CCCc1ccccc1)Nc2ccc3OCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J02 compound treatment 0.252 0.0107 0.4 0.249 0.00841 0.38 0.5524 0.9999 1381726 TimTec1_007240 CC(C)CC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J03 compound treatment 0.252 0.0107 0.4 0.252 0.0114 0.52 0.6496 0.9907 3087128 TimTec1_007241 O=C(Cc1ccccc1)N2CCN(CC2)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J04 compound treatment 0.282 0.0407 1.51 0.287 0.0464 2.12 2.5718 0.9861 3212853 TimTec1_007242 COC(=O)C1=CN(CCc2ccc(OC)cc2)C=C(C1c3ccsc3)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J05 compound treatment 0.251 0.00966 0.36 0.252 0.0114 0.52 0.6233 0.9833 3087130 TimTec1_007243 O=C(NCCC1=CCCCC1)c2ccc3snnc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J06 compound treatment 0.29 0.0487 1.81 0.286 0.0454 2.08 2.7498 0.9976 3212854 TimTec1_007244 Cc1ccc2nc(NC(=O)C(F)(F)F)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J07 compound treatment 0.256 0.0147 0.55 0.256 0.0154 0.71 0.8843 0.9919 3212855 TimTec1_007245 O=C(CC1CC2CCC1C2)NCc3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J08 compound treatment 0.26 0.0187 0.69 0.259 0.0184 0.84 1.0866 0.9953 3087132 TimTec1_007246 CCCC(C)C(=O)Nc1nnc(s1)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J09 compound treatment 0.255 0.0137 0.51 0.256 0.0154 0.71 0.858 0.987 1343394 TimTec1_007247 Cc1ccc(cc1)c2ccc(CCC(=O)O)[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J10 compound treatment 0.249 0.00766 0.28 0.249 0.00841 0.38 0.4735 0.989 3087133 TimTec1_007248 CN(C)c1ccc(cc1)C(CC=C)NCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J11 compound treatment 0.257 0.0157 0.58 0.255 0.0144 0.66 0.8782 0.9981 1169499 TimTec1_007249 CC(C)CNC(=O)c1ccc(Br)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J12 compound treatment 0.255 0.0137 0.51 0.249 0.00841 0.38 0.6313 0.9907 1620830 TimTec1_007250 NS(=O)(=O)c1cccc(c1)C(=O)NCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J13 compound treatment 0.267 0.0257 0.95 0.261 0.0204 0.93 1.3355 0.9999 1204293 TimTec1_007251 Nc1ncnc2[nH]c(SCc3nc4ccccc4n3Cc5ccccc5)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J14 compound treatment 0.254 0.0127 0.47 0.249 0.00841 0.38 0.605 0.995 1737852 TimTec1_007252 OC(=O)c1ccc(cc1)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J15 compound treatment 0.279 0.0377 1.4 0.267 0.0264 1.21 1.8453 0.9973 3212856 TimTec1_007253 CCCC(C)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J16 compound treatment 0.258 0.0167 0.62 0.25 0.00941 0.43 0.7426 0.9842 1787669 TimTec1_007254 OC(COCC1CCC=CC1)CN(Cc2ccccc2)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J17 compound treatment 0.268 0.0267 0.99 0.273 0.0324 1.48 1.7503 0.9808 1458427 TimTec1_007255 Oc1ccc(CN2CCCCC2)nc1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J18 compound treatment 0.296 0.0547 2.03 0.29 0.0494 2.26 3.0371 0.9986 1535978 TimTec1_007256 Oc1ccc2ccccc2c1C(NC(=O)CCc3ccccc3)c4ccc5OCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J19 compound treatment 0.257 0.0157 0.58 0.26 0.0194 0.89 1.0401 0.979 1729058 TimTec1_007257 CCOC(=O)c1c[nH]c2c(cccc2c1=O)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J20 compound treatment 0.248 0.00666 0.25 0.252 0.0114 0.52 0.5444 0.9418 1266090 TimTec1_007258 O=C(N1CCN(CC1)c2ncnc3sc4CCCCc4c23)c5ccco5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J21 compound treatment 0.257 0.0157 0.58 0.256 0.0154 0.71 0.9106 0.9955 1722077 TimTec1_007259 OC(=O)C1CNC(S1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J22 compound treatment 0.263 0.0217 0.81 0.278 0.0374 1.71 1.7807 0.9408 1633478 TimTec1_007260 OC(=O)c1c(NC(=O)c2ccc(F)cc2)scc1c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J23 mock treatment 0.254 0.0127 0.47 0.251 0.0104 0.48 0.6698 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 J24 mock treatment 0.243 0.00166 0.06 0.219 -0.0216 -0.99 -0.6556 -0.6618 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K01 compound treatment 0.339 0.0977 3.63 0.304 0.0634 2.9 4.6213 0.9938 3087134 TimTec1_007261 Nc1c(sc2nc(cc(c12)C(F)(F)F)c3cccs3)C(=O)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K02 compound treatment 0.257 0.0157 0.58 0.269 0.0284 1.3 1.3315 0.9343 3212857 TimTec1_007262 Cc1cnc(cn1)C(=O)Nc2ccccc2c3nnn(CC(=O)NC4CCCC4)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K03 compound treatment 0.251 0.00966 0.36 0.253 0.0124 0.57 0.6556 0.9755 1132974 TimTec1_007263 CC1CCCN(C1)C(=O)C2CCN(CC3CCCCC3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K04 compound treatment 0.287 0.0457 1.7 0.303 0.0624 2.86 3.2213 0.9691 3212858 TimTec1_007264 COC(=O)C1C(C(=C(CC1(C)O)Nc2ccc(C)cc2)C(=O)OC)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K05 compound treatment 0.267 0.0257 0.95 0.261 0.0204 0.93 1.3355 0.9999 1418415 TimTec1_007265 COc1ccc(cc1OC)C(C)N(C)CCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K06 compound treatment 0.263 0.0217 0.81 0.257 0.0164 0.75 1.1008 0.9994 1367310 TimTec1_007266 OC(=O)C1CN(C(=O)C1)c2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K07 compound treatment 0.264 0.0227 0.84 0.257 0.0164 0.75 1.1271 0.9984 1749464 TimTec1_007267 COC(=O)c1cccc(NC(=O)c2cnccn2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K08 compound treatment 0.256 0.0147 0.55 0.254 0.0134 0.61 0.8195 0.9982 1509871 TimTec1_007268 CCC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K09 compound treatment 0.258 0.0167 0.62 0.256 0.0154 0.71 0.9369 0.9979 1244693 TimTec1_007269 CCN1CCCC1CNC(=O)c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K10 compound treatment 0.255 0.0137 0.51 0.254 0.0134 0.61 0.7932 0.9956 1569404 TimTec1_007270 C1CCN(CC1)c2ncnc3n(ncc23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K11 compound treatment 0.313 0.0717 2.67 0.3 0.0594 2.72 3.808 0.9999 1600050 TimTec1_007271 Brc1ccc(cc1)C(=O)COC(=O)CSc2cccc3cccnc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K12 compound treatment 0.266 0.0247 0.92 0.263 0.0224 1.03 1.3739 0.9984 1451391 TimTec1_007272 Oc1ccccc1C(CC(=O)NCc2ccccc2)NCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K13 compound treatment 0.266 0.0247 0.92 0.255 0.0144 0.66 1.1149 0.9869 1622555 TimTec1_007273 COC(C(=O)NCc1ccc(C)cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K14 compound treatment 0.242 6.55E-4 0.02 0.25 0.00941 0.43 0.3218 0.7459 1244048 TimTec1_007274 OC(=O)C1(CCC(C1)Nc2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K15 compound treatment 0.25 0.00866 0.32 0.255 0.0144 0.66 0.6941 0.9456 1530042 TimTec1_007275 O=C(CCC1CCCC1)N2CCN(CC2)C(=O)COc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K16 compound treatment 0.29 0.0487 1.81 0.275 0.0344 1.58 2.3937 0.9976 1301695 TimTec1_007276 O=C(NCc1ccccc1)c2ccc(CN(c3ccccc3)S(=O)(=O)c4ccccc4)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K17 compound treatment 0.276 0.0347 1.29 0.27 0.0294 1.35 1.8636 0.9998 3087135 TimTec1_007277 FC(F)(F)c1cc(nc2cc(nn12)C(=O)N3CCSCC3)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K18 compound treatment 0.295 0.0537 2.0 0.277 0.0364 1.67 2.5899 0.996 1164653 TimTec1_007278 Clc1ccc(NC(=O)CN(Cc2ccco2)C(=O)c3ccccc3)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K19 compound treatment 0.256 0.0147 0.55 0.256 0.0154 0.71 0.8843 0.9919 3087136 TimTec1_007279 CC(=O)Nc1nc(C)c(Cc2ccccc2)c(O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K20 compound treatment 0.257 0.0157 0.58 0.253 0.0124 0.57 0.8135 0.9999 3212859 TimTec1_007280 COc1cc2CCN(C3CC4(C=CC(=O)C=C4)c(c32)c1OC)C(=O)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K21 compound treatment 0.258 0.0167 0.62 0.26 0.0194 0.89 1.0664 0.9844 1585233 TimTec1_007281 COc1ccc(cc1)C2N(CC=C)C(=O)C(=C2C(=O)c3ccccc3)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K22 compound treatment 0.249 0.00766 0.28 0.25 0.00941 0.43 0.5059 0.9798 3087182 TimTec1_007282 CC(C)CCNCC1OCc2ccccc2CO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K23 mock treatment 0.258 0.0167 0.62 0.258 0.0174 0.8 1.0016 0.9922 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 K24 mock treatment 0.246 0.00466 0.17 0.227 -0.0136 -0.62 -0.3176 -0.4917 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L01 compound treatment 0.237 -0.00434 -0.16 0.233 -0.00759 -0.35 -0.3601 -0.9393 1537215 TimTec1_007283 S=c1n(CN2CCOCC2)nnn1C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L02 compound treatment 0.265 0.0237 0.88 0.262 0.0214 0.98 1.3152 0.9985 1303821 TimTec1_007284 COC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(O)c(OC)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L03 compound treatment 0.256 0.0147 0.55 0.259 0.0184 0.84 0.9814 0.9778 3087183 TimTec1_007285 COc1cccc(OC)c1C(=O)Nc2nnc(CC(C)(C)C)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L04 compound treatment 0.258 0.0167 0.62 0.261 0.0204 0.93 1.0988 0.9801 3087184 TimTec1_007286 CCN(CC)Cc1c(CC(C)C)oc(C)c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L05 compound treatment 0.261 0.0197 0.73 0.257 0.0164 0.75 1.0482 0.9999 3087185 TimTec1_007287 O=C(N1CCCCC1)c2ccc3snnc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L06 compound treatment 0.276 0.0347 1.29 0.265 0.0244 1.12 1.7017 0.9975 1320337 TimTec1_007288 Cc1ccc(NC(=O)CNc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L07 compound treatment 0.285 0.0437 1.62 0.289 0.0484 2.22 2.7154 0.9883 3087186 TimTec1_007289 Cc1cccc2cc(C(N(Cc3ccco3)Cc4ccccc4)c5nnnn5C(C)(C)C)c(=O)[nH]c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L08 compound treatment 0.285 0.0437 1.62 0.283 0.0424 1.94 2.5212 0.996 1784505 TimTec1_007290 Cc1ccc(cc1)n2nc-3c(CCc4nonc43)[n+]2[O-] 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L09 compound treatment 0.254 0.0127 0.47 0.259 0.0184 0.84 0.9288 0.9621 1715611 TimTec1_007291 CC(C)c1ccc(cc1)N2CC(CC2=O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L10 compound treatment 0.255 0.0137 0.51 0.253 0.0124 0.57 0.7608 0.9984 3212860 TimTec1_007292 FC(F)(F)C(=O)N(Cc1ccc2OCOc2c1)C(C(=O)NC3CCCCC3)c4ccccn4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L11 compound treatment 0.258 0.0167 0.62 0.255 0.0144 0.66 0.9045 0.9995 1196884 TimTec1_007293 CCCn1c(=O)c(c(O)c2ccccc12)c3nc4ccccc4c(=O)[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L12 compound treatment 0.251 0.00966 0.36 0.252 0.0114 0.52 0.6233 0.9833 1066059 TimTec1_007294 CN1C(CC(=O)CC1c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L13 compound treatment 0.27 0.0287 1.07 0.273 0.0324 1.48 1.8029 0.9868 1212761 TimTec1_007295 CC1(C)OC(=O)N(c2ccccc2)C31Oc4cc5ccccc5cc4C=C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L14 compound treatment 0.26 0.0187 0.69 0.259 0.0184 0.84 1.0866 0.9953 3087187 TimTec1_007296 CC(C)N(C(C)C)c1nnc(N)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L15 compound treatment 0.25 0.00866 0.32 0.251 0.0104 0.48 0.5646 0.9818 3212861 TimTec1_007297 CCN(CC)CCCNc1ncnc2sc3CCC(C)Cc3c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L16 compound treatment 0.261 0.0197 0.73 0.256 0.0154 0.71 1.0158 0.9998 1625654 TimTec1_007298 C(CN1C2CCC1C=CC2)N3C4CCC3C=CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L17 compound treatment 0.262 0.0207 0.77 0.266 0.0254 1.16 1.3658 0.9797 3212862 TimTec1_007299 FC(F)(F)C(=O)NCc1ccc2OCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L18 compound treatment 0.285 0.0437 1.62 0.283 0.0424 1.94 2.5212 0.996 3212863 TimTec1_007300 COC(=O)c1cc(no1)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L19 compound treatment 0.252 0.0107 0.4 0.254 0.0134 0.61 0.7143 0.9776 1270867 TimTec1_007301 CCCC(CCC)C(=O)NC1CCN(Cc2ccccc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L20 compound treatment 0.264 0.0227 0.84 0.263 0.0224 1.03 1.3213 0.9952 3212864 TimTec1_007302 OC(=O)CN1C(=O)CSc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L21 compound treatment 0.257 0.0157 0.58 0.253 0.0124 0.57 0.8135 0.9999 1632361 TimTec1_007303 CC(=O)Nc1cccc(c1)C(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L22 compound treatment 0.26 0.0187 0.69 0.261 0.0204 0.93 1.1514 0.9893 3087188 TimTec1_007304 Nc1nc2ccc(CC(=O)O)cc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L23 mock treatment 0.254 0.0127 0.47 0.256 0.0154 0.71 0.8317 0.9807 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 L24 mock treatment 0.239 -0.00234 -0.09 0.222 -0.0186 -0.85 -0.6636 -0.7755 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M01 compound treatment 0.281 0.0397 1.47 0.257 0.0164 0.75 1.5742 0.951 3211168 TimTec1_007305 Brc1ccc(N/C=C\2/Sc3ccccc3C2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M02 compound treatment 0.249 0.00766 0.28 0.252 0.0114 0.52 0.5707 0.9593 3087189 TimTec1_007306 Clc1ccc2nc(nc(c3ccccc3)c2c1)n4nc5ccccc5n4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M03 compound treatment 0.251 0.00966 0.36 0.25 0.00941 0.43 0.5585 0.9959 1413726 TimTec1_007307 CC1CCN(CC1)C(=O)C2CCN(CC3CCCCC3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M04 compound treatment 0.252 0.0107 0.4 0.254 0.0134 0.61 0.7143 0.9776 3087190 TimTec1_007308 O=C(CCC1CCCC1)N2CCN(CC3CCC=CC3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M05 compound treatment 0.317 0.0757 2.81 0.304 0.0634 2.9 4.0427 0.9999 3211169 TimTec1_007309 Cc1cc2nn(nc2cc1NC(=O)c3cccs3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M06 compound treatment 0.26 0.0187 0.69 0.254 0.0134 0.61 0.9247 0.9981 1787986 TimTec1_007310 CC1(C)CC(CC(C)(C)N1)NC(=O)c2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M07 compound treatment 0.272 0.0307 1.14 0.267 0.0264 1.21 1.6612 0.9996 1163680 TimTec1_007311 O=C1C(=C(C#N)c2nc3ccccc3[nH]2)C(=O)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M08 compound treatment 0.259 0.0177 0.66 0.258 0.0174 0.8 1.0279 0.9954 1392143 TimTec1_007312 CC(C)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M09 compound treatment 0.257 0.0157 0.58 0.256 0.0154 0.71 0.9106 0.9955 1649591 TimTec1_007313 COc1ccccc1N2CCN(Cc3ccc(SC)cc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M10 compound treatment 0.257 0.0157 0.58 0.254 0.0134 0.61 0.8458 0.9997 1308504 TimTec1_007314 CN(C)C(=O)COc1ccc2c(C)cc(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M11 compound treatment 0.255 0.0137 0.51 0.255 0.0144 0.66 0.8256 0.9917 1709084 TimTec1_007315 Cc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M12 compound treatment 0.241 -3.45E-4 -0.01 0.241 4.07E-4 0.02 0.0041 0.182 3087191 TimTec1_007316 CN(C)CCCNc1ncnc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M13 compound treatment 0.26 0.0187 0.69 0.249 0.00841 0.38 0.7628 0.9614 3211170 TimTec1_007317 CN(Cc1c(C)nn(C)c1C)C(=O)c2cnn3C(CC(Nc23)c4ccccc4)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M14 compound treatment 0.256 0.0147 0.55 0.253 0.0124 0.57 0.7872 0.9998 1229927 TimTec1_007318 O=C(NC1CS(=O)(=O)CC1NCc2ccco2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M15 compound treatment 0.249 0.00766 0.28 0.25 0.00941 0.43 0.5059 0.9798 1657371 TimTec1_007319 COc1ccc(CCN(C)CCC(=O)Nc2c(C)cc(C)cc2C)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M16 compound treatment 0.313 0.0717 2.67 0.3 0.0594 2.72 3.808 0.9999 1600235 TimTec1_007320 COc1ccc(cc1)c2cc(c3ccco3)c(C#N)c(N)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M17 compound treatment 0.27 0.0287 1.07 0.262 0.0214 0.98 1.4467 0.9991 3087192 TimTec1_007321 Cc1sc2ncnc(SCC(=O)c3ccccc3)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M18 compound treatment 0.265 0.0237 0.88 0.258 0.0174 0.8 1.1857 0.9988 3211171 TimTec1_007322 Oc1ccccc1/C=N/c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M19 compound treatment 0.264 0.0227 0.84 0.264 0.0234 1.07 1.3537 0.9929 1238816 TimTec1_007323 NC1=C(C(=O)CN1C2CCCCC2)c3nc4ccccc4s3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M20 compound treatment 0.253 0.0117 0.43 0.249 0.00841 0.38 0.5787 0.9982 1918338 TimTec1_007324 CC1(C)CC(=O)C=C(C1)NCCCN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M21 compound treatment 0.278 0.0367 1.36 0.269 0.0284 1.3 1.8838 0.9997 1143746 TimTec1_007325 CC(=O)Nc1cc(nn1Cc2ccc(Cl)cc2)c3ccc(Br)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M22 compound treatment 0.259 0.0177 0.66 0.254 0.0134 0.61 0.8984 0.9994 3211172 TimTec1_007326 CC(=C)CC(Nc1ccc(C)cc1)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M23 mock treatment 0.254 0.0127 0.47 0.284 0.0434 1.99 1.7382 0.851 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 M24 mock treatment 0.217 -0.0243 -0.91 0.224 -0.0166 -0.76 -1.1775 -0.9962 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N01 compound treatment 0.26 0.0187 0.69 0.251 0.0104 0.48 0.8276 0.9832 1282781 TimTec1_007327 OC(COCc1ccc2OCOc2c1)CN3CCN(CC3)c4ccc(F)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N02 compound treatment 0.255 0.0137 0.51 0.254 0.0134 0.61 0.7932 0.9956 1422214 TimTec1_007328 OCCN1CCN(CC1)C(=O)CSc2nc3ccccc3c(=O)n2c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N03 compound treatment 0.252 0.0107 0.4 0.261 0.0204 0.93 0.941 0.9271 3211173 TimTec1_007329 CC(C)OC(=O)CCc1nc2ccccc2nc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N04 compound treatment 0.251 0.00966 0.36 0.249 0.00841 0.38 0.5261 0.9994 1325424 TimTec1_007330 NS(=O)(=O)c1ccc(cc1)N2CCCC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N05 compound treatment 0.262 0.0207 0.77 0.25 0.00941 0.43 0.8478 0.9626 1492718 TimTec1_007331 CCn1c(N)nc2n(C)c(=O)[nH]c(=O)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N06 compound treatment 0.256 0.0147 0.55 0.246 0.00541 0.25 0.5605 0.9362 1327606 TimTec1_007332 Cc1oc(c(CO)c1C(=O)O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N07 compound treatment 0.28 0.0387 1.44 0.272 0.0314 1.44 2.0335 1.0 3211174 TimTec1_007333 CC(C)C(=O)Nc1ccc(cc1)c2nc3cc(NC(=O)C(C)C)ccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N08 compound treatment 0.252 0.0107 0.4 0.248 0.00741 0.34 0.5201 0.997 1130123 TimTec1_007334 Cc1ccc2nc(O)c(CCC(=O)O)c(C)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N09 compound treatment 0.255 0.0137 0.51 0.252 0.0114 0.52 0.7285 0.9999 1553061 TimTec1_007335 C(N1CCOCC1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N10 compound treatment 0.261 0.0197 0.73 0.257 0.0164 0.75 1.0482 0.9999 1761372 TimTec1_007336 Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c4ccccc4C)c(=O)[nH]c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N11 compound treatment 0.253 0.0117 0.43 0.251 0.0104 0.48 0.6435 0.9989 1409640 TimTec1_007337 OC(=O)C1(CCC(=O)C1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N12 compound treatment 0.25 0.00866 0.32 0.246 0.00541 0.25 0.4027 0.9916 3211175 TimTec1_007338 CC1(C)CC(CC(C)(C)N1)NCc2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N13 compound treatment 0.251 0.00966 0.36 0.247 0.00641 0.29 0.4614 0.995 3211176 TimTec1_007339 COc1cccc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N14 compound treatment 0.248 0.00666 0.25 0.247 0.00641 0.29 0.3825 0.9964 3087193 TimTec1_007340 COC(=O)CN1C(=O)COc2ccc(C)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N15 compound treatment 0.396 0.155 5.75 0.36 0.119 5.47 7.9335 0.9997 1267449 TimTec1_007341 CC(C)Cc1ccc2c(N)c(sc2n1)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N16 compound treatment 0.266 0.0247 0.92 0.258 0.0174 0.8 1.212 0.9976 3211177 TimTec1_007342 Cc1cc(Cl)ccc1OCCCC(=O)Nc2ccccc2C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N17 compound treatment 0.33 0.0887 3.3 0.323 0.0824 3.77 4.9998 0.9977 1220509 TimTec1_007343 N(c1ccccc1)c2nc(Nc3ccccc3)nc(Oc4ccccc4)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N18 compound treatment 0.254 0.0127 0.47 0.249 0.00841 0.38 0.605 0.995 1849790 TimTec1_007344 O=C(COC(=O)c1ccco1)NC2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N19 compound treatment 0.258 0.0167 0.62 0.257 0.0164 0.75 0.9693 0.9954 3087194 TimTec1_007345 O=S1(=O)C=C(N2CCOCC2)c3ccccc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N20 compound treatment 0.252 0.0107 0.4 0.248 0.00741 0.34 0.5201 0.997 1673885 TimTec1_007346 COCC(C)NCc1cccc(Br)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N21 compound treatment 0.245 0.00366 0.14 0.246 0.00541 0.25 0.2712 0.9602 3211178 TimTec1_007347 O=C(CCCc1c[nH]c2ccccc12)N3CCCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N22 compound treatment 0.25 0.00866 0.32 0.249 0.00841 0.38 0.4998 0.996 1139076 TimTec1_007348 CC1CC(c2ccccc2)n3ncnc3N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N23 mock treatment 0.251 0.00966 0.36 0.252 0.0114 0.52 0.6233 0.9833 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 N24 mock treatment 0.225 -0.0163 -0.61 0.241 4.07E-4 0.02 -0.4167 -0.6851 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O01 compound treatment 0.241 -3.45E-4 -0.01 0.235 -0.00559 -0.26 -0.1901 -0.7416 1243484 TimTec1_007349 CC(C)C(=O)NC(c1ccc2cccnc2c1O)c3ccc(Cl)cc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O02 compound treatment 0.265 0.0237 0.88 0.263 0.0224 1.03 1.3476 0.9971 1718539 TimTec1_007350 O=C(CC1CCCCC1)Nc2ccc3OCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O03 compound treatment 0.242 6.55E-4 0.02 0.245 0.00441 0.2 0.1599 0.7868 3211179 TimTec1_007351 COc1ccc(cc1)c2cc(n3ncc(C(=O)NC(C)(C)C)c3n2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O04 compound treatment 0.263 0.0217 0.81 0.257 0.0164 0.75 1.1008 0.9994 1737590 TimTec1_007352 COc1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O05 compound treatment 0.253 0.0117 0.43 0.249 0.00841 0.38 0.5787 0.9982 3087195 TimTec1_007353 CC(NC(=O)C1C2CC(C)(NC1=O)Oc3ccccc23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O06 compound treatment 0.288 0.0467 1.74 0.279 0.0384 1.76 2.4706 1.0 1548745 TimTec1_007354 CC(OC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O07 compound treatment 0.246 0.00466 0.17 0.242 0.00141 0.06 0.168 0.9093 3087196 TimTec1_007355 CC(Sc1nc(C)cc(C)n1)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O08 compound treatment 0.252 0.0107 0.4 0.255 0.0144 0.66 0.7467 0.9703 3211180 TimTec1_007356 Cc1cc(=O)oc2[nH]nc(c3ccccc3)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O09 compound treatment 0.248 0.00666 0.25 0.249 0.00841 0.38 0.4472 0.9772 1303989 TimTec1_007357 C(OC(CN1CCCC1)CN2CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O10 compound treatment 0.246 0.00466 0.17 0.249 0.00841 0.38 0.3946 0.9349 1593421 TimTec1_007358 NC(=O)c1ccc2[nH]c3CCCCc3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O11 compound treatment 0.252 0.0107 0.4 0.248 0.00741 0.34 0.5201 0.997 3211181 TimTec1_007359 Nc1nc(NC(=O)c2ccco2)nn1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O12 compound treatment 0.252 0.0107 0.4 0.253 0.0124 0.57 0.6819 0.9845 1296021 TimTec1_007360 COc1ccc(cc1)C(=O)N2CCN(CC2)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O13 compound treatment 0.255 0.0137 0.51 0.245 0.00441 0.2 0.5018 0.9182 1153011 TimTec1_007361 CC1CCN(CC1)C(=O)CCCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O14 compound treatment 0.241 -3.45E-4 -0.01 0.235 -0.00559 -0.26 -0.1901 -0.7416 1079167 TimTec1_007362 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccc4Cl)C(=O)CC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O15 compound treatment 0.272 0.0307 1.14 0.281 0.0404 1.85 2.1145 0.973 1388332 TimTec1_007363 CNC(=O)c1c(O)c2ccccc2[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O16 compound treatment 0.268 0.0267 0.99 0.261 0.0204 0.93 1.3618 0.9996 3211244 TimTec1_007364 O/N=C/c1c(OCc2ccccc2)ccc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O17 compound treatment 0.248 0.00666 0.25 0.249 0.00841 0.38 0.4472 0.9772 1449392 TimTec1_007365 CCN(CC)c1ccc(CC(=O)NC(C)Cc2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O18 compound treatment 0.245 0.00366 0.14 0.243 0.00241 0.11 0.1741 0.9946 1229289 TimTec1_007366 CCc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccccc4C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O19 compound treatment 0.246 0.00466 0.17 0.248 0.00741 0.34 0.3623 0.9513 1499628 TimTec1_007367 OC(CNc1nc2ccccc2s1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O20 compound treatment 0.263 0.0217 0.81 0.27 0.0294 1.35 1.5217 0.9698 1146614 TimTec1_007368 O=C(CC1CCCCC1)Nc2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O21 compound treatment 0.275 0.0337 1.25 0.284 0.0434 1.99 2.2905 0.9752 1429365 TimTec1_007369 CCOc1ccc(Nc2nc3c(C)cccc3cc2C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O22 compound treatment 0.315 0.0737 2.74 0.336 0.0954 4.37 5.0261 0.9747 1134013 TimTec1_007370 CC1(C)CC(=O)C2=C(C1)NC3=C(C2c4cccc(F)c4)C(=O)CC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O23 mock treatment 0.24 -0.00134 -0.05 0.252 0.0114 0.52 0.334 0.6365 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 O24 mock treatment 0.213 -0.0283 -1.05 0.185 -0.0556 -2.55 -2.5454 -0.9239 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P01 compound treatment 0.179 -0.0623 -2.32 0.183 -0.0576 -2.64 -3.5044 -0.9979 1386295 TimTec1_007371 CC(C)(C)C(=O)N1CCN(Cc2ccccc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P02 compound treatment 0.202 -0.0393 -1.46 0.208 -0.0326 -1.49 -2.09 -1.0 3087246 TimTec1_007372 O=C(CSc1ncnc2sc3CCCCc3c12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P03 compound treatment 0.271 0.0297 1.1 0.268 0.0274 1.25 1.6673 0.9979 3087247 TimTec1_007373 Oc1cc(nn1c2nc3ccccc3s2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P04 compound treatment 0.26 0.0187 0.69 0.249 0.00841 0.38 0.7628 0.9614 1158378 TimTec1_007374 O=C(C(c1ccccc1)c2ccccc2)N3CCc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P05 compound treatment 0.241 -3.45E-4 -0.01 0.23 -0.0106 -0.49 -0.352 -0.7256 1653550 TimTec1_007375 O=C(Cc1cccs1)Nc2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P06 compound treatment 0.24 -0.00134 -0.05 0.228 -0.0126 -0.58 -0.4431 -0.7656 3211245 TimTec1_007376 CCOC(=O)COc1nc(cc(n1)C(F)(F)F)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P07 compound treatment 0.23 -0.0113 -0.42 0.229 -0.0116 -0.53 -0.6737 -0.9935 1544065 TimTec1_007377 COc1cc2CN(C)CC3(CCC(O)CC3)c2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P08 compound treatment 0.232 -0.00934 -0.35 0.221 -0.0196 -0.9 -0.8801 -0.9148 3211246 TimTec1_007378 Cc1nc(N)nc(C)c1Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P09 compound treatment 0.221 -0.0203 -0.76 0.224 -0.0166 -0.76 -1.0723 -1.0 3087248 TimTec1_007379 COC(=O)Cn1nc(c2CCCCc21)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P10 compound treatment 0.217 -0.0243 -0.91 0.223 -0.0176 -0.81 -1.2099 -0.9983 3211247 TimTec1_007380 COC(=O)c1ccc(CN2CCN(Cc3ccc(o3)C(=O)OC)CC2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P11 compound treatment 0.241 -3.45E-4 -0.01 0.264 0.0234 1.07 0.7488 0.6986 1443632 TimTec1_007381 Fc1ccc(OCC(=O)Nc2ccc(cc2)n3cnnn3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P12 compound treatment 0.23 -0.0113 -0.42 0.225 -0.0156 -0.71 -0.8032 -0.9685 1599989 TimTec1_007382 COc1cc(cc(OC)c1OC)c2cc(C#N)on2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P13 compound treatment 0.242 6.55E-4 0.02 0.239 -0.00159 -0.07 -0.0343 -0.4465 1535300 TimTec1_007383 CC1(O)N(CCc2cccc3ccccc23)C(=O)c4ccccc41 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P14 compound treatment 0.216 -0.0253 -0.94 0.221 -0.0196 -0.9 -1.3009 -0.9997 1782858 TimTec1_007384 CCC(C)(Nc1n[nH]c(=O)[nH]c1=O)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P15 compound treatment 0.223 -0.0183 -0.68 0.219 -0.0216 -0.99 -1.1816 -0.9836 1583688 TimTec1_007385 OC(=O)C1CCCc2c1[nH]c3ccc(Cl)cc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P16 compound treatment 0.222 -0.0193 -0.72 0.228 -0.0126 -0.58 -0.9165 -0.994 1183239 TimTec1_007386 CC(C)c1nc2ccccc2n1CC(C)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P17 compound treatment 0.234 -0.00734 -0.27 0.228 -0.0126 -0.58 -0.6009 -0.9418 3211371 TimTec1_007387 O=C(CC1CC2CCC1C2)N(C(C(=O)NC3CCCCC3)c4cccs4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P18 compound treatment 0.216 -0.0253 -0.94 0.22 -0.0206 -0.94 -1.3333 -1.0 1248349 TimTec1_007388 OC(=O)C1CCCN1C(=O)c2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P19 compound treatment 0.209 -0.0323 -1.2 0.22 -0.0206 -0.94 -1.5174 -0.9927 1705108 TimTec1_007389 CC(C)Oc1ccc(cc1)C(CC(=O)N)CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P20 compound treatment 0.221 -0.0203 -0.76 0.216 -0.0246 -1.13 -1.3313 -0.9813 1182227 TimTec1_007390 Clc1cccc(NCCC(=O)c2ccco2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P21 compound treatment 0.223 -0.0183 -0.68 0.22 -0.0206 -0.94 -1.1492 -0.9874 3211372 TimTec1_007391 CC1=CCC(C(C1)C(=O)NC2CCCCC2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P22 compound treatment 0.229 -0.0123 -0.46 0.222 -0.0186 -0.85 -0.9266 -0.958 1251182 TimTec1_007392 COCC(C)NCc1cccc(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P23 mock treatment 0.18 -0.0613 -2.28 0.194 -0.0466 -2.13 -3.1219 -0.9994 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2083 P24 mock treatment 0.199 -0.0423 -1.58 0.196 -0.0446 -2.04 -2.5575 -0.9918 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A01 compound treatment 0.186 -0.0482 -1.79 0.189 -0.0557 -2.55 -3.0717 -0.9851 3211373 TimTec1_007393 CC(C)C(=O)N1CCN(CC1)c2ccccc2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A02 compound treatment 0.212 -0.0222 -0.83 0.21 -0.0347 -1.59 -1.708 -0.9534 1229675 TimTec1_007394 COc1ccccc1CC(=O)Nc2nncs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A03 compound treatment 0.222 -0.0122 -0.45 0.24 -0.00472 -0.22 -0.4737 -0.9426 3087249 TimTec1_007395 COc1cc2[nH]c(NC(=O)c3ccc(Cl)cc3)nc(=O)c2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A04 compound treatment 0.201 -0.0332 -1.23 0.214 -0.0307 -1.41 -1.8678 -0.9979 1648941 TimTec1_007396 CC(=O)Nc1ccccc1C(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A05 compound treatment 0.234 -1.94E-4 -0.01 0.235 -0.00972 -0.45 -0.3199 -0.7184 3087250 TimTec1_007397 CN1CCC(CC1)OC(=O)c2cc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A06 compound treatment 0.216 -0.0182 -0.68 0.212 -0.0327 -1.5 -1.538 -0.9355 3211374 TimTec1_007398 CCOc1ccc(cc1)C(=O)OCC(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A07 compound treatment 0.214 -0.0202 -0.75 0.216 -0.0287 -1.32 -1.4611 -0.9647 1229195 TimTec1_007399 OC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A08 compound treatment 0.203 -0.0312 -1.16 0.201 -0.0437 -2.0 -2.236 -0.9663 3087251 TimTec1_007400 CCc1ccc(OCC(=O)N2CCc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A09 compound treatment 0.205 -0.0292 -1.09 0.213 -0.0317 -1.45 -1.7949 -0.9897 3211375 TimTec1_007401 CCNc1oc(COc2ccc(OC)cc2)nc1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A10 compound treatment 0.212 -0.0222 -0.83 0.219 -0.0257 -1.18 -1.4166 -0.9849 3087252 TimTec1_007402 COCc1[nH]nc2OC(=C(C#N)C3(C(=O)Nc4ccccc43)c12)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A11 compound treatment 0.222 -0.0122 -0.45 0.231 -0.0137 -0.63 -0.765 -0.9872 3211376 TimTec1_007403 C=CCOc1ccccc1CNc2nc[nH]n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A12 compound treatment 0.233 -0.00119 -0.04 0.236 -0.00872 -0.4 -0.3138 -0.7809 3211377 TimTec1_007404 CN(C)c1oc(nc1C#N)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A13 compound treatment 0.225 -0.00919 -0.34 0.229 -0.0157 -0.72 -0.7509 -0.9421 3087253 TimTec1_007405 COc1cc(OC)cc(OCC(O)Cn2ccnc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A14 compound treatment 0.218 -0.0162 -0.6 0.192 -0.0527 -2.41 -2.1329 -0.8573 3211378 TimTec1_007406 CC(Oc1ccccc1F)C(=O)NCc2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A15 compound treatment 0.211 -0.0232 -0.86 0.209 -0.0357 -1.64 -1.7666 -0.9553 3551464 TimTec1_007407 OC12CCCCC2C(NCC1)c3ccc(Cl)cc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A16 compound treatment 0.215 -0.0192 -0.71 0.235 -0.00972 -0.45 -0.8196 -0.9742 1438511 TimTec1_007408 COc1cc(cc(OC)c1OC)C(=O)N2CCN(CC2)C(=O)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A17 compound treatment 0.222 -0.0122 -0.45 0.213 -0.0317 -1.45 -1.3478 -0.8857 3211379 TimTec1_007409 CCn1nnc(NC(=O)c2sc3ccccc3c2Cl)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A18 compound treatment 0.232 -0.00219 -0.08 0.237 -0.00772 -0.35 -0.3078 -0.848 3211380 TimTec1_007410 COc1cccc(NC(=O)Cn2c(nc3ccccc23)c4cncs4)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A19 compound treatment 0.219 -0.0152 -0.57 0.218 -0.0267 -1.22 -1.2648 -0.9384 3087254 TimTec1_007411 COC(=O)c1cn(CC(=O)NCc2ccc3OCOc3c2)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A20 compound treatment 0.209 -0.0252 -0.94 0.205 -0.0397 -1.82 -1.9487 -0.9524 3211381 TimTec1_007412 Cc1ccccc1C(=O)Nc2c(C)nc(O)nc2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A21 compound treatment 0.232 -0.00219 -0.08 0.228 -0.0167 -0.77 -0.5992 -0.778 3087255 TimTec1_007413 Cc1sc2ncnc(N3CCN(CCO)CC3)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A22 compound treatment 0.221 -0.0132 -0.49 0.217 -0.0277 -1.27 -1.2446 -0.9145 1416150 TimTec1_007414 COc1cc(cc(OC)c1OC)C(=O)Oc2ccc(Cl)c3cccnc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A23 mock treatment 0.208 -0.0262 -0.97 0.205 -0.0397 -1.82 -1.975 -0.9572 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 A24 mock treatment 0.169 -0.0652 -2.42 0.165 -0.0797 -3.65 -4.2958 -0.9803 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B01 compound treatment 0.246 0.0118 0.44 0.261 0.0163 0.75 0.8375 0.9682 1286008 TimTec1_007415 Cc1nc(C)c(s1)c2csc(Nc3cccc(C)c3)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B02 compound treatment 0.293 0.0588 2.19 0.286 0.0413 1.89 2.883 0.9974 3211382 TimTec1_007416 Clc1ccc(cc1)C2SC(=O)NC3=C2C(=O)c4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B03 compound treatment 0.263 0.0288 1.07 0.256 0.0113 0.52 1.1227 0.944 1624823 TimTec1_007417 CN1CCN(Cc2ccc(O)c3ncccc23)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B04 compound treatment 0.255 0.0208 0.77 0.254 0.00928 0.42 0.8475 0.9601 1292705 TimTec1_007418 COc1ccc(CC(=O)Nc2cc(C)on2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B05 compound treatment 0.265 0.0308 1.15 0.263 0.0183 0.84 1.4019 0.9881 3087256 TimTec1_007419 Cc1occc1C(=O)Nc2ccc(OCc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B06 compound treatment 0.256 0.0218 0.81 0.254 0.00928 0.42 0.8738 0.9544 1651373 TimTec1_007420 COc1ccc(cc1)N2CC(CC2=O)C(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B07 compound treatment 0.25 0.0158 0.59 0.252 0.00728 0.33 0.6513 0.9638 3211383 TimTec1_007421 CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B08 compound treatment 0.283 0.0488 1.82 0.281 0.0363 1.66 2.4581 0.999 3087257 TimTec1_007422 CCC(=O)Nc1nc2ccc(C)cc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B09 compound treatment 0.259 0.0248 0.92 0.257 0.0123 0.56 1.0499 0.9718 3211384 TimTec1_007423 CCOc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B10 compound treatment 0.258 0.0238 0.89 0.258 0.0133 0.61 1.056 0.9832 3087258 TimTec1_007424 CN(C1CCCCC1)c2c[nH]c(=O)[nH]c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B11 compound treatment 0.251 0.0168 0.63 0.252 0.00728 0.33 0.6776 0.9566 3211385 TimTec1_007425 O=C(Cc1ccccc1)NCCN2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B12 compound treatment 0.259 0.0248 0.92 0.26 0.0153 0.7 1.147 0.9907 1417865 TimTec1_007426 CC(C)C(=O)Nc1scc(c1C(=O)O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B13 compound treatment 0.26 0.0258 0.96 0.256 0.0113 0.52 1.0438 0.9577 1861875 TimTec1_007427 O=C(Nc1ccccc1N2CCCC2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B14 compound treatment 0.251 0.0168 0.63 0.25 0.00528 0.24 0.6128 0.9145 3087259 TimTec1_007428 C=CCn1c(nc2ccccc12)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B15 compound treatment 0.249 0.0148 0.55 0.242 -0.00272 -0.12 0.3012 0.5334 3211460 TimTec1_007429 CC(C)c1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B16 compound treatment 0.293 0.0588 2.19 0.292 0.0473 2.16 3.0773 1.0 3211461 TimTec1_007430 C(Oc1cccc2ccccc12)c3nc(no3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B17 compound treatment 0.258 0.0238 0.89 0.26 0.0153 0.7 1.1207 0.9932 3087260 TimTec1_007431 CCN(C(=O)Cn1cc(C(=O)C2CC2)c3ccccc13)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B18 compound treatment 0.264 0.0298 1.11 0.263 0.0183 0.84 1.3756 0.9904 1228419 TimTec1_007432 COc1ccccc1Nc2nc(c3ccccc3)c4cc(Cl)ccc4n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B19 compound treatment 0.255 0.0208 0.77 0.254 0.00928 0.42 0.8475 0.9601 1437567 TimTec1_007433 CC(C)c1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B20 compound treatment 0.254 0.0198 0.74 0.257 0.0123 0.56 0.9184 0.9911 3211462 TimTec1_007434 CC1=C(C)CC(C(C1)C(=O)O)C(=O)Nc2cccc(C)c2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B21 compound treatment 0.261 0.0268 1.0 0.262 0.0173 0.79 1.2644 0.9934 3211463 TimTec1_007435 Cc1nc(NC2=NCCC(=O)N2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B22 compound treatment 0.253 0.0188 0.7 0.253 0.00828 0.38 0.7626 0.9585 1158692 TimTec1_007436 CC(C)NC(=O)c1ccc2ccccc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B23 mock treatment 0.25 0.0158 0.59 0.248 0.00328 0.15 0.5218 0.86 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 B24 mock treatment 0.202 -0.0322 -1.2 0.232 -0.0127 -0.58 -1.2587 -0.9452 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C01 compound treatment 0.235 8.06E-4 0.03 0.226 -0.0187 -0.86 -0.585 -0.6819 3211464 TimTec1_007437 COc1ccc(cc1)c2nc(O)c3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C02 compound treatment 0.24 0.00581 0.22 0.24 -0.00472 -0.22 -2.0E-4 -8.0E-4 1154391 TimTec1_007438 CCOc1ccccc1C(=O)Nc2nc3ccc(cc3s2)S(=O)(=O)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C03 compound treatment 0.24 0.00581 0.22 0.242 -0.00272 -0.12 0.0645 0.2587 3211465 TimTec1_007439 Cc1ccc2nc(Nc3nccc(C)n3)nc(C)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C04 compound treatment 0.241 0.00681 0.25 0.241 -0.00372 -0.17 0.0584 0.1915 3087261 TimTec1_007440 Cc1nc2ccccc2c(=O)n1c3nc4ccccc4n3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C05 compound treatment 0.24 0.00581 0.22 0.24 -0.00472 -0.22 -2.0E-4 -8.0E-4 3211466 TimTec1_007441 CN1CCC(CC1)OC(=O)c2ccc3OCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C06 compound treatment 0.249 0.0148 0.55 0.244 -7.24E-4 -0.03 0.366 0.6633 3211467 TimTec1_007442 COCc1nnc(NC(=O)Cc2ccccc2)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C07 compound treatment 0.246 0.0118 0.44 0.246 0.00128 0.06 0.3518 0.7942 3211468 TimTec1_007443 OC(=O)C1CCCCC1C(=O)Nc2ccc(cc2)C(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C08 compound treatment 0.252 0.0178 0.66 0.254 0.00928 0.42 0.7686 0.9769 3087262 TimTec1_007444 Cc1cccc(C)c1OCC(=O)N2CCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C09 compound treatment 0.243 0.00881 0.33 0.244 -7.24E-4 -0.03 0.2082 0.6323 1195541 TimTec1_007445 CCN(CC)CCCN1C(C(=C(O)C1=O)C(=O)c2cc(C)ccc2C)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C10 compound treatment 0.249 0.0148 0.55 0.248 0.00328 0.15 0.4955 0.8681 1658976 TimTec1_007446 OC(=O)C1CCCCC1C(=O)Nc2cccc(F)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C11 compound treatment 0.243 0.00881 0.33 0.244 -7.24E-4 -0.03 0.2082 0.6323 3211469 TimTec1_007447 COC(=O)c1cn(CC(=O)N2CCCCC2C)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C12 compound treatment 0.258 0.0238 0.89 0.255 0.0103 0.47 0.9588 0.9562 1699768 TimTec1_007448 Cc1ccc(cc1)S(=O)(=O)c2nc(sc2Cl)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C13 compound treatment 0.249 0.0148 0.55 0.264 0.0193 0.88 1.0135 0.9742 3211470 TimTec1_007449 CCc1cccc2c(C#N)cn(CC(=O)NC3CCCC3)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C14 compound treatment 0.26 0.0258 0.96 0.26 0.0153 0.7 1.1733 0.9879 3087263 TimTec1_007450 Cc1ccc(C)c(c1)C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)C2c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C15 compound treatment 0.239 0.00481 0.18 0.24 -0.00472 -0.22 -0.0265 -0.0946 3087311 TimTec1_007451 COc1ccccc1N2CCN(CC2)C(=O)CC(C)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C16 compound treatment 0.246 0.0118 0.44 0.249 0.00428 0.2 0.449 0.9338 1347933 TimTec1_007452 Clc1cccc(CN2CCN(Cc3ccco3)CC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C17 compound treatment 0.255 0.0208 0.77 0.254 0.00928 0.42 0.8475 0.9601 3087312 TimTec1_007453 CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCn2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C18 compound treatment 0.259 0.0248 0.92 0.257 0.0123 0.56 1.0499 0.9718 3087313 TimTec1_007454 Cc1ccccc1Cn2c(nc3ccccc23)c4cncs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C19 compound treatment 0.242 0.00781 0.29 0.243 -0.00172 -0.08 0.1495 0.4968 3087314 TimTec1_007455 Nc1[nH]c(SCC(=O)N2CCCC2)nc(=O)c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C20 compound treatment 0.246 0.0118 0.44 0.245 2.76E-4 0.01 0.3195 0.7271 3087315 TimTec1_007456 FC(F)(F)c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C21 compound treatment 0.24 0.00581 0.22 0.242 -0.00272 -0.12 0.0645 0.2587 3087316 TimTec1_007457 CCc1cc2c(NCC3CCCO3)nc(C)nc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C22 compound treatment 0.241 0.00681 0.25 0.238 -0.00672 -0.31 -0.0387 -0.0971 3087317 TimTec1_007458 Cc1ccc(C)c(OCCCN2CCNCC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C23 mock treatment 0.24 0.00581 0.22 0.24 -0.00472 -0.22 -2.0E-4 -8.0E-4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 C24 mock treatment 0.204 -0.0302 -1.12 0.228 -0.0167 -0.77 -1.3356 -0.9826 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D01 compound treatment 0.231 -0.00319 -0.12 0.243 -0.00172 -0.08 -0.1398 -0.9803 3211471 TimTec1_007459 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(cc2)C(=O)OC)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D02 compound treatment 0.252 0.0178 0.66 0.253 0.00828 0.38 0.7363 0.9649 3087318 TimTec1_007460 Cc1ccnc(Nc2nc3ccccc3s2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D03 compound treatment 0.258 0.0238 0.89 0.257 0.0123 0.56 1.0236 0.9759 3211472 TimTec1_007461 Cc1cccn2cc(CNc3nc4ccccc4s3)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D04 compound treatment 0.253 0.0188 0.7 0.253 0.00828 0.38 0.7626 0.9585 3211473 TimTec1_007462 OCc1nc2ccccc2n1C/C=C/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D05 compound treatment 0.306 0.0718 2.67 0.313 0.0683 3.13 4.0991 0.9969 3087319 TimTec1_007463 COC(=O)c1cn(C(=O)COc2ccccc2Cl)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D06 compound treatment 0.256 0.0218 0.81 0.254 0.00928 0.42 0.8738 0.9544 3211474 TimTec1_007464 COC(=O)CNc1ccc2OCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D07 compound treatment 0.255 0.0208 0.77 0.256 0.0113 0.52 0.9123 0.9806 3087320 TimTec1_007465 Cc1cc(C)c(C)c(OCC(=O)NCC2CCCO2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D08 compound treatment 0.253 0.0188 0.7 0.252 0.00728 0.33 0.7302 0.9424 1236869 TimTec1_007466 CC(C)N1CC(CC1=O)C(=O)Nc2ccc(Cl)c(Cl)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D09 compound treatment 0.244 0.00981 0.36 0.247 0.00228 0.1 0.3316 0.8741 3087321 TimTec1_007467 C1Oc2ccc(cc2O1)c3nc(no3)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D10 compound treatment 0.246 0.0118 0.44 0.248 0.00328 0.15 0.4166 0.8977 1259602 TimTec1_007468 CCCn1c(nc2ccccc12)C(=O)c3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D11 compound treatment 0.254 0.0198 0.74 0.256 0.0113 0.52 0.886 0.9849 3211475 TimTec1_007469 Cc1ccccc1OCC(=O)Nc2ncccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D12 compound treatment 0.288 0.0538 2.0 0.281 0.0363 1.66 2.5896 0.9957 1684343 TimTec1_007470 O=c1n(cnc2scc(c3cccs3)c12)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D13 compound treatment 0.251 0.0168 0.63 0.254 0.00928 0.42 0.7423 0.9823 1861864 TimTec1_007471 CCC(=O)Nc1ccccc1N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D14 compound treatment 0.252 0.0178 0.66 0.253 0.00828 0.38 0.7363 0.9649 3087322 TimTec1_007472 CC(C)C(=O)NCCc1nc2ccccc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D15 compound treatment 0.252 0.0178 0.66 0.256 0.0113 0.52 0.8334 0.9924 3211476 TimTec1_007473 COc1cc(ccc1OCC(=O)N)C2NC(=O)NC(=C2C(=O)NCc3ccccc3)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D16 compound treatment 0.256 0.0218 0.81 0.257 0.0123 0.56 0.971 0.984 3087323 TimTec1_007474 Cc1cc(=O)[nH]c(n1)N2CCN(Cc3ccccc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D17 compound treatment 0.263 0.0288 1.07 0.265 0.0203 0.93 1.4141 0.9975 3211477 TimTec1_007475 COc1ccc(OCC(=O)Nc2ccccc2C(=O)N3CCOCC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D18 compound treatment 0.257 0.0228 0.85 0.256 0.0113 0.52 0.9649 0.9717 1603028 TimTec1_007476 Brc1ccc2nc(nc(c3ccccc3)c2c1)N4CCN(CC4)C(=O)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D19 compound treatment 0.274 0.0398 1.48 0.27 0.0253 1.16 1.8653 0.9926 1256546 TimTec1_007477 CCOC(=O)c1sc(NC=O)c(C(=O)OCC)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D20 compound treatment 0.261 0.0268 1.0 0.255 0.0103 0.47 1.0377 0.9412 1296988 TimTec1_007478 Clc1ccc(cc1Cl)C(=O)COC(=O)CCn2nnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D21 compound treatment 0.255 0.0208 0.77 0.258 0.0133 0.61 0.9771 0.9929 3087324 TimTec1_007479 COCc1cc(O)nc(Nc2nc3ccccc3s2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D22 compound treatment 0.232 -0.00219 -0.08 0.234 -0.0107 -0.49 -0.4049 -0.8134 3211478 TimTec1_007480 CC(C)C(=O)Nc1cnc2ccccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D23 mock treatment 0.251 0.0168 0.63 0.247 0.00228 0.1 0.5157 0.8138 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 D24 mock treatment 0.215 -0.0192 -0.71 0.241 -0.00372 -0.17 -0.6254 -0.852 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E01 compound treatment 0.241 0.00681 0.25 0.241 -0.00372 -0.17 0.0584 0.1915 3087325 TimTec1_007481 Cc1cc(C)nc(NC(=N)N2N=CCC2c3ccccc3)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E02 compound treatment 0.253 0.0188 0.7 0.254 0.00928 0.42 0.7949 0.9714 3211479 TimTec1_007482 CCC(CC)c1nnc(NC(=O)c2c(OC)cccc2OC)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E03 compound treatment 0.27 0.0358 1.33 0.271 0.0263 1.2 1.7925 0.9987 3211480 TimTec1_007483 C(CN1CNC(=NC1)Nc2nc3ccccc3s2)N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E04 compound treatment 0.255 0.0208 0.77 0.254 0.00928 0.42 0.8475 0.9601 1489932 TimTec1_007484 CC1(C)Cc2c(C#N)c(NC(=O)c3ccccc3)sc2C(C)(C)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E05 compound treatment 0.26 0.0258 0.96 0.262 0.0173 0.79 1.2381 0.9954 1191967 TimTec1_007485 CCCc1c(C)nc2c(OC)cccc2c1SCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E06 compound treatment 0.332 0.0978 3.64 0.335 0.0903 4.13 5.4952 0.998 3087326 TimTec1_007486 COc1cccc(=O)c2c(C)n(C)c(C)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E07 compound treatment 0.251 0.0168 0.63 0.252 0.00728 0.33 0.6776 0.9566 3211481 TimTec1_007487 COc1ccc(cc1)C(=O)OCc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E08 compound treatment 0.253 0.0188 0.7 0.262 0.0173 0.79 1.054 0.9981 3087327 TimTec1_007488 CCC(CC)C(=O)N1CCN(CC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E09 compound treatment 0.388 0.154 5.72 0.371 0.126 5.78 8.1336 1.0 3211554 TimTec1_007489 Cc1ccc(o1)C(=O)C2=C(O)C(=O)N(C2c3cccc(OCC=C)c3)c4nnc(C)s4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E10 compound treatment 0.259 0.0248 0.92 0.259 0.0143 0.65 1.1146 0.9857 3087328 TimTec1_007490 CCN(CC)Cc1cc(oc1C(=O)O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E11 compound treatment 0.257 0.0228 0.85 0.256 0.0113 0.52 0.9649 0.9717 3211555 TimTec1_007491 Cc1ccc(OCCCn2c(=O)oc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E12 compound treatment 0.314 0.0798 2.97 0.3 0.0553 2.53 3.8886 0.9969 1870617 TimTec1_007492 Cc1nc(NC(=O)c2sc3ccccc3c2Cl)sc1C(=O)OCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E13 compound treatment 0.25 0.0158 0.59 0.253 0.00828 0.38 0.6837 0.9774 3087329 TimTec1_007493 COC(=O)c1cn(CCCOc2ccccc2OC)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E14 compound treatment 0.246 0.0118 0.44 0.249 0.00428 0.2 0.449 0.9338 1875124 TimTec1_007494 COc1ccc(CNC(=O)c2oc3ccccc3c2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E15 compound treatment 0.251 0.0168 0.63 0.256 0.0113 0.52 0.8071 0.9955 3087330 TimTec1_007495 CCOCC(=O)N1CCN(CC1)c2cccc(C)c2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E16 compound treatment 0.257 0.0228 0.85 0.258 0.0133 0.61 1.0297 0.9866 1718923 TimTec1_007496 C(N1CCN(CC1)C2CCCCCC2)c3ccc4OCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E17 compound treatment 0.269 0.0348 1.29 0.268 0.0233 1.07 1.669 0.9953 1863832 TimTec1_007497 CC(C)(C)NCc1ccccc1OCc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E18 compound treatment 0.262 0.0278 1.03 0.259 0.0143 0.65 1.1935 0.9755 3211556 TimTec1_007498 S(C(c1ccccc1)c2ccccc2)c3nc[nH]n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E19 compound treatment 0.254 0.0198 0.74 0.254 0.00928 0.42 0.8212 0.9658 3211557 TimTec1_007499 COC(=O)c1cn(CC(=O)NCc2ccco2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E20 compound treatment 0.256 0.0218 0.81 0.255 0.0103 0.47 0.9062 0.9665 3087331 TimTec1_007500 C(NC(c1ccccc1)c2ccccc2)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E21 compound treatment 0.248 0.0138 0.51 0.248 0.00328 0.15 0.4692 0.877 3087332 TimTec1_007501 C1CCC(C1)Nc2ncnc3sc4CCCc4c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E22 compound treatment 0.255 0.0208 0.77 0.255 0.0103 0.47 0.8799 0.9715 1600198 TimTec1_007502 Clc1cc(NCc2ccc3OCOc3c2)ccc1N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E23 mock treatment 0.253 0.0188 0.7 0.252 0.00728 0.33 0.7302 0.9424 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 E24 mock treatment 0.234 -1.94E-4 -0.01 0.241 -0.00372 -0.17 -0.1257 -0.7363 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F01 compound treatment 0.235 8.06E-4 0.03 0.236 -0.00872 -0.4 -0.2612 -0.6522 3211558 TimTec1_007503 CN(C)C(=O)C1=C(C)NC(=O)NC1c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F02 compound treatment 0.257 0.0228 0.85 0.258 0.0133 0.61 1.0297 0.9866 3087333 TimTec1_007504 Cc1cc(C)nc(NC2=NC(=O)CC(N2c3cccc(Cl)c3)C(=O)O)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F03 compound treatment 0.265 0.0308 1.15 0.255 0.0103 0.47 1.1429 0.9227 1348377 TimTec1_007505 Cc1cc(C)c(C#N)c(SCC(O)COc2ccc(Cl)cc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F04 compound treatment 0.254 0.0198 0.74 0.254 0.00928 0.42 0.8212 0.9658 3087334 TimTec1_007506 CC(=C)Cn1c(Cc2ccccc2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F05 compound treatment 0.258 0.0238 0.89 0.258 0.0133 0.61 1.056 0.9832 1458633 TimTec1_007507 Clc1ccc(CC(=O)N2CCN(CC2)C=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F06 compound treatment 0.258 0.0238 0.89 0.262 0.0173 0.79 1.1855 0.9984 3211559 TimTec1_007508 C=CCNC(=O)C1CN(C(=O)C1)c2ccc(OCC(=O)N3CCCC3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F07 compound treatment 0.261 0.0268 1.0 0.264 0.0193 0.88 1.3291 0.9982 3087335 TimTec1_007509 CC(C)N(C(C)C)C(=O)Cc1cccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F08 compound treatment 0.264 0.0298 1.11 0.26 0.0153 0.7 1.2785 0.9753 1336201 TimTec1_007510 Oc1c(CN2CCCC2)c(=O)oc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F09 compound treatment 0.284 0.0498 1.85 0.278 0.0333 1.52 2.3873 0.9953 3211560 TimTec1_007511 Cc1cc(C)c2c(n1)sc3c4OC(=C(C#N)C(c5cccc(Cl)c5)c4c(=O)[nH]c32)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F10 compound treatment 0.254 0.0198 0.74 0.255 0.0103 0.47 0.8536 0.9765 3087336 TimTec1_007512 CCC(=O)Nc1ccc2n(cnc2c1)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F11 compound treatment 0.256 0.0218 0.81 0.256 0.0113 0.52 0.9386 0.9762 3087337 TimTec1_007513 Fc1ccc(OCC(=O)NCCN2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F12 compound treatment 0.261 0.0268 1.0 0.263 0.0183 0.84 1.2967 0.9962 1313563 TimTec1_007514 CC(C)(C)C(=O)Nc1scc(c2cccs2)c1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F13 compound treatment 0.26 0.0258 0.96 0.261 0.0163 0.75 1.2057 0.9922 1443986 TimTec1_007515 CCC(=O)Nc1nc2ccc(OC)cc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F14 compound treatment 0.262 0.0278 1.03 0.263 0.0183 0.84 1.323 0.9945 1708556 TimTec1_007516 OC(=O)CC1(O)C(=O)N(Cc2ccccc2)c3ccccc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F15 compound treatment 0.262 0.0278 1.03 0.265 0.0203 0.93 1.3878 0.9985 3211561 TimTec1_007517 CCc1ccc(NC2OC(=O)c3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F16 compound treatment 0.263 0.0288 1.07 0.266 0.0213 0.97 1.4465 0.9989 1594430 TimTec1_007518 COc1ccc(OCC(=O)N2CCN(CC2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F17 compound treatment 0.272 0.0378 1.41 0.272 0.0273 1.25 1.8774 0.9982 3211562 TimTec1_007519 CC(N(c1ccccc1)S(=O)(=O)C)C(=O)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F18 compound treatment 0.266 0.0318 1.18 0.266 0.0213 0.97 1.5254 0.9953 1461764 TimTec1_007520 Brc1ccc2nc(Nc3ccc(cc3)C(=O)N4CCOCC4)nc(c5ccccc5)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F19 compound treatment 0.298 0.0638 2.37 0.296 0.0513 2.35 3.3383 1.0 3087338 TimTec1_007521 CC(C)(C)c1ccc(cc1)C(=O)n2cnnc2N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F20 compound treatment 0.255 0.0208 0.77 0.255 0.0103 0.47 0.8799 0.9715 1738860 TimTec1_007522 Clc1ccc(cc1)C(=O)COC(=O)c2cnccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F21 compound treatment 0.267 0.0328 1.22 0.263 0.0183 0.84 1.4545 0.9831 3211563 TimTec1_007523 CCN(C(=O)c1ccc(Cl)cc1Cl)c2nnc(s2)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F22 compound treatment 0.257 0.0228 0.85 0.256 0.0113 0.52 0.9649 0.9717 1155556 TimTec1_007524 CC(C)C(=O)Nc1ccc2OCCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F23 mock treatment 0.255 0.0208 0.77 0.254 0.00928 0.42 0.8475 0.9601 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 F24 mock treatment 0.244 0.00981 0.36 0.245 2.76E-4 0.01 0.2668 0.7312 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G01 compound treatment 0.235 8.06E-4 0.03 0.232 -0.0127 -0.58 -0.3908 -0.6698 3211564 TimTec1_007525 O=C(NC1=NC2CCCCC2N1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G02 compound treatment 0.251 0.0168 0.63 0.252 0.00728 0.33 0.6776 0.9566 3211565 TimTec1_007526 CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc2nncs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G03 compound treatment 0.255 0.0208 0.77 0.254 0.00928 0.42 0.8475 0.9601 3087339 TimTec1_007527 COC(=O)CC1=C(C(NC(=O)N1)c2ccccc2)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G04 compound treatment 0.256 0.0218 0.81 0.257 0.0123 0.56 0.971 0.984 1183771 TimTec1_007528 Cc1ccc(OCC(=O)Nc2sc3c(CC(C)(C)NC3(C)C)c2C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G05 compound treatment 0.253 0.0188 0.7 0.252 0.00728 0.33 0.7302 0.9424 3211566 TimTec1_007529 CC1CCCC(C1)NCCNC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G06 compound treatment 0.261 0.0268 1.0 0.271 0.0263 1.2 1.5557 0.9956 1176872 TimTec1_007530 O=C(Nc1ncnc2sc3CCCCCc3c12)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G07 compound treatment 0.256 0.0218 0.81 0.256 0.0113 0.52 0.9386 0.9762 3211567 TimTec1_007531 Cc1nn(C2CCCC2)c3[nH]c(=O)cc(C)c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G08 compound treatment 0.26 0.0258 0.96 0.26 0.0153 0.7 1.1733 0.9879 1382217 TimTec1_007532 Nc1ccc2n(CCO)c(CO)nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G09 compound treatment 0.25 0.0158 0.59 0.253 0.00828 0.38 0.6837 0.9774 1564264 TimTec1_007533 Cc1oc(cc1COc2ccc(C)cc2)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G10 compound treatment 0.252 0.0178 0.66 0.252 0.00728 0.33 0.7039 0.9494 3211568 TimTec1_007534 Clc1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G11 compound treatment 0.319 0.0848 3.15 0.315 0.0703 3.22 4.5058 1.0 3087380 TimTec1_007535 CC(C)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G12 compound treatment 0.27 0.0358 1.33 0.271 0.0263 1.2 1.7925 0.9987 3087381 TimTec1_007536 CN(C)CCN1C(C(=C(O)C1=O)C(=O)c2ccccc2)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G13 compound treatment 0.256 0.0218 0.81 0.254 0.00928 0.42 0.8738 0.9544 3087382 TimTec1_007537 OC(=O)C1C(C2CC1C=C2)C(=O)NCCc3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G14 compound treatment 0.331 0.0968 3.6 0.331 0.0863 3.95 5.3394 0.9989 3087383 TimTec1_007538 O=C(Nc1sc2CCCc2c1C(=O)NCc3ccco3)C4COc5ccccc5O4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G15 compound treatment 0.253 0.0188 0.7 0.257 0.0123 0.56 0.8921 0.9941 3087384 TimTec1_007539 C1CCC(CC1)c2noc(n2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G16 compound treatment 0.256 0.0218 0.81 0.253 0.00828 0.38 0.8415 0.9399 3087385 TimTec1_007540 C1CCC(C1)N2CCN(CC2)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G17 compound treatment 0.257 0.0228 0.85 0.258 0.0133 0.61 1.0297 0.9866 1235567 TimTec1_007541 CCOc1cccc(CN(C(=O)C)c2ccc3[nH]c(=O)[nH]c3c2)c1OCc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G18 compound treatment 0.248 0.0138 0.51 0.257 0.0123 0.56 0.7606 0.999 3087386 TimTec1_007542 CC(C)(C)c1nc2C(C(=C(N)Oc2o1)C#N)c3ccc(Cl)cc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G19 compound treatment 0.262 0.0278 1.03 0.26 0.0153 0.7 1.2259 0.9819 3211569 TimTec1_007543 CC(Nc1nc(nc2ccccc12)N3CCOCC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G20 compound treatment 0.252 0.0178 0.66 0.25 0.00528 0.24 0.6391 0.9066 3087387 TimTec1_007544 CC(NCc1sccc1C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G21 compound treatment 0.256 0.0218 0.81 0.253 0.00828 0.38 0.8415 0.9399 3211570 TimTec1_007545 CC(C)C(=O)Nc1ccc2oc(=O)ccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G22 compound treatment 0.25 0.0158 0.59 0.252 0.00728 0.33 0.6513 0.9638 3087388 TimTec1_007546 Cn1nnc(n1)C(O)CNCc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G23 mock treatment 0.254 0.0198 0.74 0.254 0.00928 0.42 0.8212 0.9658 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 G24 mock treatment 0.247 0.0128 0.48 0.243 -0.00172 -0.08 0.281 0.582 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H01 compound treatment 0.238 0.00381 0.14 0.248 0.00328 0.15 0.2062 0.9996 1275919 TimTec1_007547 COc1ccc(CC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H02 compound treatment 0.258 0.0238 0.89 0.258 0.0133 0.61 1.056 0.9832 3087389 TimTec1_007548 c1cncc(c1)c2nnc(nn2)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H03 compound treatment 0.252 0.0178 0.66 0.253 0.00828 0.38 0.7363 0.9649 1489991 TimTec1_007549 C(NC1CCN(Cc2ccccc2)CC1)C3CCCO3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H04 compound treatment 0.257 0.0228 0.85 0.259 0.0143 0.65 1.062 0.9917 3087390 TimTec1_007550 Cc1cc2ncn(CCOc3ccccc3)c2cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H05 compound treatment 0.257 0.0228 0.85 0.258 0.0133 0.61 1.0297 0.9866 1235475 TimTec1_007551 Cc1ccc(OCC(=O)N2CCCCC2)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H06 compound treatment 0.259 0.0248 0.92 0.256 0.0113 0.52 1.0175 0.9624 3087391 TimTec1_007552 COc1ccc(Cn2c(C)ccc2C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H07 compound treatment 0.25 0.0158 0.59 0.253 0.00828 0.38 0.6837 0.9774 3211655 TimTec1_007553 O=C(CCC1CCCCC1)NCCCN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H08 compound treatment 0.253 0.0188 0.7 0.257 0.0123 0.56 0.8921 0.9941 1250277 TimTec1_007554 CSc1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H09 compound treatment 0.256 0.0218 0.81 0.255 0.0103 0.47 0.9062 0.9665 3087392 TimTec1_007555 NC(=O)Cn1c(=O)n(CC(=O)N)c2ccccc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H10 compound treatment 0.255 0.0208 0.77 0.256 0.0113 0.52 0.9123 0.9806 1733719 TimTec1_007556 CN(C(=O)CCN1C(=O)C(C)(C)Nc2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H11 compound treatment 0.259 0.0248 0.92 0.258 0.0133 0.61 1.0823 0.9795 3087393 TimTec1_007557 Nc1nc2ccc(cc2s1)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H12 compound treatment 0.303 0.0688 2.56 0.31 0.0653 2.99 3.9231 0.997 1201207 TimTec1_007558 Cc1ccc(cc1C)c2csc(n2)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H13 compound treatment 0.263 0.0288 1.07 0.258 0.0133 0.61 1.1875 0.9639 1304451 TimTec1_007559 CCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H14 compound treatment 0.278 0.0438 1.63 0.278 0.0333 1.52 2.2295 0.9994 3211656 TimTec1_007560 CCOc1ccc2[nH]c(=O)c(Cc3ccccc3)c(O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H15 compound treatment 0.247 0.0128 0.48 0.246 0.00128 0.06 0.3781 0.7879 3211657 TimTec1_007561 CC(Sc1ccc(C)cc1)C(=O)NCc2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H16 compound treatment 0.292 0.0578 2.15 0.296 0.0513 2.35 3.1805 0.999 3087394 TimTec1_007562 Clc1cccc(c1)c2nc(no2)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H17 compound treatment 0.261 0.0268 1.0 0.262 0.0173 0.79 1.2644 0.9934 3211658 TimTec1_007563 CCC(=O)N1CCN(CC1)c2ccc(NCc3ccccc3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H18 compound treatment 0.258 0.0238 0.89 0.256 0.0113 0.52 0.9912 0.967 1531690 TimTec1_007564 O=C1NCCCc2nc(Oc3ccccc3)sc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H19 compound treatment 0.245 0.0108 0.4 0.244 -7.24E-4 -0.03 0.2608 0.6466 3211659 TimTec1_007565 O=C(NCCc1ccccc1)c2cnc3ccccn3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H20 compound treatment 0.258 0.0238 0.89 0.258 0.0133 0.61 1.056 0.9832 3087395 TimTec1_007566 CC(=O)Nc1ccc(Oc2ccc(cc2)c3noc(C)n3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H21 compound treatment 0.253 0.0188 0.7 0.252 0.00728 0.33 0.7302 0.9424 3211660 TimTec1_007567 CC1=CC(C)(C)N(C(=O)CSc2ccccn2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H22 compound treatment 0.259 0.0248 0.92 0.255 0.0103 0.47 0.9851 0.9512 1143596 TimTec1_007568 Cc1cc(NCc2cccnc2)c3ccc(Cl)cc3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H23 mock treatment 0.257 0.0228 0.85 0.257 0.0123 0.56 0.9973 0.98 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 H24 mock treatment 0.235 8.06E-4 0.03 0.244 -7.24E-4 -0.03 -0.0022 -0.05 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I01 compound treatment 0.264 0.0298 1.11 0.261 0.0163 0.75 1.3109 0.9813 3211661 TimTec1_007569 Cc1[nH]c2ccccc2c1C(=O)CSc3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I02 compound treatment 0.26 0.0258 0.96 0.264 0.0193 0.88 1.3028 0.9991 3087396 TimTec1_007570 CCCC(=O)Nc1nnc(s1)c2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I03 compound treatment 0.258 0.0238 0.89 0.256 0.0113 0.52 0.9912 0.967 3211662 TimTec1_007571 Fc1ccc(NC(=O)C2CC(=O)N3CCN=C3S2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I04 compound treatment 0.255 0.0208 0.77 0.256 0.0113 0.52 0.9123 0.9806 1690088 TimTec1_007572 Cc1nc(=O)c(c(C)n1Cc2ccco2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I05 compound treatment 0.262 0.0278 1.03 0.263 0.0183 0.84 1.323 0.9945 3087397 TimTec1_007573 Cc1cc2nc3CCCCc3c(n2n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I06 compound treatment 0.263 0.0288 1.07 0.264 0.0193 0.88 1.3817 0.9954 3211663 TimTec1_007574 O=C(Nc1ncnc2sc3CCCc3c12)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I07 compound treatment 0.258 0.0238 0.89 0.26 0.0153 0.7 1.1207 0.9932 3087398 TimTec1_007575 COc1ccc(cc1)C2(CCOCC2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I08 compound treatment 0.268 0.0338 1.26 0.261 0.0163 0.75 1.4161 0.9688 1232670 TimTec1_007576 CC(=O)Nc1ccc(cc1)c2nc3ccc(NC(=O)C)cc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I09 compound treatment 0.285 0.0508 1.89 0.287 0.0423 1.94 2.705 0.9999 3087399 TimTec1_007577 CC1(C)CC(=O)C2=C(C1)NC3=C(C2c4ccccc4C(F)(F)F)C(=O)CC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I10 compound treatment 0.259 0.0248 0.92 0.263 0.0183 0.84 1.2441 0.9988 3211664 TimTec1_007578 CC(C)(C)c1oc(cc1CN2CCCC2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I11 compound treatment 0.307 0.0728 2.71 0.301 0.0563 2.58 3.7369 0.9997 3087400 TimTec1_007579 FC(F)(F)c1ccc(Cl)c(c1)c2ccc(C#N)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I12 compound treatment 0.266 0.0318 1.18 0.266 0.0213 0.97 1.5254 0.9953 3211665 TimTec1_007580 Cc1ccc(cc1)c2nc(C#N)c(NCc3ccc4OCOc4c3)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I13 compound treatment 0.259 0.0248 0.92 0.26 0.0153 0.7 1.147 0.9907 1228965 TimTec1_007581 CCC(Oc1ccccc1)C(=O)Nc2nncs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I14 compound treatment 0.272 0.0378 1.41 0.27 0.0253 1.16 1.8127 0.9953 3211666 TimTec1_007582 Clc1c(sc2cc(Cl)ccc12)C(=O)NCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I15 compound treatment 0.288 0.0538 2.0 0.286 0.0413 1.89 2.7515 0.9996 1872119 TimTec1_007583 O=C(COC(=O)c1cnccn1)c2ccc(cc2)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I16 compound treatment 0.266 0.0318 1.18 0.265 0.0203 0.93 1.493 0.9928 3087401 TimTec1_007584 COc1cccc(CN2C(=O)C3(C(=C(N)OC4=C3C(=O)CCC4)C#N)c5ccccc25)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I17 compound treatment 0.264 0.0298 1.11 0.27 0.0253 1.16 1.6023 0.9998 3211667 TimTec1_007585 CCc1cccc2c(C#N)cn(CC(=O)NCc3ccco3)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I18 compound treatment 0.293 0.0588 2.19 0.282 0.0373 1.71 2.7535 0.9925 3211668 TimTec1_007586 Nc1c(Nc2ccc(F)cc2)sc3c(O)cc(=O)[nH]c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I19 compound treatment 0.26 0.0258 0.96 0.259 0.0143 0.65 1.1409 0.9825 3087402 TimTec1_007587 COc1cc2[nH]c(=O)c(C(=O)NC(C)c3ccccc3)c(O)c2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I20 compound treatment 0.266 0.0318 1.18 0.265 0.0203 0.93 1.493 0.9928 3211669 TimTec1_007588 CN(C(=O)Cn1cc(C#N)c2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I21 compound treatment 0.26 0.0258 0.96 0.26 0.0153 0.7 1.1733 0.9879 3211670 TimTec1_007589 O=C(Nc1ccc2oc(=O)ccc2c1)c3cc4ccccc4o3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I22 compound treatment 0.262 0.0278 1.03 0.263 0.0183 0.84 1.323 0.9945 3087403 TimTec1_007590 Cc1nnc2SC(=CC=Nn12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I23 mock treatment 0.257 0.0228 0.85 0.255 0.0103 0.47 0.9325 0.9613 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 I24 mock treatment 0.225 -0.00919 -0.34 0.248 0.00328 0.15 -0.1357 -0.3635 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J01 compound treatment 0.25 0.0158 0.59 0.26 0.0153 0.7 0.9103 0.9963 3087404 TimTec1_007591 COc1ccc(OCCn2cc(C#N)c3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J02 compound treatment 0.253 0.0188 0.7 0.253 0.00828 0.38 0.7626 0.9585 3211671 TimTec1_007592 Cc1ccc(NC(=O)C2C3CC(C)(Oc4ccccc34)N(CCO)C2=O)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J03 compound treatment 0.258 0.0238 0.89 0.258 0.0133 0.61 1.056 0.9832 3211672 TimTec1_007593 CC(=O)Nc1cccc(c1)c2csc(Nc3cccc(O)c3)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J04 compound treatment 0.247 0.0128 0.48 0.248 0.00328 0.15 0.4429 0.8868 3087405 TimTec1_007594 CCOC(=O)c1cc(CN2CCOCC2)oc1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J05 compound treatment 0.246 0.0118 0.44 0.244 -7.24E-4 -0.03 0.2871 0.6519 1516475 TimTec1_007595 O=C(CC1CCCCC1)Nc2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J06 compound treatment 0.275 0.0408 1.52 0.268 0.0233 1.07 1.8268 0.985 3087406 TimTec1_007596 O=C(Cn/1ccs\c1=N\C(=O)c2ccco2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J07 compound treatment 0.254 0.0198 0.74 0.253 0.00828 0.38 0.7889 0.9522 3211673 TimTec1_007597 CC1(C)CC(CC(C)(C)N1)NC(=O)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J08 compound treatment 0.255 0.0208 0.77 0.255 0.0103 0.47 0.8799 0.9715 1134872 TimTec1_007598 CC(C)n1c(NCc2ccccc2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J09 compound treatment 0.254 0.0198 0.74 0.252 0.00728 0.33 0.7565 0.9356 3211674 TimTec1_007599 O=C(NCCN1CCCCC1)c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J10 compound treatment 0.268 0.0338 1.26 0.281 0.0363 1.66 2.0636 0.9906 1510800 TimTec1_007600 Cc1cccc(NC(=O)c2cc(O)nc3ccccc23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J11 compound treatment 0.255 0.0208 0.77 0.256 0.0113 0.52 0.9123 0.9806 3087407 TimTec1_007601 COc1ccc(OCC(=O)Nc2ncccn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J12 compound treatment 0.256 0.0218 0.81 0.254 0.00928 0.42 0.8738 0.9544 3211675 TimTec1_007602 O=C(CSc1nc(nc2CCCCc12)c3ccccc3)N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J13 compound treatment 0.255 0.0208 0.77 0.255 0.0103 0.47 0.8799 0.9715 3087408 TimTec1_007603 NS(=O)(=O)c1csc(c1)C(=O)Nc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J14 compound treatment 0.26 0.0258 0.96 0.258 0.0133 0.61 1.1086 0.9757 3211676 TimTec1_007604 Cc1ccc(cc1C)C(=O)CCc2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J15 compound treatment 0.246 0.0118 0.44 0.248 0.00328 0.15 0.4166 0.8977 1344730 TimTec1_007605 NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J16 compound treatment 0.29 0.0558 2.08 0.286 0.0413 1.89 2.8041 0.9989 3211677 TimTec1_007606 CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc2nnc[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J17 compound treatment 0.26 0.0258 0.96 0.259 0.0143 0.65 1.1409 0.9825 3211775 TimTec1_007607 O=C(NCCSC1CCCCC1)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J18 compound treatment 0.247 0.0128 0.48 0.247 0.00228 0.1 0.4105 0.8419 3087409 TimTec1_007608 OC(=O)CCCC(=O)Nc1ccc(cc1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J19 compound treatment 0.258 0.0238 0.89 0.256 0.0113 0.52 0.9912 0.967 3211776 TimTec1_007609 Clc1ccc(CNC(=O)Cc2cccs2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J20 compound treatment 0.269 0.0348 1.29 0.269 0.0243 1.11 1.7014 0.9971 3211777 TimTec1_007610 CCC(=O)Nc1cc(ccc1C)C(=O)OCC(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J21 compound treatment 0.254 0.0198 0.74 0.255 0.0103 0.47 0.8536 0.9765 3087410 TimTec1_007611 CN1CCN(CC1)c2nc(=O)c3CCCCc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J22 compound treatment 0.258 0.0238 0.89 0.261 0.0163 0.75 1.1531 0.9963 1397831 TimTec1_007612 C1Cc2nc3ccccc3c(N4CCOCC4)c2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J23 mock treatment 0.251 0.0168 0.63 0.247 0.00228 0.1 0.5157 0.8138 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 J24 mock treatment 0.224 -0.0102 -0.38 0.244 -7.24E-4 -0.03 -0.2915 -0.766 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K01 compound treatment 0.229 -0.00519 -0.19 0.242 -0.00272 -0.12 -0.2248 -0.9776 3211778 TimTec1_007613 CC1(C)CC(=O)C2=C(C1)Nc3nn(c(O)c3C2c4ccco4)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K02 compound treatment 0.261 0.0268 1.0 0.264 0.0193 0.88 1.3291 0.9982 1406475 TimTec1_007614 Nc1nc2ccccc2n1Cc3ccc(Cl)c(Cl)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K03 compound treatment 0.255 0.0208 0.77 0.255 0.0103 0.47 0.8799 0.9715 3087411 TimTec1_007615 Oc1ccccc1CNc2cnc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K04 compound treatment 0.262 0.0278 1.03 0.264 0.0193 0.88 1.3554 0.9969 1715858 TimTec1_007616 COc1ccc(Nc2nnc(C)c3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K05 compound treatment 0.258 0.0238 0.89 0.258 0.0133 0.61 1.056 0.9832 3087412 TimTec1_007617 CCOC(=O)c1cnc2cc(C)nn2c1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K06 compound treatment 0.258 0.0238 0.89 0.256 0.0113 0.52 0.9912 0.967 3211779 TimTec1_007618 CC(OC(=O)CCc1c[nH]c2ccccc12)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K07 compound treatment 0.278 0.0438 1.63 0.278 0.0333 1.52 2.2295 0.9994 3211780 TimTec1_007619 Cc1cc(SCCOc2ccc(Cl)cc2Cl)nc(N)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K08 compound treatment 0.259 0.0248 0.92 0.259 0.0143 0.65 1.1146 0.9857 1285395 TimTec1_007620 COc1cccc2cc(C(=O)N3CCN(CCO)CC3)c(=O)oc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K09 compound treatment 0.254 0.0198 0.74 0.253 0.00828 0.38 0.7889 0.9522 1875159 TimTec1_007621 CC(Oc1ccc(F)cc1)C(=O)NCc2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K10 compound treatment 0.288 0.0538 2.0 0.29 0.0453 2.07 2.881 0.9998 3086523 TimTec1_007622 COC(=O)C(Cc1ccccc1)NC(=O)c2cc(oc2C)c3ccc4OCCOc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K11 compound treatment 0.285 0.0508 1.89 0.286 0.0413 1.89 2.6726 1.0 3086524 TimTec1_007623 CCc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K12 compound treatment 0.254 0.0198 0.74 0.258 0.0133 0.61 0.9508 0.9954 3086525 TimTec1_007624 Cc1nc(C#N)c(NCc2ccc(C)cc2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K13 compound treatment 0.262 0.0278 1.03 0.26 0.0153 0.7 1.2259 0.9819 3086526 TimTec1_007625 O=C(Cc1cccc2ccccc12)NCCN3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K14 compound treatment 0.252 0.0178 0.66 0.252 0.00728 0.33 0.7039 0.9494 3086527 TimTec1_007626 O=C(NCCNC1CCCCC1)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K15 compound treatment 0.274 0.0398 1.48 0.272 0.0273 1.25 1.93 0.9964 3211781 TimTec1_007627 Cc1cc(C(=O)OCC(=O)N(c2ccccc2)c3ccccc3)c4ccccc4n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K16 compound treatment 0.276 0.0418 1.55 0.276 0.0313 1.43 2.1121 0.9992 3086528 TimTec1_007628 CC(C)OC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c3ccc(cc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K17 compound treatment 0.264 0.0298 1.11 0.265 0.0203 0.93 1.4404 0.9961 3211782 TimTec1_007629 COc1ccc(cc1)C(=O)NCc2ccoc2C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K18 compound treatment 0.258 0.0238 0.89 0.261 0.0163 0.75 1.1531 0.9963 3086529 TimTec1_007630 CC(C)N1C(=O)C(O)(CC(=O)c2ccccc2O)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K19 compound treatment 0.264 0.0298 1.11 0.265 0.0203 0.93 1.4404 0.9961 1862563 TimTec1_007631 O=C(COc1cccc2ccccc12)Nc3ccc(CN4CCOCC4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K20 compound treatment 0.255 0.0208 0.77 0.254 0.00928 0.42 0.8475 0.9601 3211783 TimTec1_007632 CCOc1cc(CNn2cnnc2)cc(Cl)c1OCC(=O)NC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K21 compound treatment 0.251 0.0168 0.63 0.252 0.00728 0.33 0.6776 0.9566 3086530 TimTec1_007633 NCc1ccc(cc1)c2nc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K22 compound treatment 0.27 0.0358 1.33 0.26 0.0153 0.7 1.4363 0.9548 3086531 TimTec1_007634 Cc1nn2c3cc(ccc3nc2c4ccccc14)N5CCOCC5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K23 mock treatment 0.257 0.0228 0.85 0.256 0.0113 0.52 0.9649 0.9717 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 K24 mock treatment 0.225 -0.00919 -0.34 0.244 -7.24E-4 -0.03 -0.2652 -0.772 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L01 compound treatment 0.248 0.0138 0.51 0.252 0.00728 0.33 0.5987 0.978 3211784 TimTec1_007635 Fc1ccc(Cn2cc(C#N)c3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L02 compound treatment 0.255 0.0208 0.77 0.256 0.0113 0.52 0.9123 0.9806 3211785 TimTec1_007636 CC1(C)CNC(=O)c2sc(NC(=O)c3ccccc3Cl)nc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L03 compound treatment 0.256 0.0218 0.81 0.259 0.0143 0.65 1.0357 0.9943 3086532 TimTec1_007637 Cc1ccc2[nH]c(CCC(=O)O)nc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L04 compound treatment 0.26 0.0258 0.96 0.258 0.0133 0.61 1.1086 0.9757 1861878 TimTec1_007638 O=C(Nc1ccccc1N2CCCC2)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L05 compound treatment 0.264 0.0298 1.11 0.26 0.0153 0.7 1.2785 0.9753 1581232 TimTec1_007639 CCc1ccc(OCC(=O)N2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L06 compound treatment 0.279 0.0448 1.67 0.277 0.0323 1.48 2.2234 0.9982 3211786 TimTec1_007640 O=C1CCCC2=C1C(C3=C(CCCC3=O)N2)c4cccc5ccccc45 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L07 compound treatment 0.251 0.0168 0.63 0.252 0.00728 0.33 0.6776 0.9566 3086533 TimTec1_007641 O=C(NCCN1CCOCC1)c2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L08 compound treatment 0.255 0.0208 0.77 0.254 0.00928 0.42 0.8475 0.9601 1650547 TimTec1_007642 Oc1ccc(COCc2ccccc2)c3cccnc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L09 compound treatment 0.253 0.0188 0.7 0.257 0.0123 0.56 0.8921 0.9941 3086534 TimTec1_007643 CC(CN1CCCC1)OC(=O)c2ccccc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L10 compound treatment 0.267 0.0328 1.22 0.266 0.0213 0.97 1.5517 0.9938 1613918 TimTec1_007644 OC(=O)c1c(NC(=O)c2cccs2)scc1c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L11 compound treatment 0.253 0.0188 0.7 0.256 0.0113 0.52 0.8597 0.9888 3211787 TimTec1_007645 O=C(NCCN1CCOCC1)c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L12 compound treatment 0.257 0.0228 0.85 0.261 0.0163 0.75 1.1268 0.9979 3086535 TimTec1_007646 CN(CC(=O)NC1CCCCC1)S(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L13 compound treatment 0.259 0.0248 0.92 0.261 0.0163 0.75 1.1794 0.9944 1502643 TimTec1_007647 CCOc1ccc(NCC(=O)Nc2ccc(F)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L14 compound treatment 0.264 0.0298 1.11 0.266 0.0213 0.97 1.4728 0.9979 3211788 TimTec1_007648 CCOc1ccc(cc1)C(=O)CCc2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L15 compound treatment 0.257 0.0228 0.85 0.259 0.0143 0.65 1.062 0.9917 3086536 TimTec1_007649 Cc1ccc(cc1n2cccc2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L16 compound treatment 0.266 0.0318 1.18 0.267 0.0223 1.02 1.5577 0.9973 1742683 TimTec1_007650 CC(Oc1cccc(Cl)c1)C(=O)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L17 compound treatment 0.262 0.0278 1.03 0.264 0.0193 0.88 1.3554 0.9969 3211789 TimTec1_007651 O=C(NCCSc1ccccc1)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L18 compound treatment 0.254 0.0198 0.74 0.253 0.00828 0.38 0.7889 0.9522 3211790 TimTec1_007652 O=C(Cc1cccs1)Nc2cccc(c2)C(=O)Nc3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L19 compound treatment 0.255 0.0208 0.77 0.256 0.0113 0.52 0.9123 0.9806 1196911 TimTec1_007653 Cc1onc(c1C(=O)NC2CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L20 compound treatment 0.268 0.0338 1.26 0.266 0.0213 0.97 1.578 0.992 1436556 TimTec1_007654 Cc1ccc(cc1C)C(=O)COC(=O)c2cnccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L21 compound treatment 0.259 0.0248 0.92 0.259 0.0143 0.65 1.1146 0.9857 3086537 TimTec1_007655 CC1=C(Sc2ccccc2N1)C(=O)Nc3ccccc3C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L22 compound treatment 0.251 0.0168 0.63 0.253 0.00828 0.38 0.71 0.9712 3211791 TimTec1_007656 CC(C)C(=O)Nc1nc(cs1)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L23 mock treatment 0.254 0.0198 0.74 0.25 0.00528 0.24 0.6917 0.8922 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 L24 mock treatment 0.228 -0.00619 -0.23 0.252 0.00728 0.33 0.0727 0.1794 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M01 compound treatment 0.242 0.00781 0.29 0.245 2.76E-4 0.01 0.2142 0.7372 3211792 TimTec1_007657 COc1ccccc1NC(=O)C2=C(C)Nc3ccccc3S2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M02 compound treatment 0.265 0.0308 1.15 0.267 0.0223 1.02 1.5314 0.9983 3086538 TimTec1_007658 COCc1nc2ccccc2n1Cc3cccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M03 compound treatment 0.254 0.0198 0.74 0.254 0.00928 0.42 0.8212 0.9658 3211793 TimTec1_007659 CCOC(=O)C1C2OC3(CN(C4CCCC4)C(=O)C13)C=C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M04 compound treatment 0.262 0.0278 1.03 0.262 0.0173 0.79 1.2907 0.9912 1193736 TimTec1_007660 CNC(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M05 compound treatment 0.262 0.0278 1.03 0.259 0.0143 0.65 1.1935 0.9755 1412527 TimTec1_007661 Cc1cc(C)cc(NC(=O)COc2ccc(cc2)N3CC(CC3=O)C(=O)NCC=C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M06 compound treatment 0.258 0.0238 0.89 0.259 0.0143 0.65 1.0883 0.9888 3211794 TimTec1_007662 CCOc1ccccc1C(=O)N(Cc2cc3ccccc3nc2O)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M07 compound treatment 0.253 0.0188 0.7 0.254 0.00928 0.42 0.7949 0.9714 3086539 TimTec1_007663 O=C(Nc1cccc2ccccc12)C3CC(=O)OC43CCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M08 compound treatment 0.26 0.0258 0.96 0.261 0.0163 0.75 1.2057 0.9922 3086540 TimTec1_007664 Clc1snc(C(=O)CC#N)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M09 compound treatment 0.255 0.0208 0.77 0.254 0.00928 0.42 0.8475 0.9601 3211795 TimTec1_007665 O=C(C1CC1)c2cn(CCOc3ccccc3)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M10 compound treatment 0.254 0.0198 0.74 0.256 0.0113 0.52 0.886 0.9849 1574331 TimTec1_007666 COC(=O)CC1=C(C(=O)OC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M11 compound treatment 0.283 0.0488 1.82 0.279 0.0343 1.57 2.3934 0.9974 3086541 TimTec1_007667 O=c1oc2ccccc2n1CCOc3cccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M12 compound treatment 0.267 0.0328 1.22 0.285 0.0403 1.84 2.1668 0.9799 1870621 TimTec1_007668 COC(=O)C1=C(C)NC(=O)NC1/C=C/c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M13 compound treatment 0.262 0.0278 1.03 0.266 0.0213 0.97 1.4202 0.9996 3086542 TimTec1_007669 O=C(Cc1cccc2ccccc12)Nc3ccc(CCC(=O)N4CCCC4)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M14 compound treatment 0.246 0.0118 0.44 0.249 0.00428 0.2 0.449 0.9338 3211878 TimTec1_007670 FC(F)(F)c1ccc(Cn2cnc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M15 compound treatment 0.241 0.00681 0.25 0.24 -0.00472 -0.22 0.0261 0.0783 1522627 TimTec1_007671 CC(C)(C)C1CCc2c(C(=O)N)c(N)sc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M16 compound treatment 0.26 0.0258 0.96 0.261 0.0163 0.75 1.2057 0.9922 3086543 TimTec1_007672 Cc1cc(CO)c(C)n1c2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M17 compound treatment 0.255 0.0208 0.77 0.257 0.0123 0.56 0.9447 0.9877 3211879 TimTec1_007673 COC(=O)c1cn(Cc2ccc(C#N)cc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M18 compound treatment 0.264 0.0298 1.11 0.264 0.0193 0.88 1.408 0.9936 1572395 TimTec1_007674 NC(=O)C1CCN(CC1)C(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M19 compound treatment 0.272 0.0378 1.41 0.271 0.0263 1.2 1.8451 0.997 3211880 TimTec1_007675 CN1CCN(CC1)c2ccc(NC(=O)COc3cccc4ccccc34)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M20 compound treatment 0.247 0.0128 0.48 0.247 0.00228 0.1 0.4105 0.8419 3086544 TimTec1_007676 O=C(COc1cccc(NC(=O)c2ccco2)c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M21 compound treatment 0.25 0.0158 0.59 0.249 0.00428 0.2 0.5542 0.8943 3211881 TimTec1_007677 COC(=O)Cn1cc(C(=O)c2ccccc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M22 compound treatment 0.334 0.0998 3.71 0.322 0.0773 3.54 5.1269 0.9997 1168606 TimTec1_007678 Oc1ccc(cc1)c2nc(cs2)c3c[nH]c4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M23 mock treatment 0.253 0.0188 0.7 0.262 0.0173 0.79 1.054 0.9981 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 M24 mock treatment 0.217 -0.0172 -0.64 0.244 -7.24E-4 -0.03 -0.4757 -0.7428 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N01 compound treatment 0.24 0.00581 0.22 0.25 0.00528 0.24 0.3235 0.9984 3211882 TimTec1_007679 O=C(Cn1cc(C#N)c2ccccc12)N3CCc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N02 compound treatment 0.25 0.0158 0.59 0.25 0.00528 0.24 0.5865 0.9228 3086545 TimTec1_007680 Fc1ccc(cc1F)C(=O)NCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N03 compound treatment 0.265 0.0308 1.15 0.265 0.0203 0.93 1.4667 0.9945 3211883 TimTec1_007681 CC1(C)CC(=O)c2sc(NC(=O)CCCc3ccccc3)nc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N04 compound treatment 0.249 0.0148 0.55 0.246 0.00128 0.06 0.4307 0.7777 3086546 TimTec1_007682 CC(=O)Nc1ccc(cc1)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N05 compound treatment 0.259 0.0248 0.92 0.256 0.0113 0.52 1.0175 0.9624 1245976 TimTec1_007683 CC(C)c1ccc(OCC(=O)N2CCC(CC2)C(=O)N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N06 compound treatment 0.261 0.0268 1.0 0.256 0.0113 0.52 1.0701 0.9531 3211884 TimTec1_007684 CCCOc1ccc(NC(=O)C2CN(C(C)C)C(=O)C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N07 compound treatment 0.257 0.0228 0.85 0.257 0.0123 0.56 0.9973 0.98 3086547 TimTec1_007685 Cc1cc(C)cc(c1)C(=O)Nc2nnc[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N08 compound treatment 0.285 0.0508 1.89 0.291 0.0463 2.12 2.8345 0.9984 3211885 TimTec1_007686 COc1ccccc1OCC(=O)Nc2sc3CCCCc3c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N09 compound treatment 0.246 0.0118 0.44 0.248 0.00328 0.15 0.4166 0.8977 3086548 TimTec1_007687 CC(CN1CCCC1)OC(=O)c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N10 compound treatment 0.253 0.0188 0.7 0.251 0.00628 0.29 0.6978 0.9228 1285500 TimTec1_007688 OCCNC(=O)c1cc2sc3ccccc3c2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N11 compound treatment 0.276 0.0418 1.55 0.271 0.0263 1.2 1.9503 0.992 3086549 TimTec1_007689 Cc1ccc(cc1C)C2OC3C=CC(=CC3=N2)NC(=O)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N12 compound treatment 0.25 0.0158 0.59 0.247 0.00228 0.1 0.4894 0.8197 3211886 TimTec1_007690 Cc1ccc(C)n1c2oc(C)c(C)c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N13 compound treatment 0.254 0.0198 0.74 0.25 0.00528 0.24 0.6917 0.8922 3211887 TimTec1_007691 Cc1cc(O)n2nc(NC(=O)c3cccs3)nc2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N14 compound treatment 0.251 0.0168 0.63 0.251 0.00628 0.29 0.6452 0.9378 3086550 TimTec1_007692 Clc1ccccc1OCC(=O)N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N15 compound treatment 0.258 0.0238 0.89 0.262 0.0173 0.79 1.1855 0.9984 3211888 TimTec1_007693 Cc1cccc(NC(=O)Cn2cc(C(=O)C3CC3)c4ccccc24)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N16 compound treatment 0.251 0.0168 0.63 0.251 0.00628 0.29 0.6452 0.9378 3086551 TimTec1_007694 OCc1cn(nc1c2cccnc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N17 compound treatment 0.264 0.0298 1.11 0.266 0.0213 0.97 1.4728 0.9979 1673666 TimTec1_007695 COc1ccc(CNC(Cc2ccccc2)c3ccccc3)c(OC)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N18 compound treatment 0.314 0.0798 2.97 0.3 0.0553 2.53 3.8886 0.9969 3086552 TimTec1_007696 Clc1ccc(CSCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N19 compound treatment 0.239 0.00481 0.18 0.239 -0.00572 -0.26 -0.0589 -0.1857 3211889 TimTec1_007697 Cc1onc(c1C(=O)Nc2cccnc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N20 compound treatment 0.255 0.0208 0.77 0.255 0.0103 0.47 0.8799 0.9715 3211890 TimTec1_007698 CC(=O)Nc1ccc(Oc2cc(C#N)c(C#N)cc2N3CCOCC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N21 compound treatment 0.252 0.0178 0.66 0.25 0.00528 0.24 0.6391 0.9066 3086553 TimTec1_007699 O=C(NC1=NC(=O)CC2N1CCNC2=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N22 compound treatment 0.243 0.00881 0.33 0.245 2.76E-4 0.01 0.2405 0.7338 1456550 TimTec1_007700 O=C(Cn1cnc2ccccc2c1=O)OC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N23 mock treatment 0.247 0.0128 0.48 0.248 0.00328 0.15 0.4429 0.8868 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 N24 mock treatment 0.214 -0.0202 -0.75 0.242 -0.00272 -0.12 -0.6193 -0.8134 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O01 compound treatment 0.213 -0.0212 -0.79 0.207 -0.0377 -1.73 -1.7788 -0.9369 3211891 TimTec1_007701 CCOc1ccc(NC2=NC(CC(=O)N2)C(=O)NCc3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O02 compound treatment 0.267 0.0328 1.22 0.257 0.0123 0.56 1.2603 0.9381 1687553 TimTec1_007702 Cc1ccc(cc1)C(=O)Cn2c3ncnn3c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O03 compound treatment 0.28 0.0458 1.7 0.274 0.0293 1.34 2.1526 0.993 3211892 TimTec1_007703 CCOC(=O)Cc1[nH]nc2OC(=C(C#N)C(c12)c3ccc(Cl)cc3)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O04 compound treatment 0.269 0.0348 1.29 0.257 0.0123 0.56 1.3129 0.9302 3086792 TimTec1_007704 COc1cccc(CNc2nc3ccccc3n2CCN4CCOCC4)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O05 compound treatment 0.26 0.0258 0.96 0.249 0.00428 0.2 0.8172 0.8342 3086793 TimTec1_007705 COc1ccc(cc1)c2ccc(CCC(=O)O)n2C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O06 compound treatment 0.269 0.0348 1.29 0.255 0.0103 0.47 1.2481 0.9061 3086794 TimTec1_007706 COc1ccc2nc(O)c(CN(C(=O)C)c3cccc(C)c3)cc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O07 compound treatment 0.248 0.0138 0.51 0.243 -0.00172 -0.08 0.3073 0.5915 3086795 TimTec1_007707 COc1ccc(Cl)cc1n2cnc3sc(C)c(C)c3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O08 compound treatment 0.25 0.0158 0.59 0.249 0.00428 0.2 0.5542 0.8943 3086796 TimTec1_007708 CN(C)C(=O)c1ccccc1NC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O09 compound treatment 0.238 0.00381 0.14 0.249 0.00428 0.2 0.2385 0.9873 3086797 TimTec1_007709 CC(C)(C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O10 compound treatment 0.249 0.0148 0.55 0.246 0.00128 0.06 0.4307 0.7777 3086798 TimTec1_007710 Cc1ccc(N2CCN(CC2)C(=O)c3cccs3)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O11 compound treatment 0.255 0.0208 0.77 0.266 0.0213 0.97 1.2361 0.9935 3211893 TimTec1_007711 O=c1oc2ccccc2n1CCCOc3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O12 compound treatment 0.631 0.397 14.76 0.393 0.148 6.79 15.237 0.9379 1875235 TimTec1_007712 CCn1c(=N)c(C#N)cc2c(=O)n3ccccc3nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O13 compound treatment 0.269 0.0348 1.29 0.273 0.0283 1.29 1.8309 1.0 1241828 TimTec1_007713 CCC(=O)Nc1sc2CCCc2c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O14 compound treatment 0.252 0.0178 0.66 0.252 0.00728 0.33 0.7039 0.9494 3211894 TimTec1_007714 FC(F)(F)c1ccccc1CNCCc2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O15 compound treatment 0.25 0.0158 0.59 0.244 -7.24E-4 -0.03 0.3923 0.6662 3211895 TimTec1_007715 CCn1nnc(NC(=O)Cc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O16 compound treatment 0.261 0.0268 1.0 0.261 0.0163 0.75 1.232 0.9897 3086799 TimTec1_007716 CC(=O)N1CCN(CC1)c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O17 compound treatment 0.26 0.0258 0.96 0.267 0.0223 1.02 1.3999 0.9995 3211896 TimTec1_007717 Cc1ccc2nc(O)cc(C(=O)OCC(=O)c3ccc(F)cc3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O18 compound treatment 0.264 0.0298 1.11 0.257 0.0123 0.56 1.1814 0.9504 3211897 TimTec1_007718 Nc1nonc1c2nc3ccccc3n2CC(=O)Nc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O19 compound treatment 0.25 0.0158 0.59 0.245 2.76E-4 0.01 0.4247 0.7221 3086800 TimTec1_007719 CC(=O)Nc1c(C)nc2ncnn2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O20 compound treatment 0.24 0.00581 0.22 0.233 -0.0117 -0.54 -0.2269 -0.3921 3211898 TimTec1_007720 Cc1ccc2nc(C)cc(C(=O)OCC(=O)C(C)(C)C)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O21 compound treatment 0.249 0.0148 0.55 0.253 0.00828 0.38 0.6574 0.9833 1528103 TimTec1_007721 Clc1ccc(Cl)c(NC(=O)C2COc3ccccc3O2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O22 compound treatment 0.264 0.0298 1.11 0.263 0.0183 0.84 1.3756 0.9904 3211899 TimTec1_007722 N(c1nc(cs1)c2cccs2)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O23 mock treatment 0.247 0.0128 0.48 0.248 0.00328 0.15 0.4429 0.8868 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 O24 mock treatment 0.204 -0.0302 -1.12 0.226 -0.0187 -0.86 -1.4003 -0.9911 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P01 compound treatment 0.184 -0.0502 -1.87 0.178 -0.0667 -3.06 -3.4804 -0.9721 1787717 TimTec1_007723 CCN(CC)C(=O)Cn1cc(C#N)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P02 compound treatment 0.222 -0.0122 -0.45 0.204 -0.0407 -1.86 -1.6392 -0.8542 1448248 TimTec1_007724 CC(Oc1ccccc1)C(=O)NCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P03 compound treatment 0.217 -0.0172 -0.64 0.234 -0.0107 -0.49 -0.7994 -0.9915 1288426 TimTec1_007725 CC(=O)Nc1ccccc1NC(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P04 compound treatment 0.235 8.06E-4 0.03 0.229 -0.0157 -0.72 -0.4879 -0.6771 3211900 TimTec1_007726 COc1ccc(NC(=O)COC(=O)C2CN(Cc3ccc(C)cc3)C(=O)C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P05 compound treatment 0.246 0.0118 0.44 0.236 -0.00872 -0.4 0.0281 0.0473 3211901 TimTec1_007727 Clc1ccc(OCCCC(=O)NCc2ccncc2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P06 compound treatment 0.222 -0.0122 -0.45 0.213 -0.0317 -1.45 -1.3478 -0.8857 3086801 TimTec1_007728 CC(=O)Nc1ccc(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P07 compound treatment 0.235 8.06E-4 0.03 0.239 -0.00572 -0.26 -0.1641 -0.6221 3211960 TimTec1_007729 Cc1ccc(OCC(=O)n2cnnc2N)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P08 compound treatment 0.227 -0.00719 -0.27 0.23 -0.0147 -0.67 -0.6659 -0.9181 1516476 TimTec1_007730 CC(C)(C)Nc1ncnc2n(Cc3ccccc3)ncc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P09 compound treatment 0.228 -0.00619 -0.23 0.225 -0.0197 -0.9 -0.8015 -0.8599 3086802 TimTec1_007731 COc1ccccc1C(=O)OC2CCN(C)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P10 compound treatment 0.247 0.0128 0.48 0.239 -0.00572 -0.26 0.1515 0.2786 3086803 TimTec1_007732 Cc1sc2nc(oc(=O)c2c1C)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P11 compound treatment 0.228 -0.00619 -0.23 0.229 -0.0157 -0.72 -0.672 -0.889 1413821 TimTec1_007733 CCCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P12 compound treatment 0.22 -0.0142 -0.53 0.22 -0.0247 -1.13 -1.1738 -0.9397 3086804 TimTec1_007734 FC(F)(F)c1nn(CC(=O)N2CCCC2)c3CCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P13 compound treatment 0.226 -0.00819 -0.3 0.236 -0.00872 -0.4 -0.498 -0.9911 1351196 TimTec1_007735 COc1ccccc1NC(=O)CC2N(C(=O)c3ccccc3)c4ccccc4NC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P14 compound treatment 0.28 0.0458 1.7 0.289 0.0443 2.03 2.6382 0.9963 3086805 TimTec1_007736 Cc1cccc(Nc2nc(cs2)c3ccc(F)cc3)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P15 compound treatment 0.27 0.0358 1.33 0.251 0.00628 0.29 1.1449 0.8403 3211961 TimTec1_007737 O=C(C1CC1)c2cn(Cc3ccccc3)c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P16 compound treatment 0.226 -0.00819 -0.3 0.237 -0.00772 -0.35 -0.4656 -0.9973 3086806 TimTec1_007738 Cc1ccc(cc1)c2nn(CCC#N)cc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P17 compound treatment 0.248 0.0138 0.51 0.246 0.00128 0.06 0.4044 0.7825 3211962 TimTec1_007739 COc1cc(OC)c(cc1OC)C(=O)NCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P18 compound treatment 0.225 -0.00919 -0.34 0.219 -0.0257 -1.18 -1.0747 -0.8762 1878712 TimTec1_007740 CC1=C(C)CC(C(C1)C(=O)O)C(=O)N2CCN(Cc3ccccc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P19 compound treatment 0.254 0.0198 0.74 0.218 -0.0267 -1.22 -0.3443 -0.2411 1288850 TimTec1_007741 O=C(Nc1ccc2OCOc2c1)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P20 compound treatment 0.246 0.0118 0.44 0.201 -0.0437 -2.0 -1.1051 -0.5392 3211963 TimTec1_007742 Clc1ccc(NC(=O)NCC2CCCO2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P21 compound treatment 0.225 -0.00919 -0.34 0.217 -0.0277 -1.27 -1.1394 -0.8667 3086807 TimTec1_007743 CCCc1nc(Nc2nc3ccccc3o2)ncc1C(=O)OCC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P22 compound treatment 0.231 -0.00319 -0.12 0.227 -0.0177 -0.81 -0.6578 -0.8021 1454174 TimTec1_007744 O=C(Cn1cnc2ccccc2c1=O)OCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P23 mock treatment 0.214 -0.0202 -0.75 0.191 -0.0537 -2.46 -2.2705 -0.8828 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2084 P24 mock treatment 0.194 -0.0402 -1.5 0.184 -0.0607 -2.78 -3.0232 -0.9577 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A01 compound treatment 0.178 -0.0602 -2.24 0.169 -0.0668 -3.06 -3.7469 -0.9883 3086808 TimTec1_007745 CCC(=O)c1cc(c2nc3ccccc3n2C)n(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A02 compound treatment 0.19 -0.0482 -1.79 0.185 -0.0508 -2.33 -2.9133 -0.9918 3211964 TimTec1_007746 COC(=O)C1=C(C)OC(=C(C#N)C21C(=O)N(C)c3ccccc32)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A03 compound treatment 0.21 -0.0282 -1.05 0.212 -0.0238 -1.09 -1.5131 -0.9998 3211965 TimTec1_007747 OC(=O)C1C2OC3(CN(C(=O)C13)c4ccc(Cl)c(F)c4)C=C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A04 compound treatment 0.243 0.00477 0.18 0.218 -0.0178 -0.82 -0.4509 -0.5404 3086809 TimTec1_007748 CN1CCN(CC1)c2nc(NCC3CCCO3)c4ccccc4n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A05 compound treatment 0.224 -0.0142 -0.53 0.202 -0.0338 -1.55 -1.4687 -0.8978 3211966 TimTec1_007749 Cc1ccccc1c2nc3cc(NC(=O)C4CC4)ccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A06 compound treatment 0.215 -0.0232 -0.86 0.224 -0.0118 -0.54 -0.9931 -0.9745 3086810 TimTec1_007750 Oc1nc2ccccc2cc1c3noc(n3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A07 compound treatment 0.225 -0.0132 -0.49 0.201 -0.0348 -1.59 -1.4748 -0.8842 1670347 TimTec1_007751 CCOC(=O)c1cnc2c(Cl)cccc2c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A08 compound treatment 0.238 -2.26E-4 -0.01 0.211 -0.0248 -1.14 -0.8091 -0.7123 3211967 TimTec1_007752 Clc1ccccc1c2ccc(o2)C(=O)NCc3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A09 compound treatment 0.235 -0.00323 -0.12 0.238 0.00219 0.1 -0.0138 -0.0883 1861788 TimTec1_007753 O=C(COc1ccccc1)Nc2ccccc2N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A10 compound treatment 0.22 -0.0182 -0.68 0.213 -0.0228 -1.04 -1.2177 -0.9781 1428766 TimTec1_007754 COc1ccc2oc(=O)c(cc2c1)C(=O)N(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A11 compound treatment 0.214 -0.0242 -0.9 0.208 -0.0278 -1.27 -1.5374 -0.9857 3086811 TimTec1_007755 CCN(CC)C(=O)Cn1cc(C(=O)CC)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A12 compound treatment 0.224 -0.0142 -0.53 0.212 -0.0238 -1.09 -1.1449 -0.9449 3211968 TimTec1_007756 Cc1cc(C)n(n1)c2nc3ccccc3[nH]c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A13 compound treatment 0.2 -0.0382 -1.42 0.218 -0.0178 -0.82 -1.5819 -0.9652 3086812 TimTec1_007757 CCCC(=O)Nc1ccc2C(=O)OCc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A14 compound treatment 0.205 -0.0332 -1.24 0.212 -0.0238 -1.09 -1.6446 -0.998 1600399 TimTec1_007758 CC1CN(C)CC(C)C1(O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A15 compound treatment 0.249 0.0108 0.4 0.244 0.00819 0.38 0.5486 0.9995 1787715 TimTec1_007759 O=C(Cn1cc(C#N)c2ccccc12)N3CCc4ccccc4C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A16 compound treatment 0.275 0.0368 1.37 0.272 0.0362 1.66 2.139 0.9955 3086813 TimTec1_007760 COc1ccccc1NC(CC(=O)c2ccccc2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A17 compound treatment 0.202 -0.0362 -1.35 0.217 -0.0188 -0.86 -1.5617 -0.9766 3211969 TimTec1_007761 CCc1cc2c(ncnc2s1)N3CCN(CC3)c4nc(C)cc(C)n4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A18 compound treatment 0.212 -0.0262 -0.98 0.212 -0.0238 -1.09 -1.4605 -0.9985 1862419 TimTec1_007762 O=C(Cc1ccccc1)Nc2ccccc2N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A19 compound treatment 0.211 -0.0272 -1.01 0.223 -0.0128 -0.59 -1.1307 -0.9663 1358875 TimTec1_007763 CC1(C)C2(C)CCC1(CC2=O)C(=O)NC3CC(C)(C)NC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A20 compound treatment 0.235 -0.00323 -0.12 0.231 -0.00481 -0.22 -0.2405 -0.9593 1449265 TimTec1_007764 Cc1ccc(NC(=O)COC(=O)c2cccs2)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A21 compound treatment 0.295 0.0568 2.11 0.232 -0.00381 -0.17 1.37 0.6465 3211970 TimTec1_007765 Cc1cc(NC(=O)Cc2cccc3ccccc23)no1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A22 compound treatment 0.256 0.0178 0.66 0.253 0.0172 0.79 1.0241 0.9962 1377950 TimTec1_007766 Cc1cc(N)cc2nc([nH]c12)c3ccc(N)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A23 mock treatment 0.203 -0.0352 -1.31 0.199 -0.0368 -1.69 -2.1181 -0.9923 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 A24 mock treatment 0.169 -0.0692 -2.57 0.175 -0.0608 -2.78 -3.7894 -0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B01 compound treatment 0.212 -0.0262 -0.98 0.198 -0.0378 -1.73 -1.9138 -0.9632 1095008 TimTec1_007767 Cn1c(nc2c(=O)n(C)c(=O)[nH]c12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B02 compound treatment 0.298 0.0598 2.22 0.286 0.0502 2.3 3.1972 0.9999 3211971 TimTec1_007768 CC(C)(C)C(=O)COC(=O)c1cccc(NC(=O)c2ccco2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B03 compound treatment 0.278 0.0398 1.48 0.277 0.0412 1.89 2.3798 0.9928 3086814 TimTec1_007769 O=C(Cc1cccs1)Nc2nnc(Cc3ccccc3)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B04 compound treatment 0.254 0.0158 0.59 0.254 0.0182 0.83 1.0039 0.9853 3211972 TimTec1_007770 Cc1cc(nn1CC(=O)NCc2cccs2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B05 compound treatment 0.247 0.00877 0.33 0.247 0.0112 0.51 0.5932 0.9762 1280407 TimTec1_007771 Cc1ccccc1OCC(=O)Nc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B06 compound treatment 0.248 0.00977 0.36 0.247 0.0112 0.51 0.6195 0.9858 1150838 TimTec1_007772 CCc1cccc(C)c1NC(=O)COC(=O)C2CN(C(=O)C2)c3ccc(OC(C)C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B07 compound treatment 0.256 0.0178 0.66 0.257 0.0212 0.97 1.1536 0.9825 3086815 TimTec1_007773 O=C(NCCN1CCCCC1)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B08 compound treatment 0.266 0.0278 1.03 0.264 0.0282 1.29 1.6433 0.9939 3211973 TimTec1_007774 CCCNC(=O)C1CCN(CC1)C(=O)c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B09 compound treatment 0.262 0.0238 0.88 0.262 0.0262 1.2 1.4733 0.9888 1292787 TimTec1_007775 O=C(COc1ccccc1)N2CCN(Cc3ccccn3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B10 compound treatment 0.251 0.0128 0.48 0.252 0.0162 0.74 0.8603 0.9769 1281347 TimTec1_007776 COC(=O)Cn1cnc2sc(cc2c1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B11 compound treatment 0.256 0.0178 0.66 0.253 0.0172 0.79 1.0241 0.9962 3086816 TimTec1_007777 O=C(NCCC1=CCCCC1)c2cnsn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B12 compound treatment 0.258 0.0198 0.74 0.258 0.0222 1.02 1.2386 0.9874 1285189 TimTec1_007778 CCOC(=O)c1nc2sc3CC(C)CCc3c2c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B13 compound treatment 0.271 0.0328 1.22 0.275 0.0392 1.79 2.1309 0.9822 3211974 TimTec1_007779 Clc1ccc(CNc2ccc3OCCOc3c2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B14 compound treatment 0.264 0.0258 0.96 0.259 0.0232 1.06 1.4288 0.9987 1677544 TimTec1_007780 O=C(Cn1cnc2sc3CCCCc3c2c1=O)NCc4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B15 compound treatment 0.253 0.0148 0.55 0.251 0.0152 0.7 0.8805 0.9932 3211975 TimTec1_007781 CCCOC(=O)Cn1cnc2sc(C)c(C)c2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B16 compound treatment 0.26 0.0218 0.81 0.262 0.0262 1.2 1.4207 0.9817 3211976 TimTec1_007782 CCC(Oc1ccccc1)C(=O)NCc2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B17 compound treatment 0.308 0.0698 2.6 0.304 0.0682 3.12 4.043 0.9958 3086817 TimTec1_007783 COC(=O)c1cc(on1)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B18 compound treatment 0.259 0.0208 0.77 0.26 0.0242 1.11 1.3297 0.9845 1678690 TimTec1_007784 COc1ccc(cc1)c2csc3ncn(CC=C)c(=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B19 compound treatment 0.264 0.0258 0.96 0.264 0.0282 1.29 1.5907 0.9893 1600545 TimTec1_007785 COc1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B20 compound treatment 0.263 0.0248 0.92 0.253 0.0172 0.79 1.2082 0.9969 1255438 TimTec1_007786 Clc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B21 compound treatment 0.28 0.0418 1.55 0.276 0.0402 1.84 2.4 0.9965 3086818 TimTec1_007787 CCN1C=C(C(C(=C1)C(=O)OC)c2ccc(Cl)cc2)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B22 compound treatment 0.288 0.0498 1.85 0.292 0.0562 2.57 3.1284 0.987 3086862 TimTec1_007788 CCc1cccc(CC)c1NC(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B23 mock treatment 0.247 0.00877 0.33 0.252 0.0162 0.74 0.7551 0.9321 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 B24 mock treatment 0.221 -0.0172 -0.64 0.221 -0.0148 -0.68 -0.9324 -0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C01 compound treatment 0.205 -0.0332 -1.24 0.2 -0.0358 -1.64 -2.0332 -0.9903 1318228 TimTec1_007789 Cc1cc(C)c(NC(=O)c2ccncc2)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C02 compound treatment 0.24 0.00177 0.07 0.241 0.00519 0.24 0.2148 0.8704 3086863 TimTec1_007790 Clc1ccc(c2csc(Nc3ncccn3)n2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C03 compound treatment 0.245 0.00677 0.25 0.24 0.00419 0.19 0.3139 0.991 3086864 TimTec1_007791 CCCN1CC2(OC3C=C2)C(C3C(=O)O)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C04 compound treatment 0.26 0.0218 0.81 0.256 0.0202 0.92 1.2265 0.9978 3086865 TimTec1_007792 OCCNc1nc(nc2ccccc12)N3CCN(CC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C05 compound treatment 0.242 0.00377 0.14 0.241 0.00519 0.24 0.2674 0.9684 3086866 TimTec1_007793 CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cccs2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C06 compound treatment 0.257 0.0188 0.7 0.258 0.0222 1.02 1.2123 0.9832 3086867 TimTec1_007794 OC1=C(C(N(Cc2ccccc2)C1=O)c3cccnc3)C(=O)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C07 compound treatment 0.244 0.00577 0.21 0.242 0.00619 0.28 0.3524 0.9906 1136666 TimTec1_007795 O=C1OCCC1Sc2cccc3cccnc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C08 compound treatment 0.27 0.0318 1.18 0.269 0.0332 1.52 1.9104 0.9923 3212034 TimTec1_007796 CC(C)C(=O)Nc1nnc(s1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C09 compound treatment 0.275 0.0368 1.37 0.277 0.0412 1.89 2.3009 0.9876 3212035 TimTec1_007797 CCC(=O)N1CCN(CC1)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C10 compound treatment 0.259 0.0208 0.77 0.26 0.0242 1.11 1.3297 0.9845 3086868 TimTec1_007798 COc1ccc2oc(=O)c(cc2c1)C(=O)NC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C11 compound treatment 0.239 7.74E-4 0.03 0.238 0.00219 0.1 0.0914 0.8746 3212036 TimTec1_007799 Cc1cc(C)c(C(=O)N)c(NCCc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C12 compound treatment 0.25 0.0118 0.44 0.25 0.0142 0.65 0.7692 0.9815 1098140 TimTec1_007800 O=S(=O)(N1CN2CCN(C2)C1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C13 compound treatment 0.252 0.0138 0.51 0.248 0.0122 0.56 0.7571 0.9991 3212037 TimTec1_007801 Clc1ccccc1NC(=O)Cn2c(=O)oc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C14 compound treatment 0.241 0.00277 0.1 0.24 0.00419 0.19 0.2087 0.9576 1203605 TimTec1_007802 CCC(=O)OC1(CC(C)N(C)CC1C)c2cccc(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C15 compound treatment 0.241 0.00277 0.1 0.24 0.00419 0.19 0.2087 0.9576 3212038 TimTec1_007803 COC(=O)Cn1cc(C#N)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C16 compound treatment 0.303 0.0648 2.41 0.303 0.0672 3.08 3.8791 0.9927 3086869 TimTec1_007804 CC(C)C(=O)Nc1ccc2nn(nc2c1)c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C17 compound treatment 0.25 0.0118 0.44 0.248 0.0122 0.56 0.7045 0.9928 1546820 TimTec1_007805 O=C(N1CCN(CC1)C2CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C18 compound treatment 0.261 0.0228 0.85 0.261 0.0252 1.15 1.4147 0.9885 1186833 TimTec1_007806 NC(=O)c1c(NC(=O)c2ccccc2)sc3CCCc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C19 compound treatment 0.241 0.00277 0.1 0.239 0.00319 0.15 0.1764 0.9854 1584588 TimTec1_007807 CC1CCCN(C1)C(=O)C2(CCC3(C)C(=O)C2)C3(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C20 compound treatment 0.241 0.00277 0.1 0.241 0.00519 0.24 0.2411 0.9301 1147418 TimTec1_007808 Clc1cc(Cl)cc(NC(=O)COC(=O)C2CCCO2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C21 compound treatment 0.244 0.00577 0.21 0.242 0.00619 0.28 0.3524 0.9906 1448442 TimTec1_007809 COc1ccc(CNCC2COc3ccccc3O2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C22 compound treatment 0.243 0.00477 0.18 0.243 0.00719 0.33 0.3585 0.958 1413356 TimTec1_007810 OC(=O)c1ccc(cc1O)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C23 mock treatment 0.24 0.00177 0.07 0.241 0.00519 0.24 0.2148 0.8704 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 C24 mock treatment 0.22 -0.0182 -0.68 0.23 -0.00581 -0.27 -0.6673 -0.9165 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D01 compound treatment 0.242 0.00377 0.14 0.244 0.00819 0.38 0.3645 0.9101 1452042 TimTec1_007811 Clc1cccc(OCCN2CCCC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D02 compound treatment 0.248 0.00977 0.36 0.244 0.00819 0.38 0.5223 0.9999 3212039 TimTec1_007812 COc1ccc(cc1)N2CC(CC2=O)C(=O)OC(C)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D03 compound treatment 0.252 0.0138 0.51 0.253 0.0172 0.79 0.9189 0.9783 3212040 TimTec1_007813 O=C(CS(=O)(=O)Cc1ccccc1)N2CCCc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D04 compound treatment 0.245 0.00677 0.25 0.245 0.00919 0.42 0.4758 0.9699 1438278 TimTec1_007814 CN(C1CCCCC1)C(=O)c2cc3nc(cc(C)n3n2)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D05 compound treatment 0.245 0.00677 0.25 0.245 0.00919 0.42 0.4758 0.9699 3212041 TimTec1_007815 O=C(NCCC1=CCCCC1)C2COc3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D06 compound treatment 0.251 0.0128 0.48 0.25 0.0142 0.65 0.7955 0.9882 3212042 TimTec1_007816 Cc1cccc(NC(=O)C2CN(C(=O)C2)c3ccccc3)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D07 compound treatment 0.27 0.0318 1.18 0.269 0.0332 1.52 1.9104 0.9923 3086870 TimTec1_007817 CC(=O)Nc1ccc(cc1)c2nc3ccccc3c(=O)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D08 compound treatment 0.269 0.0308 1.14 0.268 0.0322 1.47 1.8517 0.9922 1679774 TimTec1_007818 O=C(Nc1ccc2oc(nc2c1)c3ccncc3)c4ccco4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D09 compound treatment 0.254 0.0158 0.59 0.255 0.0192 0.88 1.0363 0.9807 3086871 TimTec1_007819 c1nnnn1c2ccccc2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D10 compound treatment 0.249 0.0108 0.4 0.248 0.0122 0.56 0.6782 0.9868 1121757 TimTec1_007820 CC(C)OC(=O)C(C)n1cnc2sc(cc2c1=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D11 compound treatment 0.258 0.0198 0.74 0.255 0.0192 0.88 1.1415 0.9961 3086872 TimTec1_007821 COC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D12 compound treatment 0.25 0.0118 0.44 0.249 0.0132 0.6 0.7368 0.9875 3212043 TimTec1_007822 Clc1ccc(cc1)c2csc3ncn(CC=C)c(=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D13 compound treatment 0.261 0.0228 0.85 0.262 0.0262 1.2 1.447 0.9855 3086873 TimTec1_007823 COc1cc(CNc2ccc3OCCOc3c2)ccc1OCC(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D14 compound treatment 0.274 0.0358 1.33 0.275 0.0392 1.79 2.2098 0.9892 1309609 TimTec1_007824 Cc1sc2ncn(CC(=O)Nc3ccccc3)c(=O)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D15 compound treatment 0.254 0.0158 0.59 0.254 0.0182 0.83 1.0039 0.9853 1697737 TimTec1_007825 O=c1n(CCc2ccccc2)cnc3sc4CCCCc4c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D16 compound treatment 0.256 0.0178 0.66 0.258 0.0222 1.02 1.186 0.9783 1880627 TimTec1_007826 COc1ccc(NC(=O)C2CCCO2)c(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D17 compound treatment 0.268 0.0298 1.11 0.266 0.0302 1.38 1.7606 0.994 3212044 TimTec1_007827 OC1=C(C(N(CCc2c[nH]c3ccccc23)C1=O)c4ccccn4)C(=O)c5ccccc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D18 compound treatment 0.329 0.0908 3.38 0.331 0.0952 4.36 5.4695 0.992 3086874 TimTec1_007828 Cc1ccc(cc1C)c2csc3nc[nH]c(=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D19 compound treatment 0.255 0.0168 0.62 0.253 0.0172 0.79 0.9978 0.9934 1471052 TimTec1_007829 CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D20 compound treatment 0.261 0.0228 0.85 0.264 0.0282 1.29 1.5118 0.9791 3086875 TimTec1_007830 Nc1c(c2nc3ccccc3s2)c4nc(C#N)c(C#N)nc4n1c5ccc(Cl)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D21 compound treatment 0.25 0.0118 0.44 0.249 0.0132 0.6 0.7368 0.9875 3212045 TimTec1_007831 COC(=O)C1=CN(C=C(C1c2cccs2)C(=O)OC)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D22 compound treatment 0.246 0.00777 0.29 0.247 0.0112 0.51 0.5669 0.9633 3212046 TimTec1_007832 CCCNC(=O)c1ccccc1NC(=O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D23 mock treatment 0.248 0.00977 0.36 0.248 0.0122 0.56 0.6519 0.9784 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 D24 mock treatment 0.234 -0.00423 -0.16 0.233 -0.00281 -0.13 -0.202 -0.995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E01 compound treatment 0.249 0.0108 0.4 0.251 0.0152 0.7 0.7753 0.9657 3086876 TimTec1_007833 O=C(CSc1nncc2ccccc12)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E02 compound treatment 0.282 0.0438 1.63 0.28 0.0442 2.02 2.5821 0.9942 3212047 TimTec1_007834 C(Cc1ccccc1)Nc2nc(cs2)c3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E03 compound treatment 0.254 0.0158 0.59 0.252 0.0162 0.74 0.9392 0.9933 1261375 TimTec1_007835 CC1CCCCN1C(=O)c2c(C)onc2c3ccccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E04 compound treatment 0.269 0.0308 1.14 0.266 0.0302 1.38 1.7869 0.9956 3212048 TimTec1_007836 Cc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E05 compound treatment 0.257 0.0188 0.7 0.253 0.0172 0.79 1.0504 0.9982 3086877 TimTec1_007837 OC(=O)CCC(=O)N1CCNC(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E06 compound treatment 0.262 0.0238 0.88 0.261 0.0252 1.15 1.441 0.9914 3212049 TimTec1_007838 C(Cn1c(nc2ccccc12)N3CCCC3)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E07 compound treatment 0.263 0.0248 0.92 0.262 0.0262 1.2 1.4996 0.9915 3212050 TimTec1_007839 COc1ccccc1NC(=O)CCSc2cccc3cccnc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E08 compound treatment 0.266 0.0278 1.03 0.264 0.0282 1.29 1.6433 0.9939 1217846 TimTec1_007840 COc1ccccc1C(CC(=O)O)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E09 compound treatment 0.257 0.0188 0.7 0.256 0.0202 0.92 1.1476 0.9904 3212051 TimTec1_007841 CC(Sc1ccc(C)cc1)C(=O)N2CCC(CC2)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E10 compound treatment 0.264 0.0258 0.96 0.262 0.0262 1.2 1.5259 0.9938 1340156 TimTec1_007842 CC(OC(=O)c1cc(C)nc2ccccc12)C(=O)c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E11 compound treatment 0.35 0.112 4.16 0.334 0.0982 4.5 6.1189 0.9992 3212052 TimTec1_007843 CCOc1ccc(cc1)C2C3=C(CCCC3=O)N(CC)C4=C2C(=O)CCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E12 compound treatment 0.262 0.0238 0.88 0.263 0.0272 1.25 1.5057 0.9859 3086878 TimTec1_007844 CC(=O)N1CCn2c1nc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E13 compound treatment 0.262 0.0238 0.88 0.261 0.0252 1.15 1.441 0.9914 3212053 TimTec1_007845 Cc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E14 compound treatment 0.254 0.0158 0.59 0.253 0.0172 0.79 0.9715 0.9895 1631753 TimTec1_007846 CC(C)N(C(=O)Cn1nnc2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E15 compound treatment 0.258 0.0198 0.74 0.257 0.0212 0.97 1.2062 0.9907 3212054 TimTec1_007847 CN(C)C(=O)C1=C(C)NC(=O)NC1c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E16 compound treatment 0.257 0.0188 0.7 0.259 0.0232 1.06 1.2447 0.9793 3212055 TimTec1_007848 O=C(Nc1ccc2oc(nc2c1)c3cccnc3)c4cccs4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E17 compound treatment 0.266 0.0278 1.03 0.263 0.0272 1.25 1.6109 0.9957 1557418 TimTec1_007849 CN(CC(=O)O)S(=O)(=O)c1ccc2oc3ccccc3c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E18 compound treatment 0.264 0.0258 0.96 0.262 0.0262 1.2 1.5259 0.9938 3212115 TimTec1_007850 CC(c1ccccc1F)n2cc(nn2)C(=O)NCCCn3ccc(C)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E19 compound treatment 0.255 0.0168 0.62 0.254 0.0182 0.83 1.0302 0.9899 3086879 TimTec1_007851 Cc1ccc(cc1)c2csc(CC(=O)N)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E20 compound treatment 0.32 0.0818 3.04 0.309 0.0732 3.35 4.5205 0.9988 3212116 TimTec1_007852 NC1=C(C(=O)CN1c2ccccc2)c3nc4ccccc4s3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E21 compound treatment 0.242 0.00377 0.14 0.239 0.00319 0.15 0.2027 0.9998 3086880 TimTec1_007853 FC(F)(F)c1cccc(NC(=O)CC2COc3ccccc3O2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E22 compound treatment 0.273 0.0348 1.29 0.27 0.0342 1.57 2.0217 0.9955 3212117 TimTec1_007854 Cc1cc(Nc2ccc(O)cc2)c3ccccc3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E23 mock treatment 0.251 0.0128 0.48 0.252 0.0162 0.74 0.8603 0.9769 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 E24 mock treatment 0.229 -0.00923 -0.34 0.237 0.00119 0.05 -0.204 -0.5871 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F01 compound treatment 0.259 0.0208 0.77 0.259 0.0232 1.06 1.2973 0.9878 3212118 TimTec1_007855 Fc1cnc(Nc2ccc3OCOc3c2)nc1Nc4ccc5OCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F02 compound treatment 0.256 0.0178 0.66 0.253 0.0172 0.79 1.0241 0.9962 1530427 TimTec1_007856 O=S1(=O)CC(C(C1)N2CCCCC2)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F03 compound treatment 0.257 0.0188 0.7 0.257 0.0212 0.97 1.1799 0.987 3212119 TimTec1_007857 O=C(CS(=O)(=O)Cc1ccccc1)Nc2ccc3OCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F04 compound treatment 0.264 0.0258 0.96 0.26 0.0242 1.11 1.4612 0.9974 1445255 TimTec1_007858 Cc1sc2ncn(Cc3ccccc3C)c(=O)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F05 compound treatment 0.254 0.0158 0.59 0.253 0.0172 0.79 0.9715 0.9895 3212120 TimTec1_007859 CC(C)(C)c1ccc(cc1)C(=O)NCCCn2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F06 compound treatment 0.264 0.0258 0.96 0.263 0.0272 1.25 1.5583 0.9917 3086881 TimTec1_007860 O=C(Nc1nc2ccccc2s1)C3CN(C(=O)C3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F07 compound treatment 0.277 0.0388 1.44 0.275 0.0392 1.79 2.2887 0.9941 1530603 TimTec1_007861 COc1ccc(cc1)c2nc3cc(Cl)ccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F08 compound treatment 0.265 0.0268 1.0 0.265 0.0292 1.34 1.6494 0.9895 3212121 TimTec1_007862 CCN1CCN(CC1)c2ccc(NC(=O)C(C)C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F09 compound treatment 0.275 0.0368 1.37 0.27 0.0342 1.57 2.0743 0.9977 3086882 TimTec1_007863 Cc1cc(NC(=O)COC(=O)c2ccccn2)ccc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F10 compound treatment 0.256 0.0178 0.66 0.255 0.0192 0.88 1.0889 0.9902 1672981 TimTec1_007864 CCOC(=O)c1sc2ncn(C(C)C(=O)OCc3ccccc3)c(=O)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F11 compound treatment 0.254 0.0158 0.59 0.254 0.0182 0.83 1.0039 0.9853 3086883 TimTec1_007865 CN1CCCC(C1)OC(=O)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F12 compound treatment 0.262 0.0238 0.88 0.26 0.0242 1.11 1.4086 0.9938 3212122 TimTec1_007866 NC(=O)c1cnn2c(cc(nc12)c3ccc(F)cc3)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F13 compound treatment 0.268 0.0298 1.11 0.265 0.0292 1.34 1.7283 0.9956 1446085 TimTec1_007867 O=C(CCc1ccccc1)NCCc2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F14 compound treatment 0.252 0.0138 0.51 0.25 0.0142 0.65 0.8218 0.9931 3212123 TimTec1_007868 CCOC(=O)c1cnc2ccc(F)cc2c1NCc3cccnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F15 compound treatment 0.26 0.0218 0.81 0.26 0.0242 1.11 1.356 0.9882 1185524 TimTec1_007869 COc1ccc(CCNc2nccc(=O)[nH]2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F16 compound treatment 0.261 0.0228 0.85 0.263 0.0272 1.25 1.4794 0.9824 3086884 TimTec1_007870 O=C(Nc1nncs1)C2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F17 compound treatment 0.274 0.0358 1.33 0.273 0.0372 1.7 2.1451 0.9926 3086934 TimTec1_007871 Nc1cc(ccc1NCC2CCCO2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F18 compound treatment 0.265 0.0268 1.0 0.263 0.0272 1.25 1.5846 0.9939 1657481 TimTec1_007872 Cc1sc2ncnc(NCC(=O)O)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F19 compound treatment 0.265 0.0268 1.0 0.265 0.0292 1.34 1.6494 0.9895 1451450 TimTec1_007873 CC1CC(Nc2ccc(C)cc2)c3ccc(C)cc3N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F20 compound treatment 0.26 0.0218 0.81 0.258 0.0222 1.02 1.2912 0.9937 3086935 TimTec1_007874 COc1ccc2ncc(C(=O)NC3CCCC3)c(Cl)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F21 compound treatment 0.254 0.0158 0.59 0.255 0.0192 0.88 1.0363 0.9807 3086936 TimTec1_007875 CC1=C(C(C2=C(CCCC2=O)N1)c3ccc(Br)cc3)C(=O)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F22 compound treatment 0.255 0.0168 0.62 0.256 0.0202 0.92 1.095 0.9817 3086937 TimTec1_007876 CCOC(=O)c1cc(CN2CCOCC2)c(C)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F23 mock treatment 0.255 0.0168 0.62 0.255 0.0192 0.88 1.0626 0.9859 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 F24 mock treatment 0.247 0.00877 0.33 0.237 0.00119 0.05 0.2694 0.8142 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G01 compound treatment 0.225 -0.0132 -0.49 0.245 0.00919 0.42 -0.0502 -0.0775 1620505 TimTec1_007877 CCN1CC(C)C(O)(CC1C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G02 compound treatment 0.293 0.0548 2.04 0.289 0.0532 2.44 3.1628 0.9961 3086938 TimTec1_007878 CN(c1nc(cs1)c2cccnc2)c3ccc(O)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G03 compound treatment 0.245 0.00677 0.25 0.245 0.00919 0.42 0.4758 0.9699 1423365 TimTec1_007879 COc1ccc(CC(=O)Nc2nccs2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G04 compound treatment 0.255 0.0168 0.62 0.259 0.0232 1.06 1.1921 0.9679 1877456 TimTec1_007880 COc1cc(OC)c(cc1OC)C(=O)N2CCN(CC2)c3ccccc3F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G05 compound treatment 0.249 0.0108 0.4 0.248 0.0122 0.56 0.6782 0.9868 3086939 TimTec1_007881 CCOC(=O)Cn1cnc2ccccc2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G06 compound treatment 0.255 0.0168 0.62 0.252 0.0162 0.74 0.9655 0.9963 3212124 TimTec1_007882 CC(c1ccc(C)cc1)n2cc(nn2)C(=O)NCC3CCCO3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G07 compound treatment 0.254 0.0158 0.59 0.257 0.0212 0.97 1.101 0.971 3086940 TimTec1_007883 Cn1nnc2cc(ccc12)C(=O)NC3CC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G08 compound treatment 0.261 0.0228 0.85 0.261 0.0252 1.15 1.4147 0.9885 3212125 TimTec1_007884 CC(C(=O)NCCN1CCOCC1)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G09 compound treatment 0.25 0.0118 0.44 0.25 0.0142 0.65 0.7692 0.9815 3086941 TimTec1_007885 CC(Sc1ccc(Cl)cc1)C(=O)NCc2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G10 compound treatment 0.261 0.0228 0.85 0.262 0.0262 1.2 1.447 0.9855 1356547 TimTec1_007886 CC(OC(=O)c1ccc2ccccc2n1)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G11 compound treatment 0.291 0.0528 1.96 0.297 0.0612 2.8 3.3692 0.9849 3086942 TimTec1_007887 O=C(Cn1c(=O)sc2ccccc12)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G12 compound treatment 0.229 -0.00923 -0.34 0.227 -0.00881 -0.4 -0.5278 -0.9968 3212126 TimTec1_007888 OC(=O)CCc1c(cc2ccccn12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G13 compound treatment 0.252 0.0138 0.51 0.252 0.0162 0.74 0.8866 0.9837 3086943 TimTec1_007889 Clc1ccc(cc1)C2(CCCC2)C(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G14 compound treatment 0.259 0.0208 0.77 0.259 0.0232 1.06 1.2973 0.9878 3212127 TimTec1_007890 O(c1ccccc1)c2ccc(cc2)n3cnnn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G15 compound treatment 0.248 0.00977 0.36 0.25 0.0142 0.65 0.7166 0.9623 3212128 TimTec1_007891 CCCNC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G16 compound treatment 0.267 0.0288 1.07 0.273 0.0372 1.7 1.961 0.9749 3086944 TimTec1_007892 CC(C)C(=O)Nc1ccc(cc1)c2nc3cc(Cl)ccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G17 compound treatment 0.292 0.0538 2.0 0.295 0.0592 2.71 3.3308 0.9888 1141486 TimTec1_007893 COc1ccc(cc1)c2csc(n2)C(=C3CCCCC3)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G18 compound treatment 0.255 0.0168 0.62 0.257 0.0212 0.97 1.1273 0.9772 3086945 TimTec1_007894 CC(c1ccc(F)cc1)n2cc(nn2)C(=O)NCCN(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G19 compound treatment 0.254 0.0158 0.59 0.251 0.0152 0.7 0.9068 0.9964 1848000 TimTec1_007895 Cc1cccc(NC(=O)CSc2ccccn2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G20 compound treatment 0.232 -0.00623 -0.23 0.231 -0.00481 -0.22 -0.3194 -0.9997 1391065 TimTec1_007896 OC(=O)C1CCCN1c2ncnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G21 compound treatment 0.269 0.0308 1.14 0.266 0.0302 1.38 1.7869 0.9956 3086946 TimTec1_007897 CCOc1ccc(cc1)c2cnc(N)s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G22 compound treatment 0.272 0.0338 1.26 0.283 0.0472 2.16 2.4162 0.9667 1231110 TimTec1_007898 Clc1ccc(cc1)C(=O)Cn2cnc3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G23 mock treatment 0.253 0.0148 0.55 0.249 0.0132 0.6 0.8157 0.9989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 G24 mock treatment 0.229 -0.00923 -0.34 0.226 -0.00981 -0.45 -0.5601 -0.9912 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H01 compound treatment 0.296 0.0578 2.15 0.299 0.0632 2.89 3.5655 0.9893 3212129 TimTec1_007899 Oc1cccc(Nc2nc(NCC3CCCO3)c4ccccc4n2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H02 compound treatment 0.252 0.0138 0.51 0.25 0.0142 0.65 0.8218 0.9931 1270407 TimTec1_007900 CN(C1CCS(=O)(=O)C1)C(=O)c2ccccc2C(=O)N(C)C3CCS(=O)(=O)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H03 compound treatment 0.256 0.0178 0.66 0.256 0.0202 0.92 1.1213 0.9865 3086947 TimTec1_007901 CCOC(=O)c1ccc2nc(NC(=O)COC(=O)c3ccnn3C)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H04 compound treatment 0.26 0.0218 0.81 0.258 0.0222 1.02 1.2912 0.9937 1714833 TimTec1_007902 COC(=O)c1sc2ncn(Cc3ccc(C)cc3)c(=O)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H05 compound treatment 0.25 0.0118 0.44 0.25 0.0142 0.65 0.7692 0.9815 1510758 TimTec1_007903 Fc1cccc(c1)C(=O)OCCN2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H06 compound treatment 0.322 0.0838 3.12 0.317 0.0812 3.72 4.8321 0.9961 1201896 TimTec1_007904 COc1cccc(c1)C2C3=C(CC(C)(C)CC3=O)NC4=C2C(=O)CC(C)(C)C4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H07 compound treatment 0.286 0.0478 1.78 0.29 0.0542 2.48 3.0111 0.9866 1221015 TimTec1_007905 Clc1ccc(SCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H08 compound treatment 0.257 0.0188 0.7 0.256 0.0202 0.92 1.1476 0.9904 3212130 TimTec1_007906 COc1ccc(NC(=O)c2ccco2)cc1NC(=O)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H09 compound treatment 0.267 0.0288 1.07 0.266 0.0302 1.38 1.7343 0.992 3212131 TimTec1_007907 COC(=O)c1c(C)n(Cc2ccccc2)c3ccc(O)cc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H10 compound treatment 0.253 0.0148 0.55 0.253 0.0172 0.79 0.9452 0.9846 1197980 TimTec1_007908 CC(C(=O)O)n1cnc2sc(C)c(C)c2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H11 compound treatment 0.316 0.0778 2.89 0.314 0.0782 3.58 4.5772 0.9944 3212132 TimTec1_007909 Cn1c(nc2cc(N)ccc12)c3ccc4nc([nH]c4c3)c5ccc(N)cc5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H12 compound treatment 0.252 0.0138 0.51 0.255 0.0192 0.88 0.9837 0.967 3086948 TimTec1_007910 OC(=O)CCCn1nc(c2CCCCCc21)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H13 compound treatment 0.329 0.0908 3.38 0.314 0.0782 3.58 4.9191 0.9996 1451319 TimTec1_007911 NC(=O)c1cc(sc1NC(=O)c2ccco2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H14 compound treatment 0.255 0.0168 0.62 0.257 0.0212 0.97 1.1273 0.9772 3086949 TimTec1_007912 CC1=C(C(c2cccnc2)n3nnnc3N1)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H15 compound treatment 0.258 0.0198 0.74 0.256 0.0202 0.92 1.1739 0.9936 1397485 TimTec1_007913 CC1CN(Cc2ccc(C#N)cc2Cl)CC(C)O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H16 compound treatment 0.255 0.0168 0.62 0.255 0.0192 0.88 1.0626 0.9859 3086950 TimTec1_007914 Cc1nn(c2ccc(C)c(C)c2)c3oc(=O)cc(C)c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H17 compound treatment 0.259 0.0208 0.77 0.26 0.0242 1.11 1.3297 0.9845 3212198 TimTec1_007915 Clc1ccc(cc1)N2C(=O)CC(SCc3nc4ccccc4[nH]3)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H18 compound treatment 0.254 0.0158 0.59 0.25 0.0142 0.65 0.8744 0.9987 1414950 TimTec1_007916 CCc1ccc(cc1)c2csc3ncn(CC(=O)N)c(=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H19 compound treatment 0.254 0.0158 0.59 0.253 0.0172 0.79 0.9715 0.9895 1788367 TimTec1_007917 Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)n3cccc3)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H20 compound treatment 0.253 0.0148 0.55 0.257 0.0212 0.97 1.0747 0.9637 3212199 TimTec1_007918 COc1ccc2ncc(C(=O)N3CCOCC3)c(Cl)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H21 compound treatment 0.256 0.0178 0.66 0.253 0.0172 0.79 1.0241 0.9962 3086951 TimTec1_007919 OC(=O)C1CC(=O)N=C(Nc2nc3ccccc3s2)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H22 compound treatment 0.251 0.0128 0.48 0.25 0.0142 0.65 0.7955 0.9882 3212200 TimTec1_007920 CC(C)(C)NC(=O)c1ccc2snnc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H23 mock treatment 0.252 0.0138 0.51 0.25 0.0142 0.65 0.8218 0.9931 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 H24 mock treatment 0.248 0.00977 0.36 0.223 -0.0128 -0.59 -0.1576 -0.2284 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I01 compound treatment 0.242 0.00377 0.14 0.246 0.0102 0.47 0.4293 0.8808 3086952 TimTec1_007921 CC1CN(Cc2ccccc2)C(C)CC1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I02 compound treatment 0.256 0.0178 0.66 0.259 0.0232 1.06 1.2184 0.974 1162910 TimTec1_007922 CNC(=O)c1c(O)c2cccc3CCCn(c1=O)c32 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I03 compound treatment 0.256 0.0178 0.66 0.256 0.0202 0.92 1.1213 0.9865 1008293 TimTec1_007923 CCN(CC)C(=O)c1ccc2OCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I04 compound treatment 0.261 0.0228 0.85 0.26 0.0242 1.11 1.3823 0.9912 1846984 TimTec1_007924 CCc1nnc(NC(=O)c2sc3nc4CCCCc4cc3c2N)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I05 compound treatment 0.238 -2.26E-4 -0.01 0.236 1.94E-4 0.01 3.0E-4 0.0268 1303764 TimTec1_007925 Brc1ccc2ncnc(NCC3CCCO3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I06 compound treatment 0.254 0.0158 0.59 0.251 0.0152 0.7 0.9068 0.9964 3086953 TimTec1_007926 CC(c1ccc(C)cc1)n2cc(nn2)C(=O)NCc3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I07 compound treatment 0.252 0.0138 0.51 0.255 0.0192 0.88 0.9837 0.967 3212201 TimTec1_007927 Cn1nnc2cc(ccc12)C(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I08 compound treatment 0.263 0.0248 0.92 0.263 0.0272 1.25 1.532 0.989 3212202 TimTec1_007928 CC(C(=O)NCCCn1ccnc1)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I09 compound treatment 0.275 0.0368 1.37 0.276 0.0402 1.84 2.2685 0.9893 3086954 TimTec1_007929 CCC(=O)c1cn(CC(=O)NC2CCCCC2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I10 compound treatment 0.257 0.0188 0.7 0.257 0.0212 0.97 1.1799 0.987 1690696 TimTec1_007930 COc1ccc2oc(=O)c(cc2c1)C(=O)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I11 compound treatment 0.301 0.0628 2.33 0.304 0.0682 3.12 3.8589 0.9897 3086955 TimTec1_007931 O=S1(=O)N=C(Nc2nc(cs2)c3ccccc3)c4ccccc41 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I12 compound treatment 0.257 0.0188 0.7 0.257 0.0212 0.97 1.1799 0.987 3212203 TimTec1_007932 C(c1ccccc1)n2c(nc3ccccc23)C4CC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I13 compound treatment 0.256 0.0178 0.66 0.26 0.0242 1.11 1.2508 0.9696 1152223 TimTec1_007933 COc1ccc(NC(=O)c2ccco2)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I14 compound treatment 0.257 0.0188 0.7 0.258 0.0222 1.02 1.2123 0.9832 3212204 TimTec1_007934 CCOC(=O)C1=C(C)N(CC=C)C(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I15 compound treatment 0.254 0.0158 0.59 0.251 0.0152 0.7 0.9068 0.9964 3212205 TimTec1_007935 COc1cc(C#N)ccc1OCc2nc(no2)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I16 compound treatment 0.267 0.0288 1.07 0.259 0.0232 1.06 1.5077 1.0 3086956 TimTec1_007936 CCC(=O)Nc1ccc(cc1)c2cc3ccccc3oc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I17 compound treatment 0.266 0.0278 1.03 0.267 0.0312 1.43 1.7404 0.9874 1481021 TimTec1_007937 CC1(C)C2CCC(C2)(C(=O)N3CCOCC3)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I18 compound treatment 0.253 0.0148 0.55 0.251 0.0152 0.7 0.8805 0.9932 1184905 TimTec1_007938 COC(=O)c1ccc(Nc2ncnc3ccccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I19 compound treatment 0.288 0.0498 1.85 0.294 0.0582 2.66 3.1932 0.9842 1216188 TimTec1_007939 CC(C)c1cccc(C(C)C)c1NC(=O)Cc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I20 compound treatment 0.269 0.0308 1.14 0.267 0.0312 1.43 1.8193 0.994 3212206 TimTec1_007940 O=C(OCCNc1nc(nc2ccccc12)c3ccccc3)c4ccncc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I21 compound treatment 0.26 0.0218 0.81 0.259 0.0232 1.06 1.3236 0.9911 3086957 TimTec1_007941 CC(C)NC(=O)C1(CCOCC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I22 compound treatment 0.254 0.0158 0.59 0.255 0.0192 0.88 1.0363 0.9807 3212207 TimTec1_007942 CC(c1ccccc1)n2cnc3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I23 mock treatment 0.259 0.0208 0.77 0.256 0.0202 0.92 1.2002 0.996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 I24 mock treatment 0.246 0.00777 0.29 0.221 -0.0148 -0.68 -0.2749 -0.373 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J01 compound treatment 0.238 -2.26E-4 -0.01 0.249 0.0132 0.6 0.4212 0.6972 3086958 TimTec1_007943 CC1CCc2cc(F)cc3c(O)c(C(=O)Nc4ccccn4)c(=O)n1c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J02 compound treatment 0.244 0.00577 0.21 0.246 0.0102 0.47 0.4819 0.9379 1219265 TimTec1_007944 NC(=O)Cc1cc2ccccc2n1Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J03 compound treatment 0.247 0.00877 0.33 0.252 0.0162 0.74 0.7551 0.9321 1539977 TimTec1_007945 COc1ccc(NC2CS(=O)(=O)CC2NCc3ccco3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J04 compound treatment 0.245 0.00677 0.25 0.255 0.0192 0.88 0.7996 0.8746 1153064 TimTec1_007946 CCC(C(=O)OC)n1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J05 compound treatment 0.253 0.0148 0.55 0.252 0.0162 0.74 0.9129 0.9891 3212208 TimTec1_007947 COc1ccc(cc1)C(=O)OC2CCN(C)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J06 compound treatment 0.254 0.0158 0.59 0.253 0.0172 0.79 0.9715 0.9895 3086959 TimTec1_007948 COC(=O)c1sc(NC(=O)c2ccccc2)c(C#N)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J07 compound treatment 0.266 0.0278 1.03 0.265 0.0292 1.34 1.6757 0.9919 1262960 TimTec1_007949 COc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J08 compound treatment 0.256 0.0178 0.66 0.256 0.0202 0.92 1.1213 0.9865 3212209 TimTec1_007950 CCc1ccc(cc1)C(=O)Nc2nnn(CC)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J09 compound treatment 0.255 0.0168 0.62 0.253 0.0172 0.79 0.9978 0.9934 3086960 TimTec1_007951 Cc1cc(N)n2nc(cc2n1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J10 compound treatment 0.27 0.0318 1.18 0.275 0.0392 1.79 2.1046 0.9795 1408804 TimTec1_007952 NC(=O)Cn1cnc2sc3CCCc3c2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J11 compound treatment 0.26 0.0218 0.81 0.254 0.0182 0.83 1.1617 0.9999 3086961 TimTec1_007953 COc1ccc(OC2C(N(Cc3ccc4OCOc4c3)C2=O)c5cccs5)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J12 compound treatment 0.258 0.0198 0.74 0.256 0.0202 0.92 1.1739 0.9936 3087005 TimTec1_007954 C(Nc1ccccn1)c2cccc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J13 compound treatment 0.266 0.0278 1.03 0.264 0.0282 1.29 1.6433 0.9939 1398714 TimTec1_007955 CCOc1ccc(cc1)c2csc(NC(=O)CC)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J14 compound treatment 0.248 0.00977 0.36 0.247 0.0112 0.51 0.6195 0.9858 3087006 TimTec1_007956 Clc1ccc(CC(=O)NCCCn2ccnc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J15 compound treatment 0.254 0.0158 0.59 0.251 0.0152 0.7 0.9068 0.9964 3087007 TimTec1_007957 CC1(CC1)c2ccccc2NC(=O)c3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J16 compound treatment 0.254 0.0158 0.59 0.253 0.0172 0.79 0.9715 0.9895 3087008 TimTec1_007958 C(N1CCCCC1)c2cn3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J17 compound treatment 0.259 0.0208 0.77 0.258 0.0222 1.02 1.2649 0.9909 1535568 TimTec1_007959 COc1ccccc1OCc2nc(no2)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J18 compound treatment 0.265 0.0268 1.0 0.258 0.0222 1.02 1.4227 0.9999 1410331 TimTec1_007960 COc1ccc(CCN2CC(=O)C(=C2N)c3nc4ccccc4s3)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J19 compound treatment 0.259 0.0208 0.77 0.258 0.0222 1.02 1.2649 0.9909 3087009 TimTec1_007961 Cc1ccc(O)c(NC(=O)c2cccs2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J20 compound treatment 0.259 0.0208 0.77 0.258 0.0222 1.02 1.2649 0.9909 3087010 TimTec1_007962 Cc1c(sc2ncn(C)c(=O)c12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J21 compound treatment 0.256 0.0178 0.66 0.26 0.0242 1.11 1.2508 0.9696 3212210 TimTec1_007963 Cn1c(NC2CC(=O)N(C2=O)c3ccc(Cl)cc3Cl)cc(=O)n(C)c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J22 compound treatment 0.255 0.0168 0.62 0.251 0.0152 0.7 0.9331 0.9985 3087011 TimTec1_007964 Cc1c(sc2nc[nH]c(=O)c12)C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J23 mock treatment 0.248 0.00977 0.36 0.25 0.0142 0.65 0.7166 0.9623 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 J24 mock treatment 0.24 0.00177 0.07 0.227 -0.00881 -0.4 -0.2385 -0.5836 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K01 compound treatment 0.235 -0.00323 -0.12 0.238 0.00219 0.1 -0.0138 -0.0883 3212211 TimTec1_007965 CC(=O)Nc1ccccc1c2ccc(C)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K02 compound treatment 0.249 0.0108 0.4 0.256 0.0202 0.92 0.9372 0.93 1741002 TimTec1_007966 Oc1c(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)n(Cc3ccco3)c4CCCCc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K03 compound treatment 0.255 0.0168 0.62 0.251 0.0152 0.7 0.9331 0.9985 3087012 TimTec1_007967 O=C(Nc1nncs1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K04 compound treatment 0.253 0.0148 0.55 0.254 0.0182 0.83 0.9776 0.9796 3212212 TimTec1_007968 CCOc1cc(cc(OCC)c1OCC)c2nc(no2)c3ccc(C)nc3OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K05 compound treatment 0.264 0.0258 0.96 0.264 0.0282 1.29 1.5907 0.9893 3087013 TimTec1_007969 CCOC(=O)c1cnc2c(C)c(C)ccc2c1NCCCN(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K06 compound treatment 0.261 0.0228 0.85 0.259 0.0232 1.06 1.3499 0.9937 3212213 TimTec1_007970 Clc1ccccc1Cn2c(=O)oc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K07 compound treatment 0.295 0.0568 2.11 0.298 0.0622 2.85 3.5068 0.9892 1136632 TimTec1_007971 Clc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K08 compound treatment 0.256 0.0178 0.66 0.257 0.0212 0.97 1.1536 0.9825 3212214 TimTec1_007972 O=C(NCCCn1ccnc1)c2cc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K09 compound treatment 0.259 0.0208 0.77 0.259 0.0232 1.06 1.2973 0.9878 3212215 TimTec1_007973 CCC(=O)c1cn(CC(=O)N2CCCC2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K10 compound treatment 0.251 0.0128 0.48 0.251 0.0152 0.7 0.8279 0.9827 3087014 TimTec1_007974 C=CCc1cccc2cc(C(=O)NCC3CCCO3)c(=O)oc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K11 compound treatment 0.316 0.0778 2.89 0.309 0.0732 3.35 4.4153 0.9973 1305056 TimTec1_007975 Clc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K12 compound treatment 0.255 0.0168 0.62 0.255 0.0192 0.88 1.0626 0.9859 3087015 TimTec1_007976 CC(C)OC(=O)Cn1c(=O)oc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K13 compound treatment 0.255 0.0168 0.62 0.255 0.0192 0.88 1.0626 0.9859 3212285 TimTec1_007977 O=C(Cc1ccccc1)N2CCC(CC2)C(=O)NC3CCCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K14 compound treatment 0.29 0.0518 1.93 0.288 0.0522 2.39 3.0515 0.9943 3087016 TimTec1_007978 CCc1nn2cc(nc2s1)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K15 compound treatment 0.253 0.0148 0.55 0.253 0.0172 0.79 0.9452 0.9846 3212286 TimTec1_007979 Clc1ccccc1OCC(=O)N2CCc3ccccc3C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K16 compound treatment 0.341 0.103 3.82 0.321 0.0852 3.9 5.4613 0.9999 1268638 TimTec1_007980 CCCC(=O)Nc1ccc(cc1)c2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K17 compound treatment 0.259 0.0208 0.77 0.257 0.0212 0.97 1.2325 0.9936 3212287 TimTec1_007981 OC(=O)c1cccnc1c2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K18 compound treatment 0.288 0.0498 1.85 0.29 0.0542 2.48 3.0637 0.9896 1430476 TimTec1_007982 COC(=O)c1cc(sc1NC(=O)C2CCCO2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K19 compound treatment 0.257 0.0188 0.7 0.261 0.0252 1.15 1.3095 0.9711 1234211 TimTec1_007983 CCN(CC)C(=O)COc1cc2oc(=O)cc(CC)c2cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K20 compound treatment 0.288 0.0498 1.85 0.291 0.0552 2.53 3.0961 0.9883 3212288 TimTec1_007984 O=C(Cc1ccccc1)Nc2nnc(s2)C3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K21 compound treatment 0.257 0.0188 0.7 0.255 0.0192 0.88 1.1152 0.9935 3087017 TimTec1_007985 O=C(Nc1ccc2OCCOc2c1)C3(CCOCC3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K22 compound treatment 0.265 0.0268 1.0 0.259 0.0232 1.06 1.4551 0.9995 3212289 TimTec1_007986 O=C(COC(=O)c1cnccn1)c2ccc3CCCCc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K23 mock treatment 0.257 0.0188 0.7 0.256 0.0202 0.92 1.1476 0.9904 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 K24 mock treatment 0.233 -0.00523 -0.19 0.236 1.94E-4 0.01 -0.1312 -0.6742 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L01 compound treatment 0.361 0.123 4.57 0.362 0.126 5.78 7.3148 0.9932 3212290 TimTec1_007987 Clc1ccc(cc1)N2C(=O)C=C(N3CCOCC3)C2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L02 compound treatment 0.251 0.0128 0.48 0.25 0.0142 0.65 0.7955 0.9882 3087018 TimTec1_007988 C(N1CCC(CC1)N2CCCCC2)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L03 compound treatment 0.252 0.0138 0.51 0.254 0.0182 0.83 0.9513 0.9727 3212291 TimTec1_007989 O=C(NC1CCS(=O)(=O)C1)c2ccc(C#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L04 compound treatment 0.26 0.0218 0.81 0.259 0.0232 1.06 1.3236 0.9911 1181051 TimTec1_007990 Cc1c(sc2ncn(CC(=O)N)c(=O)c12)C(=O)Nc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L05 compound treatment 0.255 0.0168 0.62 0.254 0.0182 0.83 1.0302 0.9899 3212292 TimTec1_007991 CN1CCC(CC1)OC(=O)Cc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L06 compound treatment 0.269 0.0308 1.14 0.265 0.0292 1.34 1.7546 0.997 1548607 TimTec1_007992 COC(=O)c1sc(NC(=O)COc2ccc(OC)cc2)c(C#N)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L07 compound treatment 0.253 0.0148 0.55 0.254 0.0182 0.83 0.9776 0.9796 1562684 TimTec1_007993 COc1ccccc1CNC(=O)C2COc3ccccc3O2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L08 compound treatment 0.252 0.0138 0.51 0.25 0.0142 0.65 0.8218 0.9931 3212293 TimTec1_007994 O=C(Nc1cccc2ncccc12)c3cc4ccccc4o3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L09 compound treatment 0.255 0.0168 0.62 0.255 0.0192 0.88 1.0626 0.9859 3087019 TimTec1_007995 Cc1cc2ncc(C(=O)Nc3ccccc3)c(C)n2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L10 compound treatment 0.257 0.0188 0.7 0.256 0.0202 0.92 1.1476 0.9904 1358839 TimTec1_007996 O=c1n(Cc2ccccc2)cnc3sc4CCCCc4c13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L11 compound treatment 0.256 0.0178 0.66 0.254 0.0182 0.83 1.0565 0.9934 3087020 TimTec1_007997 OC(=O)c1cccc(NCc2ccc3OCOc3c2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L12 compound treatment 0.255 0.0168 0.62 0.257 0.0212 0.97 1.1273 0.9772 3212294 TimTec1_007998 CCOc1ccc2nc(Nc3ncc4C(=O)CCCc4n3)nc(C)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L13 compound treatment 0.234 -0.00423 -0.16 0.234 -0.00181 -0.08 -0.1696 -0.955 1728999 TimTec1_007999 CC(Nc1ncnc2ccccc12)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L14 compound treatment 0.257 0.0188 0.7 0.258 0.0222 1.02 1.2123 0.9832 3087021 TimTec1_008000 CCCC(C)C(=O)Nc1nnc(C)s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L15 compound treatment 0.256 0.0178 0.66 0.256 0.0202 0.92 1.1213 0.9865 3212295 TimTec1_008001 COc1cc(cc(OC)c1OC)C(=O)OC2CSCC2NC(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L16 compound treatment 0.256 0.0178 0.66 0.259 0.0232 1.06 1.2184 0.974 1295031 TimTec1_008002 Cc1ccc(cc1)c2csc3ncn(CC=C)c(=O)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L17 compound treatment 0.261 0.0228 0.85 0.261 0.0252 1.15 1.4147 0.9885 3212296 TimTec1_008003 Nc1nnnn1NCc2ccc(OCC=C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L18 compound treatment 0.249 0.0108 0.4 0.249 0.0132 0.6 0.7105 0.9801 1488995 TimTec1_008004 CC(NC(=O)c1ccc2[nH]cnc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L19 compound treatment 0.26 0.0218 0.81 0.26 0.0242 1.11 1.356 0.9882 1871879 TimTec1_008005 CCNc1nnc(s1)c2ccccc2OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L20 compound treatment 0.255 0.0168 0.62 0.257 0.0212 0.97 1.1273 0.9772 3212297 TimTec1_008006 COc1ccccc1NC(=O)Cn2cnc3sc(C(=O)OC(C)C)c(C)c3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L21 compound treatment 0.278 0.0398 1.48 0.267 0.0312 1.43 2.056 0.9998 1191843 TimTec1_008007 CC(=O)Nc1cc2nn(nc2cc1C)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L22 compound treatment 0.256 0.0178 0.66 0.253 0.0172 0.79 1.0241 0.9962 3212298 TimTec1_008008 NC(=O)Cn1cc(C(=O)c2ccccc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L23 mock treatment 0.247 0.00877 0.33 0.253 0.0172 0.79 0.7874 0.924 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 L24 mock treatment 0.242 0.00377 0.14 0.212 -0.0238 -1.09 -0.6715 -0.611 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M01 compound treatment 0.217 -0.0212 -0.79 0.223 -0.0128 -0.59 -0.9729 -0.9893 3087022 TimTec1_008009 COC(=O)C1C2OC3(CN(C(c4ccccc4)c5ccccc5)C(=O)C13)C=C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M02 compound treatment 0.246 0.00777 0.29 0.244 0.00819 0.38 0.4697 0.9917 3212299 TimTec1_008010 CCc1cc2c(NC3CCCC3)ncnc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M03 compound treatment 0.247 0.00877 0.33 0.25 0.0142 0.65 0.6903 0.9492 3212300 TimTec1_008011 O=C(NCC1CCCO1)C2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M04 compound treatment 0.258 0.0198 0.74 0.257 0.0212 0.97 1.2062 0.9907 3087023 TimTec1_008012 CCOc1nc(C)ccc1c2noc(n2)c3cccc(C)c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M05 compound treatment 0.276 0.0378 1.41 0.27 0.0342 1.57 2.1006 0.9985 3212301 TimTec1_008013 Fc1ccc(cc1)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M06 compound treatment 0.25 0.0118 0.44 0.25 0.0142 0.65 0.7692 0.9815 3087024 TimTec1_008014 FC(F)(F)Oc1ccc(NC(=O)C2=NCCN2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M07 compound treatment 0.262 0.0238 0.88 0.258 0.0222 1.02 1.3438 0.9976 1398079 TimTec1_008015 COc1ccc(NC(=O)C(C)NC(=O)c2ccccc2NC(=O)c3ccco3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M08 compound treatment 0.259 0.0208 0.77 0.259 0.0232 1.06 1.2973 0.9878 3212302 TimTec1_008016 CC(C(=O)N1CCCCCC1)(c2ccccc2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M09 compound treatment 0.257 0.0188 0.7 0.256 0.0202 0.92 1.1476 0.9904 3087025 TimTec1_008017 CCC(=O)c1cn(CC(=O)N2CCc3ccccc23)c4ccccc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M10 compound treatment 0.255 0.0168 0.62 0.251 0.0152 0.7 0.9331 0.9985 3212303 TimTec1_008018 Clc1ccc2oc(=O)c(cc2c1)C(=O)NCCC3=CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M11 compound treatment 0.254 0.0158 0.59 0.247 0.0112 0.51 0.7773 0.9977 3087026 TimTec1_008019 O=S1(=O)N=C(NCc2ccco2)c3ccccc31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M12 compound treatment 0.255 0.0168 0.62 0.255 0.0192 0.88 1.0626 0.9859 3212304 TimTec1_008020 CCc1ccc(NC(=O)CCc2ccc(C)o2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M13 compound treatment 0.251 0.0128 0.48 0.25 0.0142 0.65 0.7955 0.9882 3087027 TimTec1_008021 CN1CCN(CC1)C(=O)CNS(=O)(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M14 compound treatment 0.255 0.0168 0.62 0.255 0.0192 0.88 1.0626 0.9859 3212305 TimTec1_008022 Cc1nc2ccc(cc2nc1C)C(=O)OCC(=O)c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M15 compound treatment 0.254 0.0158 0.59 0.257 0.0212 0.97 1.101 0.971 3087028 TimTec1_008023 Fc1ccc(cc1)C(=O)COC(=O)Cc2c[nH]c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M16 compound treatment 0.247 0.00877 0.33 0.249 0.0132 0.6 0.6579 0.9582 1683207 TimTec1_008024 COc1ccc(cc1OC)n2cnc3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M17 compound treatment 0.254 0.0158 0.59 0.253 0.0172 0.79 0.9715 0.9895 1652913 TimTec1_008025 CN(C(=O)CCc1nc2ccccc2s1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M18 compound treatment 0.22 -0.0182 -0.68 0.22 -0.0158 -0.72 -0.9911 -0.9995 1732533 TimTec1_008026 CCOC(=O)c1cnc2ccccc2c1NCCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M19 compound treatment 0.253 0.0148 0.55 0.251 0.0152 0.7 0.8805 0.9932 1566325 TimTec1_008027 CCOC(=O)C1CCN(CC1)c2ncnc3n(ncc23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M20 compound treatment 0.254 0.0158 0.59 0.254 0.0182 0.83 1.0039 0.9853 3087029 TimTec1_008028 Oc1c2CN(Cc3ccccc3)CCc2nc4nnnn14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M21 compound treatment 0.242 0.00377 0.14 0.24 0.00419 0.19 0.235 0.9882 3212306 TimTec1_008029 Cc1ccc(NC(=O)CC2COc3ccccc3O2)cc1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M22 compound treatment 0.253 0.0148 0.55 0.253 0.0172 0.79 0.9452 0.9846 3087030 TimTec1_008030 CCC(=O)Nc1ccc2nc([nH]c2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M23 mock treatment 0.249 0.0108 0.4 0.252 0.0162 0.74 0.8077 0.9583 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 M24 mock treatment 0.231 -0.00723 -0.27 0.225 -0.0108 -0.49 -0.5399 -0.9589 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N01 compound treatment 0.247 0.00877 0.33 0.261 0.0252 1.15 1.0464 0.8729 1344636 TimTec1_008031 Cc1ccc2n3CCN(C4CCO4)C5CCCc(c53)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N02 compound treatment 0.237 -0.00123 -0.05 0.24 0.00419 0.19 0.1035 0.5246 1223236 TimTec1_008032 CCCC(=O)c1cn(CC(=O)OC)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N03 compound treatment 0.257 0.0188 0.7 0.251 0.0152 0.7 0.9857 1.0 3212369 TimTec1_008033 O=c1sc2ccccc2n1Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N04 compound treatment 0.244 0.00577 0.21 0.242 0.00619 0.28 0.3524 0.9906 1413258 TimTec1_008034 CC1CCN(CC1)C(=O)Cn2cnc3sc(C(=O)Nc4ccccc4)c(C)c3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N05 compound treatment 0.248 0.00977 0.36 0.246 0.0102 0.47 0.5871 0.9924 3087031 TimTec1_008035 O=C(Cc1ccccc1)OCCN2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N06 compound treatment 0.277 0.0388 1.44 0.268 0.0322 1.47 2.0621 0.9999 1462249 TimTec1_008036 O=c1[nH]c2ccc(Oc3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2[nH]c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N07 compound treatment 0.246 0.00777 0.29 0.248 0.0122 0.56 0.5993 0.9531 1786652 TimTec1_008037 O=C(C1COc2ccccc2O1)N3CCc4ccccc4C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N08 compound treatment 0.254 0.0158 0.59 0.249 0.0132 0.6 0.842 0.9999 3087059 TimTec1_008038 COC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)c3ccc(F)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N09 compound treatment 0.241 0.00277 0.1 0.241 0.00519 0.24 0.2411 0.9301 3087060 TimTec1_008039 CCc1cc(=O)n2nc(C)c(c3ccccc3OC)c2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N10 compound treatment 0.262 0.0238 0.88 0.253 0.0172 0.79 1.1819 0.9983 3087061 TimTec1_008040 CCOC(=O)c1sc2ncn(CC(=O)OC)c(=O)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N11 compound treatment 0.252 0.0138 0.51 0.253 0.0172 0.79 0.9189 0.9783 3087062 TimTec1_008041 CCCn1nnnc1NCc2ccc(cc2)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N12 compound treatment 0.246 0.00777 0.29 0.245 0.00919 0.42 0.5021 0.9832 3087063 TimTec1_008042 Cn1ncc2c(Nc3ccccc3)ncnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N13 compound treatment 0.245 0.00677 0.25 0.246 0.0102 0.47 0.5082 0.9581 3087064 TimTec1_008043 Clc1ccc(OCCCC(=O)N2CCCCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N14 compound treatment 0.251 0.0128 0.48 0.249 0.0132 0.6 0.7631 0.9929 3087065 TimTec1_008044 Fc1cccc(c1)C(=O)Nc2ncccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N15 compound treatment 0.264 0.0258 0.96 0.26 0.0242 1.11 1.4612 0.9974 3087066 TimTec1_008045 Cc1ccc(cc1)C2CC(=C3C(Nc4ccccc4N=C3C2)c5cccnc5)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N16 compound treatment 0.255 0.0168 0.62 0.25 0.0142 0.65 0.9007 0.9998 1678072 TimTec1_008046 COC(=O)C(C)n1cnc2scc(c3ccc(OC)cc3)c2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N17 compound treatment 0.255 0.0168 0.62 0.249 0.0132 0.6 0.8683 0.9999 3087067 TimTec1_008047 OC(=O)CCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N18 compound treatment 0.267 0.0288 1.07 0.268 0.0322 1.47 1.7991 0.9876 1723066 TimTec1_008048 CCCOC(=O)Nc1sc2CCCc2c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N19 compound treatment 0.249 0.0108 0.4 0.251 0.0152 0.7 0.7753 0.9657 3212370 TimTec1_008049 CC1=C(C(C2=C(CCCC2=O)N1)c3ccc(cc3)C(F)(F)F)C(=O)N4CCOCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N20 compound treatment 0.253 0.0148 0.55 0.251 0.0152 0.7 0.8805 0.9932 3087068 TimTec1_008050 O=C(Nc1ccc(cc1)N2CCOCC2)c3nc4ccccc4s3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N21 compound treatment 0.244 0.00577 0.21 0.244 0.00819 0.38 0.4171 0.965 3087069 TimTec1_008051 Brc1ccc(COC(=O)c2cccnc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N22 compound treatment 0.27 0.0318 1.18 0.268 0.0322 1.47 1.878 0.994 3212371 TimTec1_008052 COc1cc2c(C(=O)O)c(C)n(C)c2cc1Br 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N23 mock treatment 0.25 0.0118 0.44 0.245 0.00919 0.42 0.6073 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 N24 mock treatment 0.241 0.00277 0.1 0.243 0.00719 0.33 0.3059 0.8862 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O01 compound treatment 0.203 -0.0352 -1.31 0.199 -0.0368 -1.69 -2.1181 -0.9923 3212372 TimTec1_008053 CCOC(=O)C1C2OC3(CN(Cc4ccc(C)cc4)C(=O)C13)C=C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O02 compound treatment 0.247 0.00877 0.33 0.25 0.0142 0.65 0.6903 0.9492 1226227 TimTec1_008054 COc1ccccc1OCCN2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O03 compound treatment 0.247 0.00877 0.33 0.249 0.0132 0.6 0.6579 0.9582 1257135 TimTec1_008055 CC(C)(C)C(=O)Nc1cccc(c1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O04 compound treatment 0.247 0.00877 0.33 0.249 0.0132 0.6 0.6579 0.9582 3087070 TimTec1_008056 COCC(=O)N(Cc1cc2cccc(C)c2nc1O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O05 compound treatment 0.259 0.0208 0.77 0.26 0.0242 1.11 1.3297 0.9845 1217386 TimTec1_008057 COc1ccccc1c2coc3c(CN(C)C4CCCCC4)c(O)ccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O06 compound treatment 0.246 0.00777 0.29 0.247 0.0112 0.51 0.5669 0.9633 1319384 TimTec1_008058 C=CCn1c(CNC(=O)c2ccccc2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O07 compound treatment 0.234 -0.00423 -0.16 0.238 0.00219 0.1 -0.0401 -0.2151 1357487 TimTec1_008059 Cc1ccc(cc1)c2csc3ncnc(NCCO)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O08 compound treatment 0.253 0.0148 0.55 0.252 0.0162 0.74 0.9129 0.9891 3087071 TimTec1_008060 Cc1sc(c(C(=O)O)c1C)n2cccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O09 compound treatment 0.24 0.00177 0.07 0.249 0.0132 0.6 0.4738 0.7797 3212373 TimTec1_008061 CCC(=O)c1cn(Cc2ccccc2C#N)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O10 compound treatment 0.259 0.0208 0.77 0.263 0.0272 1.25 1.4268 0.9737 3087072 TimTec1_008062 COc1ccc2oc(=O)c(cc2c1)C(=O)NC3CCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O11 compound treatment 0.265 0.0268 1.0 0.264 0.0282 1.29 1.617 0.9918 3212374 TimTec1_008063 CCc1ccccc1NC(=O)Cn2cnc3ccccc3c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O12 compound treatment 0.25 0.0118 0.44 0.251 0.0152 0.7 0.8016 0.9751 3087073 TimTec1_008064 COC(=O)Cn1c(=O)sc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O13 compound treatment 0.246 0.00777 0.29 0.244 0.00819 0.38 0.4697 0.9917 3212375 TimTec1_008065 Cc1nc2ccccc2c(=O)n1c3ccc(Cl)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O14 compound treatment 0.278 0.0398 1.48 0.281 0.0452 2.07 2.5093 0.9865 3087074 TimTec1_008066 O=C(COC(=O)c1ccncc1)c2ccc3ccccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O15 compound treatment 0.244 0.00577 0.21 0.245 0.00919 0.42 0.4495 0.9512 3212376 TimTec1_008067 CN(C)c1ncnc2sc(C)c(C)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O16 compound treatment 0.234 -0.00423 -0.16 0.248 0.0122 0.56 0.2836 0.489 1595494 TimTec1_008068 C(C1COc2ccccc2N1)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O17 compound treatment 0.25 0.0118 0.44 0.246 0.0102 0.47 0.6397 0.9995 1719142 TimTec1_008069 CC1(C)C2(C)CCC1(CC2=O)C(=O)Nc3ccc(Cl)cn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O18 compound treatment 0.256 0.0178 0.66 0.266 0.0302 1.38 1.445 0.943 3212377 TimTec1_008070 Cc1cc(Cl)ccc1NC(=O)COC(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O19 compound treatment 0.247 0.00877 0.33 0.243 0.00719 0.33 0.4637 1.0 3212378 TimTec1_008071 COc1ccc(cc1)C2(CCCC2)C(=O)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O20 compound treatment 0.244 0.00577 0.21 0.245 0.00919 0.42 0.4495 0.9512 3087075 TimTec1_008072 C(N1CCCCCC1)c2nc3ccccc3[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O21 compound treatment 0.246 0.00777 0.29 0.237 0.00119 0.05 0.2431 0.8261 3212379 TimTec1_008073 CCOC(=O)N1CCC2(CC1)C(=C(N)OC3=C2C(=O)CCC3)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O22 compound treatment 0.25 0.0118 0.44 0.25 0.0142 0.65 0.7692 0.9815 3087076 TimTec1_008074 CC(C)c1nc2cc(NC(=O)C3CCCCC3)ccc2[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O23 mock treatment 0.243 0.00477 0.18 0.248 0.0122 0.56 0.5203 0.8882 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 O24 mock treatment 0.216 -0.0222 -0.83 0.213 -0.0228 -1.04 -1.3229 -0.9933 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P01 compound treatment 0.177 -0.0612 -2.28 0.182 -0.0538 -2.46 -3.3523 -0.9992 3212380 TimTec1_008075 CCOCC(=O)N1CCc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P02 compound treatment 0.253 0.0148 0.55 0.249 0.0132 0.6 0.8157 0.9989 3212381 TimTec1_008076 NC1=C(C#N)C2(CCN(Cc3ccccc3)CC2)C(=C4Nc5ccccc5N41)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P03 compound treatment 0.217 -0.0212 -0.79 0.233 -0.00281 -0.13 -0.6491 -0.8115 1118497 TimTec1_008077 OC1CS(=O)(=O)CC1Nc2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P04 compound treatment 0.227 -0.0112 -0.42 0.213 -0.0228 -1.04 -1.0336 -0.9191 1599062 TimTec1_008078 O=C(Cn1cnc2scc(c3ccccc3)c2c1=O)N4CCCCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P05 compound treatment 0.222 -0.0162 -0.6 0.231 -0.00481 -0.22 -0.5824 -0.9066 3087077 TimTec1_008079 CC1CCN(CC1)C(=O)c2cc3ccccc3o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P06 compound treatment 0.216 -0.0222 -0.83 0.23 -0.00581 -0.27 -0.7725 -0.8896 3212382 TimTec1_008080 CCCOC(=O)c1ccc(cc1)n2nc(c3c(C)cc(=O)oc23)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P07 compound treatment 0.236 -0.00223 -0.08 0.24 0.00419 0.19 0.0772 0.3694 3087078 TimTec1_008081 CCc1ccc(CN2CCC(CC2)N3CCCCC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P08 compound treatment 0.219 -0.0192 -0.72 0.23 -0.00581 -0.27 -0.6936 -0.9092 3212383 TimTec1_008082 CCCNC(=O)c1cnn2c(C)cc(C)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P09 compound treatment 0.218 -0.0202 -0.75 0.231 -0.00481 -0.22 -0.6876 -0.8772 1549606 TimTec1_008083 Clc1ccc2oc(=O)n(CN3CCCCC3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P10 compound treatment 0.226 -0.0122 -0.45 0.22 -0.0158 -0.72 -0.8333 -0.9749 3212384 TimTec1_008084 CCn1cnc2scc(c3ccccc3)c2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P11 compound treatment 0.228 -0.0102 -0.38 0.228 -0.00781 -0.36 -0.5217 -0.9995 3087079 TimTec1_008085 COc1cc(CNCc2cccnc2)ccc1OCC(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P12 compound treatment 0.239 7.74E-4 0.03 0.229 -0.00681 -0.31 -0.2 -0.639 3212385 TimTec1_008086 CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)NC3CCCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P13 compound treatment 0.236 -0.00223 -0.08 0.236 1.94E-4 0.01 -0.0523 -0.6278 3212386 TimTec1_008087 Cc1sc2ncn(CC(=O)OC3CCCCC3)c(=O)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P14 compound treatment 0.217 -0.0212 -0.79 0.232 -0.00381 -0.17 -0.6815 -0.8429 3087080 TimTec1_008088 Cc1ccc(CC(=O)N2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P15 compound treatment 0.237 -0.00123 -0.05 0.235 -8.06E-4 -0.04 -0.0583 -0.9945 3212387 TimTec1_008089 COC(=O)C1C(C)CC2=C(C(Nc3ccccc3N2)c4ccccc4C)C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P16 compound treatment 0.236 -0.00223 -0.08 0.23 -0.00581 -0.27 -0.2465 -0.8854 1622942 TimTec1_008090 CCCn1cnc2scc(c3ccc(OC)cc3)c2c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P17 compound treatment 0.264 0.0258 0.96 0.284 0.0482 2.21 2.2382 0.9303 3212388 TimTec1_008091 O=C(Nc1ccc(cc1)c2nc3ccccc3s2)C4CCCO4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P18 compound treatment 0.227 -0.0112 -0.42 0.222 -0.0138 -0.63 -0.7423 -0.9797 3087081 TimTec1_008092 NC1=C(C(=O)CN1c2ccccc2)c3nc4ccccc4c(=O)[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P19 compound treatment 0.291 0.0528 1.96 0.292 0.0562 2.57 3.2073 0.9911 3212389 TimTec1_008093 CCOc1cccc(c1)C2C(=CN(CC)C=C2C(=O)OC)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P20 compound treatment 0.209 -0.0292 -1.09 0.225 -0.0108 -0.49 -1.1185 -0.9365 3087082 TimTec1_008094 Cc1nc2ccc(NC(=O)N3CCSCC3)cc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P21 compound treatment 0.242 0.00377 0.14 0.237 0.00119 0.05 0.1379 0.9155 3212390 TimTec1_008095 CC(C)OC(=O)c1ccc(COC(=O)CNC(=O)c2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P22 compound treatment 0.224 -0.0142 -0.53 0.231 -0.00481 -0.22 -0.5298 -0.9244 3087083 TimTec1_008096 Fc1cccc(CNCC2CCCO2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P23 mock treatment 0.209 -0.0292 -1.09 0.223 -0.0128 -0.59 -1.1833 -0.958 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2085 P24 mock treatment 0.197 -0.0412 -1.53 0.197 -0.0388 -1.78 -2.3407 -0.9973 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A01 compound treatment 0.172 -0.0701 -2.61 -2.6061 -1.0 3212391 TimTec1_008097 Cc1ccsc1CNCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A02 compound treatment 0.202 -0.0401 -1.49 -1.4903 -1.0 3212454 TimTec1_008098 Clc1cccc(CN2CCC(CC2)C(=O)N(CC=C)CC=C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A03 compound treatment 0.214 -0.0281 -1.04 -1.0439 -1.0 3087084 TimTec1_008099 NC(=O)c1c(NC(=O)c2cc(on2)c3ccccc3)sc4CCCCc14 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A04 compound treatment 0.236 -0.00607 -0.23 -0.2256 -1.0 3212455 TimTec1_008100 Oc1ccccc1CNCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A05 compound treatment 0.23 -0.0121 -0.45 -0.4488 -1.0 3212456 TimTec1_008101 CNCC(O)Cn1c(nc2ccccc12)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A06 compound treatment 0.188 -0.0541 -2.01 -2.011 -1.0 3212457 TimTec1_008102 O=C(NCCc1ccccc1)C2CCN(CC2)C(=O)C(C(=O)c3ccccc3)n4ccccc4=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A07 compound treatment 0.182 -0.0601 -2.23 -2.2342 -1.0 1688145 TimTec1_008103 CC(=O)Nc1cccc(c1)c2cn3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A08 compound treatment 0.216 -0.0261 -0.97 -0.9696 -1.0 3087085 TimTec1_008104 Cc1c(sc2nc[nH]c(=O)c12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A09 compound treatment 0.2 -0.0421 -1.56 -1.5647 -1.0 1173874 TimTec1_008105 CCN1C(=O)C(C(=O)O)C(=O)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A10 compound treatment 0.234 -0.00807 -0.3 -0.3 -1.0 3087086 TimTec1_008106 CC(NCC1OCc2ccccc2CO1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A11 compound treatment 0.231 -0.0111 -0.41 -0.4116 -1.0 3212458 TimTec1_008107 CCCC1CCC(CC1)C2CCC(CC2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A12 compound treatment 0.241 -0.00107 -0.04 -0.0397 -1.0 1532351 TimTec1_008108 CC(C)(C)Oc1ccc(cc1)C(=O)N(Cc2ccc(F)cc2)C3CCOC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A13 compound treatment 0.218 -0.0241 -0.9 -0.8952 -1.0 1359062 TimTec1_008109 CCOc1ccc2ncc(C(=O)O)c(O)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A14 compound treatment 0.238 -0.00407 -0.15 -0.1513 -1.0 3212459 TimTec1_008110 CN(C)c1ccc(CNCCC2(CCOC(C)(C)C2)c3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A15 compound treatment 0.235 -0.00707 -0.26 -0.2628 -1.0 1788332 TimTec1_008111 CCOc1ccc(NC(=O)C2C(C3OC2C=C3)C(=O)O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A16 compound treatment 0.226 -0.0161 -0.6 -0.5976 -1.0 3212460 TimTec1_008112 CC1(C)CC(CC(C)(C)N1)NCc2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A17 compound treatment 0.214 -0.0281 -1.04 -1.0439 -1.0 3087087 TimTec1_008113 COc1ccccc1C2=NOC(C2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A18 compound treatment 0.233 -0.00907 -0.34 -0.3372 -1.0 1394442 TimTec1_008114 Fc1ccc(CNCc2cccnc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A19 compound treatment 0.229 -0.0131 -0.49 -0.486 -1.0 3212461 TimTec1_008115 Cc1ccc(Nc2nc(cs2)C(=O)N3CCCCC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A20 compound treatment 0.226 -0.0161 -0.6 -0.5976 -1.0 3087088 TimTec1_008116 COc1ccc(CNCCN(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A21 compound treatment 0.2 -0.0421 -1.56 -1.5647 -1.0 3087089 TimTec1_008117 CN1CCN(Cc2cn[nH]c2c3ccccc3)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A22 compound treatment 0.224 -0.0181 -0.67 -0.672 -1.0 3212462 TimTec1_008118 C(CN1CCOCC1)NCc2ccncc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A23 mock treatment 0.22 -0.0221 -0.82 -0.8208 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 A24 mock treatment 0.164 -0.0781 -2.9 -2.9037 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B01 compound treatment 0.194 -0.0481 -1.79 -1.7878 -1.0 1348556 TimTec1_008119 OC(=O)CNC(=O)COc1ccc(cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B02 compound treatment 0.249 0.00693 0.26 0.2579 1.0 3087090 TimTec1_008120 N#CNC1=NCN(CCN2CCOCC2)CN1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B03 compound treatment 0.254 0.0119 0.44 0.4439 1.0 1514480 TimTec1_008121 OC(=O)CCCC(=O)Nc1ccccc1N2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B04 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3087137 TimTec1_008122 COc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B05 compound treatment 0.249 0.00693 0.26 0.2579 1.0 3087138 TimTec1_008123 CC1CCCCN1C(C(=O)O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B06 compound treatment 0.254 0.0119 0.44 0.4439 1.0 3087139 TimTec1_008124 NC(=O)C1CCCN(C1)S(=O)(=O)c2ccc(Cl)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B07 compound treatment 0.25 0.00793 0.3 0.2951 1.0 1468759 TimTec1_008125 CC1(C)CC(CCN)(Cc2ccccc2)CCO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B08 compound treatment 0.264 0.0219 0.82 0.8158 1.0 3087140 TimTec1_008126 NC1=C(C#N)C(c2ccsc2)c3oc(CO)cc(=O)c3O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B09 compound treatment 0.258 0.0159 0.59 0.5926 1.0 1583111 TimTec1_008127 Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)O)cc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B10 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3087141 TimTec1_008128 CCCC1C(=C(N)OC2=C1C(=O)CCC2)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B11 compound treatment 0.254 0.0119 0.44 0.4439 1.0 1405409 TimTec1_008129 CCOC(=O)c1cn(C2CC2)c3c(F)c(F)c(F)cc3c1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B12 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3212463 TimTec1_008130 CC(CCc1ccccc1)NCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B13 compound treatment 0.254 0.0119 0.44 0.4439 1.0 1179105 TimTec1_008131 OC(=O)C(CC(=O)Nc1ccccc1)C2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B14 compound treatment 0.246 0.00393 0.15 0.1463 1.0 3087142 TimTec1_008132 O=C(COc1ccccc1)NCCN2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B15 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3212464 TimTec1_008133 CC(Cc1ccccc1)NC(=O)c2cnc[nH]2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B16 compound treatment 0.259 0.0169 0.63 0.6298 1.0 3087143 TimTec1_008134 OC(=O)COCC(=O)Nc1ccc(Br)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B17 compound treatment 0.257 0.0149 0.56 0.5554 1.0 3212465 TimTec1_008135 CN(C)CC#CCN1CCCC2(CCOC(C)(C)C2)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B18 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3087144 TimTec1_008136 Sc1nnc(CN2CCOCC2)n1c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B19 compound treatment 0.252 0.00993 0.37 0.3695 1.0 1605075 TimTec1_008137 CCCC(=O)c1cc(F)c(cc1C)N2CCN(C)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B20 compound treatment 0.254 0.0119 0.44 0.4439 1.0 3087145 TimTec1_008138 Cc1ccc(NC(=O)c2ccco2)c(N)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B21 compound treatment 0.243 9.33E-4 0.03 0.0347 1.0 3212466 TimTec1_008139 CC(C)(C)NC(=O)c1cc(NC(=O)C(F)(F)F)cc(NC(=O)C(F)(F)F)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B22 compound treatment 0.248 0.00593 0.22 0.2207 1.0 1098688 TimTec1_008140 CCN(CC)Cc1c(C)nc2ccccc2c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B23 mock treatment 0.25 0.00793 0.3 0.2951 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 B24 mock treatment 0.222 -0.0201 -0.75 -0.7464 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C01 compound treatment 0.188 -0.0541 -2.01 -2.011 -1.0 3212467 TimTec1_008141 OC(=O)c1cccc(NCc2ccncc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C02 compound treatment 0.247 0.00493 0.18 0.1835 1.0 3212468 TimTec1_008142 COc1cc(CN2CCC(CC2)C(=O)N3CCN(CC3)c4ccccc4F)cc(OC)c1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C03 compound treatment 0.236 -0.00607 -0.23 -0.2256 -1.0 3087146 TimTec1_008143 CN(C1CCCCC1)C(=O)c2cc(on2)c3ccc(C)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C04 compound treatment 0.249 0.00693 0.26 0.2579 1.0 3212469 TimTec1_008144 CCOC(=O)C1CCN(Cc2cccc(OC)c2O)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C05 compound treatment 0.239 -0.00307 -0.11 -0.1141 -1.0 1633390 TimTec1_008145 OC(=O)C1CCCN1S(=O)(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C06 compound treatment 0.282 0.0399 1.49 1.4853 1.0 3212470 TimTec1_008146 CN(Cc1ccccc1)C(=O)c2csc(Nc3ccc(C)cc3)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C07 compound treatment 0.244 0.00193 0.07 0.0719 1.0 3087147 TimTec1_008147 CCNC(=O)c1sc(nc1C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C08 compound treatment 0.274 0.0319 1.19 1.1878 1.0 1420669 TimTec1_008148 OC(=O)C1Nc2ccccc2C3C=CCC31 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C09 compound treatment 0.242 -6.67E-5 0.0 -0.0025 -1.0 3087148 TimTec1_008149 Cc1ccc(cc1)C(=O)C2CCOC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C10 compound treatment 0.246 0.00393 0.15 0.1463 1.0 1919750 TimTec1_008150 CC1=CCC(Cc2nc3ccccc3o2)C1(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C11 compound treatment 0.245 0.00293 0.11 0.1091 1.0 1520076 TimTec1_008151 CCc1nc2ccccc2c(N)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C12 compound treatment 0.248 0.00593 0.22 0.2207 1.0 1690846 TimTec1_008152 CC(=O)N(CCC(Cc1ccccc1)c2ccc3OCOc3c2)Cc4ccc5OCOc5c4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C13 compound treatment 0.324 0.0819 3.05 3.0475 1.0 1538543 TimTec1_008153 COC(=O)c1cc2ccccc2c(c1O)c3c(O)ccc4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C14 compound treatment 0.245 0.00293 0.11 0.1091 1.0 1456541 TimTec1_008154 COc1ccc(cc1)C(=O)N2CC(C)OC(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C15 compound treatment 0.318 0.0759 2.82 2.8243 1.0 1530194 TimTec1_008155 Cc1c(C)c2cc(ccc2n1Cc3ccccc3)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C16 compound treatment 0.254 0.0119 0.44 0.4439 1.0 3212471 TimTec1_008156 CC1CCN(CC1)c2c(N)cccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C17 compound treatment 0.254 0.0119 0.44 0.4439 1.0 3087149 TimTec1_008157 OC(=O)C1CC(=NO1)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C18 compound treatment 0.249 0.00693 0.26 0.2579 1.0 1649056 TimTec1_008158 Cc1ccccc1CNCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C19 compound treatment 0.249 0.00693 0.26 0.2579 1.0 3212472 TimTec1_008159 COc1ccc(Nc2nc(cs2)C(=O)NCc3ccccc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C20 compound treatment 0.238 -0.00407 -0.15 -0.1513 -1.0 3087150 TimTec1_008160 Cc1ccc(CNCc2ccncc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C21 compound treatment 0.24 -0.00207 -0.08 -0.0769 -1.0 3212473 TimTec1_008161 CCN(CCO)Cc1cn[nH]c1c2ccc(C)c(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C22 compound treatment 0.238 -0.00407 -0.15 -0.1513 -1.0 3087151 TimTec1_008162 Cc1ccc(CNCc2ccccc2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C23 mock treatment 0.236 -0.00607 -0.23 -0.2256 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 C24 mock treatment 0.229 -0.0131 -0.49 -0.486 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D01 compound treatment 0.22 -0.0221 -0.82 -0.8208 -1.0 1735820 TimTec1_008163 Cc1c(C#N)c2ccccc2n1CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D02 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3212773 TimTec1_008164 Oc1ccc2ccccc2c1CNn3cnnc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D03 compound treatment 0.255 0.0129 0.48 0.4811 1.0 1670020 TimTec1_008165 OC(=O)CCC(=O)N1CC(=O)Nc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D04 compound treatment 0.264 0.0219 0.82 0.8158 1.0 3087152 TimTec1_008166 Cc1ccc(cc1Cl)n2c(C)cc(C)c(C#N)c2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D05 compound treatment 0.251 0.00893 0.33 0.3323 1.0 3212774 TimTec1_008167 CC(C)c1nc2ccccc2n1C(C)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D06 compound treatment 0.248 0.00593 0.22 0.2207 1.0 3212775 TimTec1_008168 COc1cc2[nH]c(=O)c(C(=O)NCCCc3ccccc3)c(O)c2cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D07 compound treatment 0.249 0.00693 0.26 0.2579 1.0 1444599 TimTec1_008169 NCCC(Cc1ccccc1)c2ccc3OCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D08 compound treatment 0.258 0.0159 0.59 0.5926 1.0 3212776 TimTec1_008170 NC(=O)COc1ccc(cc1Cl)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D09 compound treatment 0.25 0.00793 0.3 0.2951 1.0 3087153 TimTec1_008171 Clc1c(sc2ccccc12)C(=O)OCCN3CCOCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D10 compound treatment 0.248 0.00593 0.22 0.2207 1.0 1395566 TimTec1_008172 Oc1cc(=O)[nH]c2nc(Nc3ccccc3)sc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D11 compound treatment 0.254 0.0119 0.44 0.4439 1.0 1499067 TimTec1_008173 CC1(C)CC(=O)C=C(C1)NCc2ccc(cc2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D12 compound treatment 0.25 0.00793 0.3 0.2951 1.0 3087154 TimTec1_008174 C(NC1CCCCCCC1)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D13 compound treatment 0.275 0.0329 1.22 1.225 1.0 1050866 TimTec1_008175 OCC12COC(N2C(OC1)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D14 compound treatment 0.252 0.00993 0.37 0.3695 1.0 3212777 TimTec1_008176 CC(CN1CCCC1)OC(=O)COc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D15 compound treatment 0.254 0.0119 0.44 0.4439 1.0 1782464 TimTec1_008177 CC(=O)Nc1c(O)c2ccccc2oc1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D16 compound treatment 0.26 0.0179 0.67 0.667 1.0 3212778 TimTec1_008178 CC(=O)NC1C(=O)Nc2ccc(F)cc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D17 compound treatment 0.268 0.0259 0.96 0.9646 1.0 3087155 TimTec1_008179 Cc1nc2n(c(C)nc2s1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D18 compound treatment 0.258 0.0159 0.59 0.5926 1.0 3212779 TimTec1_008180 CC(C)N1CC(CC1=O)C(=O)Nc2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D19 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3087156 TimTec1_008181 COC(=O)c1ccccc1S(=O)(=O)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D20 compound treatment 0.265 0.0229 0.85 0.853 1.0 3212780 TimTec1_008182 CN(C)c1ccc(cc1)C(=O)OCC(=O)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D21 compound treatment 0.249 0.00693 0.26 0.2579 1.0 3087157 TimTec1_008183 CC1CCN(Cc2ccc(N)cc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D22 compound treatment 0.241 -0.00107 -0.04 -0.0397 -1.0 1639443 TimTec1_008184 COc1ccc(cc1)c2csc3ncnc(NCCO)c23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D23 mock treatment 0.248 0.00593 0.22 0.2207 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 D24 mock treatment 0.242 -6.67E-5 0.0 -0.0025 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E01 compound treatment 0.232 -0.0101 -0.37 -0.3744 -1.0 3212781 TimTec1_008185 CC(N1CCOCC1)c2ccc(o2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E02 compound treatment 0.261 0.0189 0.7 0.7042 1.0 3087158 TimTec1_008186 CCN(Cc1ccccc1)C(=O)C2CCN(Cc3ccc(SC)cc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E03 compound treatment 0.252 0.00993 0.37 0.3695 1.0 3212782 TimTec1_008187 CCN(CC)C(=O)c1cc(on1)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E04 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3212783 TimTec1_008188 O=C(NCCc1ccccc1)C(C(=O)c2ccccc2)n3ccccc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E05 compound treatment 0.258 0.0159 0.59 0.5926 1.0 3087159 TimTec1_008189 CC1CCCCN1c2ccc(N)cc2C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E06 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3212784 TimTec1_008190 CCCCN(Cc1ccccc1)C(=O)C2CCN(Cc3cccc(O)c3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E07 compound treatment 0.223 -0.0191 -0.71 -0.7092 -1.0 1203428 TimTec1_008191 OC(=O)CCC(=O)Nc1ccc(cc1)c2cn3ccccc3n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E08 compound treatment 0.258 0.0159 0.59 0.5926 1.0 1244486 TimTec1_008192 C1C=CC2C1C(Nc3ccccc23)c4ccncc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E09 compound treatment 0.291 0.0489 1.82 1.8201 1.0 1581355 TimTec1_008193 CCCc1n[nH]c2OC(=C(C#N)C(c12)c3cc(OC)c(OC(=O)C)c(OC)c3)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E10 compound treatment 0.258 0.0159 0.59 0.5926 1.0 1500942 TimTec1_008194 CC1CC(C)(C)OC(O1)C(C)(C)CN(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E11 compound treatment 0.274 0.0319 1.19 1.1878 1.0 1697639 TimTec1_008195 CC1=C(C(NC(=O)N1)c2ccc(Cl)c(Cl)c2)C(=O)OC3CCCCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E12 compound treatment 0.251 0.00893 0.33 0.3323 1.0 1171657 TimTec1_008196 CC(NCCN1CCNCC1)c2cc(cc3c2CCC3(C)C)C(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E13 compound treatment 0.262 0.0199 0.74 0.7414 1.0 1214166 TimTec1_008197 COC(=O)c1c(N)sc2CN(C)CCc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E14 compound treatment 0.268 0.0259 0.96 0.9646 1.0 1046116 TimTec1_008198 COc1cc(CC=C)c(O)c(CC=C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E15 compound treatment 0.255 0.0129 0.48 0.4811 1.0 1038723 TimTec1_008199 CCOC(=O)COc1ccc2c(C)cc(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E16 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3212785 TimTec1_008200 COc1ccc(CNCc2ccc(cc2)N(C)C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E17 compound treatment 0.266 0.0239 0.89 0.8902 1.0 3087160 TimTec1_008201 OC(=O)c1cc(on1)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E18 compound treatment 0.262 0.0199 0.74 0.7414 1.0 3212786 TimTec1_008202 CCN1CCCC1CNCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E19 compound treatment 0.259 0.0169 0.63 0.6298 1.0 3087161 TimTec1_008203 O=C(N1CCCCC1)c2csc(Nc3cccc4ccccc34)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E20 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3212787 TimTec1_008204 C=CCC(NCc1cccs1)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E21 compound treatment 0.257 0.0149 0.56 0.5554 1.0 3087162 TimTec1_008205 O=c1oc2ccccc2n1CCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E22 compound treatment 0.247 0.00493 0.18 0.1835 1.0 3212788 TimTec1_008206 Clc1ccc(OCC(=O)N2CCNCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E23 mock treatment 0.251 0.00893 0.33 0.3323 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 E24 mock treatment 0.243 9.33E-4 0.03 0.0347 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F01 compound treatment 0.242 -6.67E-5 0.0 -0.0025 -1.0 1861305 TimTec1_008207 COc1ccc(OCc2nnc(N)s2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F02 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3087163 TimTec1_008208 Cc1ccc(O)c(CNn2cnnc2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F03 compound treatment 0.265 0.0229 0.85 0.853 1.0 3212789 TimTec1_008209 Cc1ccc(C)n1C(Cc2ccccc2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F04 compound treatment 0.26 0.0179 0.67 0.667 1.0 3087164 TimTec1_008210 OC(=O)CCC(=O)Nc1ccc(cc1)C(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F05 compound treatment 0.258 0.0159 0.59 0.5926 1.0 3212790 TimTec1_008211 CC(C)CNC(=O)C1CCCCC1C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F06 compound treatment 0.257 0.0149 0.56 0.5554 1.0 1619307 TimTec1_008212 CCCC(=O)Nc1sc2c(CC(C)(C)NC2(C)C)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F07 compound treatment 0.26 0.0179 0.67 0.667 1.0 1572925 TimTec1_008213 CC(C)c1cc(C(=O)O)n(n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F08 compound treatment 0.259 0.0169 0.63 0.6298 1.0 3087197 TimTec1_008214 CC1CCN(CC1)c2ccc(C#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F09 compound treatment 0.252 0.00993 0.37 0.3695 1.0 3087198 TimTec1_008215 CC(C)c1ccc(cc1)C(=O)CCN(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F10 compound treatment 0.257 0.0149 0.56 0.5554 1.0 3087199 TimTec1_008216 COC(=O)CC1=C(C(C(=C(N)O1)C#N)c2cccnc2)C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F11 compound treatment 0.254 0.0119 0.44 0.4439 1.0 1226789 TimTec1_008217 NC(Cc1ccccc1)c2ccc3OCCOc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F12 compound treatment 0.257 0.0149 0.56 0.5554 1.0 3087200 TimTec1_008218 Cc1cc(C)cc(OCC(=O)N2CCCC2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F13 compound treatment 0.264 0.0219 0.82 0.8158 1.0 3087201 TimTec1_008219 COc1ccc2n3CCN=C(N)c3cc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F14 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3087202 TimTec1_008220 Clc1ccc(OCC(=O)OCCN2CCOCC2)c(Cl)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F15 compound treatment 0.27 0.0279 1.04 1.039 1.0 3087203 TimTec1_008221 CCC(=O)c1[nH]c(C)c(C(=O)CC)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F16 compound treatment 0.265 0.0229 0.85 0.853 1.0 3212791 TimTec1_008222 Cc1ccc(SCCC(=O)N2CCC(CC2)C(=O)N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F17 compound treatment 0.263 0.0209 0.78 0.7786 1.0 3087204 TimTec1_008223 Cc1ccc(NC(=O)C2(CCCC2)c3ccccc3)nc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F18 compound treatment 0.269 0.0269 1.0 1.0018 1.0 3212792 TimTec1_008224 Cn1c(NCc2ccccc2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F19 compound treatment 0.262 0.0199 0.74 0.7414 1.0 3212793 TimTec1_008225 CCOc1ccc2[nH]c(=O)c(cc2c1)C(N3CCCCC3)c4nnnn4CCOC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F20 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3087205 TimTec1_008226 O=C(Cc1ccccc1)Nc2ccc3COC(=O)c3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F21 compound treatment 0.273 0.0309 1.15 1.1506 1.0 3087206 TimTec1_008227 CN1CCc2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F22 compound treatment 0.251 0.00893 0.33 0.3323 1.0 1361247 TimTec1_008228 CC1CCN(CC1)C(=O)Cn2cc(C#N)c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F23 mock treatment 0.251 0.00893 0.33 0.3323 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 F24 mock treatment 0.249 0.00693 0.26 0.2579 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G01 compound treatment 0.238 -0.00407 -0.15 -0.1513 -1.0 3212794 TimTec1_008229 Cc1cc(O)c2n(Cc3ccccc3Cl)nc[n+]2n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G02 compound treatment 0.244 0.00193 0.07 0.0719 1.0 3087207 TimTec1_008230 CCN(Cc1ccccc1)C(=O)C2CCN(Cc3ccc(cc3)C(F)(F)F)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G03 compound treatment 0.278 0.0359 1.34 1.3365 1.0 3212795 TimTec1_008231 COC(=O)c1cc(no1)c2ccccn2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G04 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3212865 TimTec1_008232 COc1ccc(Nc2nc(cs2)C(=O)N3CCN(C)CC3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G05 compound treatment 0.254 0.0119 0.44 0.4439 1.0 3087208 TimTec1_008233 OC(=O)CCN1Cc2ccccc2C1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G06 compound treatment 0.25 0.00793 0.3 0.2951 1.0 1455909 TimTec1_008234 Cc1nc2ccc(N)cc2c(O)c1CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G07 compound treatment 0.252 0.00993 0.37 0.3695 1.0 3212866 TimTec1_008235 O=C(NCc1cccs1)C(C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G08 compound treatment 0.253 0.0109 0.41 0.4067 1.0 1593691 TimTec1_008236 O=C(N1CCC(C1)c2ccccc2)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G09 compound treatment 0.296 0.0539 2.01 2.0061 1.0 1260979 TimTec1_008237 CCCCC1CCC(CC1)C2CCC(CC2)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G10 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3212867 TimTec1_008238 C(CC(c1ccco1)c2ccccc2)NCc3cccs3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G11 compound treatment 0.262 0.0199 0.74 0.7414 1.0 3087209 TimTec1_008239 CCOc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G12 compound treatment 0.266 0.0239 0.89 0.8902 1.0 3212868 TimTec1_008240 CCCC1CC(CCO1)c2csc(C)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G13 compound treatment 0.261 0.0189 0.7 0.7042 1.0 1554032 TimTec1_008241 COc1ccc(Br)cc1CNc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G14 compound treatment 0.245 0.00293 0.11 0.1091 1.0 1199876 TimTec1_008242 CCC1(C)CC(CCO1)C(CCN)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G15 compound treatment 0.259 0.0169 0.63 0.6298 1.0 1627384 TimTec1_008243 C(CN1CCOCC1)Nc2nc(nc3ccccc23)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G16 compound treatment 0.249 0.00693 0.26 0.2579 1.0 3087210 TimTec1_008244 COc1ccc(CNCc2ccncc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G17 compound treatment 0.265 0.0229 0.85 0.853 1.0 3212869 TimTec1_008245 Cc1cc2c(ncnc2s1)N3CCC(CC3)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G18 compound treatment 0.262 0.0199 0.74 0.7414 1.0 1721079 TimTec1_008246 COc1ccc(NC(CC=C)c2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G19 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3212870 TimTec1_008247 CC(C)(C)NC(=O)C(C(=O)c1ccccc1)n2ccccc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G20 compound treatment 0.253 0.0109 0.41 0.4067 1.0 1431012 TimTec1_008248 Clc1ccccc1CNCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G21 compound treatment 0.25 0.00793 0.3 0.2951 1.0 3212871 TimTec1_008249 CN(Cc1ccccc1)Cc2ccccc2F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G22 compound treatment 0.252 0.00993 0.37 0.3695 1.0 3087211 TimTec1_008250 COc1cccc(CNCC(C)O)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G23 mock treatment 0.246 0.00393 0.15 0.1463 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 G24 mock treatment 0.237 -0.00507 -0.19 -0.1885 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H01 compound treatment 0.241 -0.00107 -0.04 -0.0397 -1.0 1585571 TimTec1_008251 OC(=O)CSCC(=O)N1CCCCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H02 compound treatment 0.246 0.00393 0.15 0.1463 1.0 3212872 TimTec1_008252 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C32C(=O)N(CCc4ccccc4)c5ccccc53)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H03 compound treatment 0.249 0.00693 0.26 0.2579 1.0 1125791 TimTec1_008253 O=C(C(c1ccccc1)c2ccccc2)N3CCNCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H04 compound treatment 0.316 0.0739 2.75 2.75 1.0 3212873 TimTec1_008254 OC1=C(C(NC1=O)c2ccccc2)C(=O)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H05 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3087212 TimTec1_008255 OC(=O)CN1CCC(CC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H06 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3212874 TimTec1_008256 CC1(C)Cc2c(C#N)c(NC(=O)Cc3ccccc3)sc2C(C)(C)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H07 compound treatment 0.269 0.0269 1.0 1.0018 1.0 3087213 TimTec1_008257 CC(C)OC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H08 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3212875 TimTec1_008258 CC(C)OC(=O)Cn1cc(C#N)c2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H09 compound treatment 0.26 0.0179 0.67 0.667 1.0 1699078 TimTec1_008259 Oc1c(CN2CCOCC2)ccc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H10 compound treatment 0.251 0.00893 0.33 0.3323 1.0 3212876 TimTec1_008260 NC1=C(C#N)C2(C(=O)N(CCc3ccccc3)c4ccccc42)C(=C(N)S1)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H11 compound treatment 0.256 0.0139 0.52 0.5183 1.0 1431998 TimTec1_008261 Brc1ccc2n(CCC#N)c(=O)oc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H12 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3212877 TimTec1_008262 CC1CCCC(C)N1C(=O)Cc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H13 compound treatment 0.252 0.00993 0.37 0.3695 1.0 1131527 TimTec1_008263 CC1(C)Cc2ccccc2C(CC=C)N1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H14 compound treatment 0.252 0.00993 0.37 0.3695 1.0 1862477 TimTec1_008264 CC(C)C(=O)Nc1ccc(CN2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H15 compound treatment 0.261 0.0189 0.7 0.7042 1.0 1243642 TimTec1_008265 OC(=O)C(Cc1ccc(F)cc1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H16 compound treatment 0.258 0.0159 0.59 0.5926 1.0 1432046 TimTec1_008266 CCc1cc2c(NCCO)ncnc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H17 compound treatment 0.262 0.0199 0.74 0.7414 1.0 1786471 TimTec1_008267 CN1CCN(CC2COc3ccccc3O2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H18 compound treatment 0.252 0.00993 0.37 0.3695 1.0 3087214 TimTec1_008268 C=CCn1c(NCc2ccccc2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H19 compound treatment 0.258 0.0159 0.59 0.5926 1.0 1125869 TimTec1_008269 Brc1ccc(OCC(=O)OCC(=O)c2ccccc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H20 compound treatment 0.25 0.00793 0.3 0.2951 1.0 1178508 TimTec1_008270 CCC(=O)OC1(C(C)CN(C)CC1C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H21 compound treatment 0.259 0.0169 0.63 0.6298 1.0 3212878 TimTec1_008271 COCc1[nH]nc2OC(=C(C#N)C(c12)c3ccc(OCC(=O)N)c(OC)c3)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H22 compound treatment 0.381 0.139 5.17 5.1676 1.0 1513547 TimTec1_008272 COc1cccc2c(=O)c3n(C)ncc3n(C)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H23 mock treatment 0.252 0.00993 0.37 0.3695 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 H24 mock treatment 0.239 -0.00307 -0.11 -0.1141 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I01 compound treatment 0.264 0.0219 0.82 0.8158 1.0 1283957 TimTec1_008273 CC(=O)Nc1ccccc1c2nc3ccccc3s2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I02 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3087215 TimTec1_008274 CC(C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I03 compound treatment 0.261 0.0189 0.7 0.7042 1.0 3212879 TimTec1_008275 COC(=O)c1cc(no1)c2ccccc2C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I04 compound treatment 0.247 0.00493 0.18 0.1835 1.0 3212880 TimTec1_008276 Cc1ccc(Nc2nc(cs2)C(=O)N(CC=C)CC=C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I05 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3087216 TimTec1_008277 OC(=O)CC(CC(=O)Nc1nncs1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I06 compound treatment 0.266 0.0239 0.89 0.8902 1.0 3212881 TimTec1_008278 OC(=O)c1cc(on1)c2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I07 compound treatment 0.25 0.00793 0.3 0.2951 1.0 3087217 TimTec1_008279 CCC(=O)Nc1cc(ccc1N2CCOCC2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I08 compound treatment 0.25 0.00793 0.3 0.2951 1.0 3212882 TimTec1_008280 CC(=O)OC1CCCCC1C2=CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I09 compound treatment 0.256 0.0139 0.52 0.5183 1.0 1632793 TimTec1_008281 Cc1sc2ncnc(Nc3ccccc3)c2c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I10 compound treatment 0.265 0.0229 0.85 0.853 1.0 3212883 TimTec1_008282 CCCCc1nc2ccccc2c(N)c1CC.OCC(O)C1OC(=O)C(=C1O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I11 compound treatment 0.29 0.0479 1.78 1.7829 1.0 1288391 TimTec1_008283 CC1CCCC(C1)OC(=O)C2=C(C)N(C)C(=O)NC2c3ccccc3Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I12 compound treatment 0.26 0.0179 0.67 0.667 1.0 3087218 TimTec1_008284 CCN(CC)CCCOc1cccc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I13 compound treatment 0.443 0.201 7.47 7.4737 1.0 3087219 TimTec1_008285 CCCC1C(=C(N)SC(=C1C#N)N)C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I14 compound treatment 0.25 0.00793 0.3 0.2951 1.0 3212884 TimTec1_008286 Cc1nn(CC=C)cc1Cc2cn(CC=C)nc2C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I15 compound treatment 0.307 0.0649 2.42 2.4152 1.0 3212885 TimTec1_008287 CCc1ccc(cc1)C2N(CC3CCCO3)C(=O)C(=C2C(=O)c4ccco4)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I16 compound treatment 0.255 0.0129 0.48 0.4811 1.0 1437719 TimTec1_008288 C=CCC(NCCc1ccccc1)c2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I17 compound treatment 0.262 0.0199 0.74 0.7414 1.0 3087220 TimTec1_008289 OC(=O)c1cc2[nH]c3CCCCc3c2cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I18 compound treatment 0.257 0.0149 0.56 0.5554 1.0 3212886 TimTec1_008290 CC1(C)CC(CC(C)(C)N1)NCc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I19 compound treatment 0.267 0.0249 0.93 0.9274 1.0 3211182 TimTec1_008291 O=C(NCc1ccccc1)C(C(=O)c2ccccc2)n3ccccc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I20 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3087221 TimTec1_008292 Fc1ccc(CNCCN2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I21 compound treatment 0.252 0.00993 0.37 0.3695 1.0 3211183 TimTec1_008293 COc1cccc(CN2CCC(CC2)C(=O)N3CCc4ccccc4C3)c1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I22 compound treatment 0.254 0.0119 0.44 0.4439 1.0 1485172 TimTec1_008294 CCN(CC)CCNC1CCN(C)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I23 mock treatment 0.257 0.0149 0.56 0.5554 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 I24 mock treatment 0.243 9.33E-4 0.03 0.0347 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J01 compound treatment 0.246 0.00393 0.15 0.1463 1.0 1316790 TimTec1_008295 CC1CCCC(C)N1C(=O)CCC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J02 compound treatment 0.26 0.0179 0.67 0.667 1.0 1111854 TimTec1_008296 Cc1ccc2[nH]c(nc2c1)c3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J03 compound treatment 0.252 0.00993 0.37 0.3695 1.0 3211184 TimTec1_008297 OC(=O)C1CC=CCC1C(=O)NCc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J04 compound treatment 0.251 0.00893 0.33 0.3323 1.0 3087222 TimTec1_008298 Clc1ccc(OCCn2ccccc2=O)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J05 compound treatment 0.254 0.0119 0.44 0.4439 1.0 3211185 TimTec1_008299 CC(C)(C)C1CC(n2nc(cc2N1)C(=O)O)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J06 compound treatment 0.258 0.0159 0.59 0.5926 1.0 3087264 TimTec1_008300 CC1(CC2CC(C)(C)C1)CN2C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J07 compound treatment 0.247 0.00493 0.18 0.1835 1.0 1784956 TimTec1_008301 CCCCC(CC)C(=O)Nc1ccc(C#N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J08 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3087265 TimTec1_008302 CCOc1cc(CO)ccc1OCC(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J09 compound treatment 0.245 0.00293 0.11 0.1091 1.0 3087266 TimTec1_008303 O=C(Nc1nonc1OCCOc2nonc2NC(=O)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J10 compound treatment 0.264 0.0219 0.82 0.8158 1.0 3087267 TimTec1_008304 N#Cc1cn(CCCOc2ccccc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J11 compound treatment 0.235 -0.00707 -0.26 -0.2628 -1.0 1740843 TimTec1_008305 CCOC(=O)C1=C(N)c2ccccc2CC31CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J12 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3087268 TimTec1_008306 CCOC(=O)[C@@H]1CSC(N1)c2ccc(OC)c(OC)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J13 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3087269 TimTec1_008307 CC(=O)Nc1nc2nc(cc(O)n2n1)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J14 compound treatment 0.252 0.00993 0.37 0.3695 1.0 3211186 TimTec1_008308 CCCn1nnc(NC(=O)COc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J15 compound treatment 0.25 0.00793 0.3 0.2951 1.0 1488887 TimTec1_008309 CC1(C)CC(=CC(C)(C)N1)c2c[nH]c(c2)C3=CC(C)(C)NC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J16 compound treatment 0.254 0.0119 0.44 0.4439 1.0 3087270 TimTec1_008310 Oc1ncnc2n(Cc3ccc(F)cc3)nnc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J17 compound treatment 0.26 0.0179 0.67 0.667 1.0 1236834 TimTec1_008311 CC(=O)NC1CCC(C1)(C(=O)O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J18 compound treatment 0.251 0.00893 0.33 0.3323 1.0 1179590 TimTec1_008312 CCC(CO)NC(=O)c1cc2sc3ccccc3c2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J19 compound treatment 0.259 0.0169 0.63 0.6298 1.0 1729523 TimTec1_008313 Cc1nc(C)c(CC=C)c(NCCO)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J20 compound treatment 0.329 0.0869 3.23 3.2335 1.0 3087271 TimTec1_008314 Cc1ccc(NCc2ccc(O)c3ncccc23)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J21 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3211187 TimTec1_008315 Nc1c(C#N)sc2nc(cc(c12)C(F)(F)F)c3ccncc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J22 compound treatment 0.248 0.00593 0.22 0.2207 1.0 3087272 TimTec1_008316 O=C(CS(=O)(=O)Cc1ccccc1)Nc2nccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J23 mock treatment 0.249 0.00693 0.26 0.2579 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 J24 mock treatment 0.236 -0.00607 -0.23 -0.2256 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K01 compound treatment 0.265 0.0229 0.85 0.853 1.0 3211188 TimTec1_008317 O=C(Nc1cccnc1)c2cc(on2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K02 compound treatment 0.248 0.00593 0.22 0.2207 1.0 3211189 TimTec1_008318 COc1ccc(CN2CCC(CC2)C(=O)NC3CCCC3)cc1OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K03 compound treatment 0.251 0.00893 0.33 0.3323 1.0 1391647 TimTec1_008319 COC(=O)c1cc(no1)c2ccc(OCc3ccccc3)c(OC)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K04 compound treatment 0.254 0.0119 0.44 0.4439 1.0 1291005 TimTec1_008320 CC(C)NC(=O)CC1Nc2ccccc2NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K05 compound treatment 0.265 0.0229 0.85 0.853 1.0 3087273 TimTec1_008321 OC(=O)C(N1CCCCC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K06 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3211190 TimTec1_008322 Nc1ncc(c2ccccc2)n1CC3CCCO3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K07 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3211191 TimTec1_008323 C(NCc1ccco1)C2CC3CC2C=C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K08 compound treatment 0.261 0.0189 0.7 0.7042 1.0 3087274 TimTec1_008324 CC(Sc1ccc(C)cc1)C(=O)NCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K09 compound treatment 0.258 0.0159 0.59 0.5926 1.0 3211192 TimTec1_008325 COC(=O)C1=C(C)C(NC(=O)N1)c2ccc(OC)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K10 compound treatment 0.251 0.00893 0.33 0.3323 1.0 3087275 TimTec1_008326 CC1COC(OC1)C2C(C)CC(=CC2C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K11 compound treatment 0.316 0.0739 2.75 2.75 1.0 1256258 TimTec1_008327 O=C(CN1C(=O)c2ccccc2C1=O)Oc3ccc4ccccc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K12 compound treatment 0.25 0.00793 0.3 0.2951 1.0 1145508 TimTec1_008328 CC(CC1OCC(CN2CCCCC2)O1)CC(C)(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K13 compound treatment 0.264 0.0219 0.82 0.8158 1.0 1142153 TimTec1_008329 COC(=O)c1ccc(CNC(C)(C)C)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K14 compound treatment 0.248 0.00593 0.22 0.2207 1.0 1277743 TimTec1_008330 CCC1(C)CC(CCN)(CCO1)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K15 compound treatment 0.263 0.0209 0.78 0.7786 1.0 1433041 TimTec1_008331 OC(=O)c1c(sc2CCCCc12)n3cccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K16 compound treatment 0.257 0.0149 0.56 0.5554 1.0 1402408 TimTec1_008332 NC(Cc1ccccc1)C(O)(CC=C)CC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K17 compound treatment 0.262 0.0199 0.74 0.7414 1.0 3211193 TimTec1_008333 Cc1ccc(C(=O)NCc2ccco2)c(C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K18 compound treatment 0.257 0.0149 0.56 0.5554 1.0 1696859 TimTec1_008334 C(NCc1ccc2OCOc2c1)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K19 compound treatment 0.26 0.0179 0.67 0.667 1.0 3211194 TimTec1_008335 O=C(NC1CCCCC1)C(C(=O)c2ccccc2)n3ccccc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K20 compound treatment 0.251 0.00893 0.33 0.3323 1.0 1125091 TimTec1_008336 CCc1ccc(CNCC2CCCO2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K21 compound treatment 0.251 0.00893 0.33 0.3323 1.0 3211195 TimTec1_008337 CCN(CC)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K22 compound treatment 0.248 0.00593 0.22 0.2207 1.0 3087276 TimTec1_008338 CC(N1CCNCC1)c2ccc(C)c(C)c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K23 mock treatment 0.253 0.0109 0.41 0.4067 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 K24 mock treatment 0.248 0.00593 0.22 0.2207 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L01 compound treatment 0.242 -6.67E-5 0.0 -0.0025 -1.0 1503250 TimTec1_008339 COc1ccccc1C(=O)N2CCNCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L02 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3087277 TimTec1_008340 Clc1cccc(CNCc2ccco2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L03 compound treatment 0.253 0.0109 0.41 0.4067 1.0 1788809 TimTec1_008341 OC(=O)CCCC(=O)Nc1ccccc1n2ccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L04 compound treatment 0.249 0.00693 0.26 0.2579 1.0 3211196 TimTec1_008342 O=C(CCCOc1ccccc1)Nc2nncs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L05 compound treatment 0.257 0.0149 0.56 0.5554 1.0 3087278 TimTec1_008343 CCc1ccc(cc1)c2nc(N)sc2CC(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L06 compound treatment 0.262 0.0199 0.74 0.7414 1.0 3211197 TimTec1_008344 CCCC(=O)N(CC)Cc1cc2cc(OC)ccc2nc1O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L07 compound treatment 0.251 0.00893 0.33 0.3323 1.0 3087279 TimTec1_008345 FC(F)(F)C(=O)N1CCN(CC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L08 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3211198 TimTec1_008346 C(N1CCN(CC1)c2ccccn2)c3cn4ccccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L09 compound treatment 0.277 0.0349 1.3 1.2993 1.0 1481135 TimTec1_008347 COC(=O)c1ccc(Oc2cc(cc(c2)C(=O)OC)C(=O)OC)c(N)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L10 compound treatment 0.257 0.0149 0.56 0.5554 1.0 1245186 TimTec1_008348 CC1CCCCN1C(=O)Cn2c(C)c(C#N)c3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L11 compound treatment 0.258 0.0159 0.59 0.5926 1.0 1471585 TimTec1_008349 O=S(=O)(c1nc(oc1N2CCCCC2)c3ccco3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L12 compound treatment 0.255 0.0129 0.48 0.4811 1.0 3087280 TimTec1_008350 CN1CCC(CC1)OC(=O)c2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L13 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3087281 TimTec1_008351 CCc1ccc(nc1)c2ccc(C#N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L14 compound treatment 0.258 0.0159 0.59 0.5926 1.0 3211199 TimTec1_008352 CCCOc1cccc(c1)C(=O)Nc2nnn(C)n2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L15 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3087282 TimTec1_008353 CCOC(=O)c1ncn2c1C(=O)OC2(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L16 compound treatment 0.278 0.0359 1.34 1.3365 1.0 3211200 TimTec1_008354 Cc1ccc(cc1)C2SC(=O)NC3=C2C(=O)c4ccccc34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L17 compound treatment 0.265 0.0229 0.85 0.853 1.0 1784411 TimTec1_008355 CN(C)CC(O)COc1cccc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L18 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3211201 TimTec1_008356 COC(=O)Cn1c(Cc2ccccc2)nc3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L19 compound treatment 0.259 0.0169 0.63 0.6298 1.0 3211386 TimTec1_008357 CCCc1nc2sc3CCCCc3c2c(=O)[nH]1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L20 compound treatment 0.312 0.0699 2.6 2.6012 1.0 3087283 TimTec1_008358 COc1cccc(NCc2ccc(O)c3ncccc23)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L21 compound treatment 0.271 0.0289 1.08 1.0762 1.0 1186739 TimTec1_008359 Nc1ccc(cc1N2CCCCC2)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L22 compound treatment 0.254 0.0119 0.44 0.4439 1.0 3087284 TimTec1_008360 CC1CCc2c(NCCC3CCCN3C)n4ncnc4nc2C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L23 mock treatment 0.249 0.00693 0.26 0.2579 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 L24 mock treatment 0.245 0.00293 0.11 0.1091 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M01 compound treatment 0.225 -0.0171 -0.63 -0.6348 -1.0 3211387 TimTec1_008361 O=C(N1CCCC1)c2cc(on2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M02 compound treatment 0.248 0.00593 0.22 0.2207 1.0 3211388 TimTec1_008362 COc1cccc(CN2CCC(CC2)C(=O)NC(C)C)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M03 compound treatment 0.252 0.00993 0.37 0.3695 1.0 1578709 TimTec1_008363 CC(C)Oc1snc(Cl)c1C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M04 compound treatment 0.288 0.0459 1.71 1.7085 1.0 1479613 TimTec1_008364 CCOC(=O)c1cc(CC)sc1NC(=O)CC2Nc3ccccc3NC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M05 compound treatment 0.258 0.0159 0.59 0.5926 1.0 3087285 TimTec1_008365 Cc1ccc(OCC(=O)Oc2ccccn2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M06 compound treatment 0.26 0.0179 0.67 0.667 1.0 3211389 TimTec1_008366 OC(=O)C1C2OC3(CN(Cc4ccncc4)C(=O)C13)C=C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M07 compound treatment 0.23 -0.0121 -0.45 -0.4488 -1.0 1127485 TimTec1_008367 OC(=O)CC1Nc2ccccc2NC1=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M08 compound treatment 0.249 0.00693 0.26 0.2579 1.0 1124983 TimTec1_008368 CCC(=O)N(CCC(C1CCOC(C)(C)C1)c2ccccc2)Cc3ccc(OC)cc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M09 compound treatment 0.251 0.00893 0.33 0.3323 1.0 3087286 TimTec1_008369 COC(=O)CN1C(c2ccccc2)c3cc(Br)ccc3N=C1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M10 compound treatment 0.252 0.00993 0.37 0.3695 1.0 3211390 TimTec1_008370 CCn1ncc(Cc2cnn(CC)c2C)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M11 compound treatment 0.29 0.0479 1.78 1.7829 1.0 3211391 TimTec1_008371 OC(=O)c1cccc(c1)c2ccc(/C=C\3/SC(=O)N(C3=O)c4ccccc4)o2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M12 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3087287 TimTec1_008372 CC1=CCC2COC(C1C2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M13 compound treatment 0.26 0.0179 0.67 0.667 1.0 1012735 TimTec1_008373 CCOC(=O)c1c(C)[nH]c(C(=O)O)c1C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M14 compound treatment 0.249 0.00693 0.26 0.2579 1.0 3211392 TimTec1_008374 Cc1ccccc1CNCc2cccnc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M15 compound treatment 0.247 0.00493 0.18 0.1835 1.0 3087288 TimTec1_008375 CN1CCN(CC1)C(=O)Cc2ccc(F)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M16 compound treatment 0.265 0.0229 0.85 0.853 1.0 1676992 TimTec1_008376 CNCC(O)COc1cccc(OC)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M17 compound treatment 0.308 0.0659 2.45 2.4524 1.0 3211393 TimTec1_008377 O=C(NCc1ccc(cc1)c2nc3ccccc3s2)c4cccnc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M18 compound treatment 0.256 0.0139 0.52 0.5183 1.0 3087289 TimTec1_008378 Cc1ccc(CNCCN2CCOCC2)o1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M19 compound treatment 0.248 0.00593 0.22 0.2207 1.0 3211394 TimTec1_008379 CN(Cc1cn[nH]c1c2ccc(C)cc2)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M20 compound treatment 0.25 0.00793 0.3 0.2951 1.0 1168279 TimTec1_008380 CN1CCC(CC1)NCc2ccccc2Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M21 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3211395 TimTec1_008381 CCN(Cc1ccccc1)C(=O)C2CCN(Cc3ccc(OC)cc3)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M22 compound treatment 0.254 0.0119 0.44 0.4439 1.0 3087290 TimTec1_008382 OC(=O)CCC(=O)Nc1ccc(CN2CCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M23 mock treatment 0.245 0.00293 0.11 0.1091 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 M24 mock treatment 0.234 -0.00807 -0.3 -0.3 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N01 compound treatment 0.245 0.00293 0.11 0.1091 1.0 3211396 TimTec1_008383 CC(O)CNCc1cccc2ccccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N02 compound treatment 0.249 0.00693 0.26 0.2579 1.0 3087291 TimTec1_008384 C(NCc1cccc2ccccc12)c3ccco3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N03 compound treatment 0.25 0.00793 0.3 0.2951 1.0 3211397 TimTec1_008385 CC(=O)N1C(Cc2c([nH]c3ccccc23)C1(C)C)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N04 compound treatment 0.241 -0.00107 -0.04 -0.0397 -1.0 3087292 TimTec1_008386 CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N05 compound treatment 0.277 0.0349 1.3 1.2993 1.0 1389054 TimTec1_008387 C1CN(CCO1)c2cc(nc(n2)c3ccccc3)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N06 compound treatment 0.272 0.0299 1.11 1.1134 1.0 1256237 TimTec1_008388 Nc1ccc2nc(CCCc3nc4ccc(N)cc4s3)sc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N07 compound treatment 0.265 0.0229 0.85 0.853 1.0 1651407 TimTec1_008389 CCOC(=O)c1ccc(cc1)N2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N08 compound treatment 0.244 0.00193 0.07 0.0719 1.0 3087340 TimTec1_008390 FC(F)(F)c1cccc(NCc2cn3ccccc3n2)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N09 compound treatment 0.29 0.0479 1.78 1.7829 1.0 1133793 TimTec1_008391 NC(=S)c1cc2cccc(CC=C)c2oc1=N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N10 compound treatment 0.297 0.0549 2.04 2.0432 1.0 3087341 TimTec1_008392 Oc1ccc(CNc2cccc(Cl)c2)c3cccnc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N11 compound treatment 0.24 -0.00207 -0.08 -0.0769 -1.0 1331799 TimTec1_008393 O=C(N1CCCn2c1nc3ccccc23)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N12 compound treatment 0.247 0.00493 0.18 0.1835 1.0 3087342 TimTec1_008394 COc1ccc(cc1)C(=O)OC(C)CN2CCN(C)CC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N13 compound treatment 0.255 0.0129 0.48 0.4811 1.0 1365632 TimTec1_008395 OC1=C(C(C2=C(O)CCCC2=O)c3ccccc3)C(=O)CCC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N14 compound treatment 0.245 0.00293 0.11 0.1091 1.0 3211398 TimTec1_008396 CCCC(=O)Nc1ccc2oc(=O)ccc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N15 compound treatment 0.242 -6.67E-5 0.0 -0.0025 -1.0 1175335 TimTec1_008397 OC1(C#CCN2CCCCC2)C3CCCC3c4ccccc41 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N16 compound treatment 0.256 0.0139 0.52 0.5183 1.0 1871509 TimTec1_008398 CCNc1nnc(s1)c2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N17 compound treatment 0.254 0.0119 0.44 0.4439 1.0 1297935 TimTec1_008399 CSc1nc(C)c(CC=C)c(Nc2ccccc2)n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N18 compound treatment 0.251 0.00893 0.33 0.3323 1.0 3087343 TimTec1_008400 Clc1ccc(OCC(=O)n2cnnc2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N19 compound treatment 0.284 0.0419 1.56 1.5597 1.0 1787965 TimTec1_008401 COc1cc(ccc1OCc2ccccc2)c3cc(C#N)on3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N20 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3087344 TimTec1_008402 COc1ccc(cc1OC)C(=O)OCC(=O)Nc2sc3CCCc3c2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N21 compound treatment 0.272 0.0299 1.11 1.1134 1.0 3211399 TimTec1_008403 CC(C)N1CCCc2cc(CN)ccc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N22 compound treatment 0.246 0.00393 0.15 0.1463 1.0 1235712 TimTec1_008404 CC1=C(C(c2ccco2)c3c(N)c(C#N)sc3N1)C(=O)OCC=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N23 mock treatment 0.248 0.00593 0.22 0.2207 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 N24 mock treatment 0.237 -0.00507 -0.19 -0.1885 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O01 compound treatment 0.231 -0.0111 -0.41 -0.4116 -1.0 3087345 TimTec1_008405 CCc1c(C)sc(NC(=O)c2cc(on2)c3ccccc3)c1C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O02 compound treatment 0.243 9.33E-4 0.03 0.0347 1.0 3211400 TimTec1_008406 CCOC(=O)C1CCN(CC1)C(=O)C(C(=O)c2ccccc2)n3ccccc3=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O03 compound treatment 0.244 0.00193 0.07 0.0719 1.0 1120969 TimTec1_008407 OCC(NCc1ccccc1)C#CCN2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O04 compound treatment 0.245 0.00293 0.11 0.1091 1.0 3211401 TimTec1_008408 Clc1c(sc2ccccc12)C(=O)N(CC#N)CC#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O05 compound treatment 0.247 0.00493 0.18 0.1835 1.0 3087346 TimTec1_008409 Cc1cccc(c1)C(=O)OCCN2CCOCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O06 compound treatment 0.25 0.00793 0.3 0.2951 1.0 1523381 TimTec1_008410 NCCc1c([nH]c2ccc(Br)cc12)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O07 compound treatment 0.25 0.00793 0.3 0.2951 1.0 3087347 TimTec1_008411 CC1CCCC(C)N1Cc2ccc(N)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O08 compound treatment 0.248 0.00593 0.22 0.2207 1.0 1667083 TimTec1_008412 CCOC(=O)CC1(O)CCOC(C)(C)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O09 compound treatment 0.253 0.0109 0.41 0.4067 1.0 1350048 TimTec1_008413 OC(=O)CCCC(=O)Nc1nccs1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O10 compound treatment 0.248 0.00593 0.22 0.2207 1.0 3087348 TimTec1_008414 CC1=CCC(CC1)C2OCC3CC=C(C)C2C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O11 compound treatment 0.246 0.00393 0.15 0.1463 1.0 1227036 TimTec1_008415 C(NCc1ccco1)C2OCc3ccccc3CO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O12 compound treatment 0.242 -6.67E-5 0.0 -0.0025 -1.0 3211402 TimTec1_008416 COc1ccc(cc1)C(CCNCc2ccccc2)C3CCOC(C)(C)C3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O13 compound treatment 0.264 0.0219 0.82 0.8158 1.0 1661425 TimTec1_008417 CCc1ccccc1NC(=O)CC2Nc3ccccc3NC2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O14 compound treatment 0.247 0.00493 0.18 0.1835 1.0 1171536 TimTec1_008418 CC(C)(C)c1ccc(CNCc2ccco2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O15 compound treatment 0.245 0.00293 0.11 0.1091 1.0 3211403 TimTec1_008419 Cc1ccc(cc1)N2CC(CC2=O)C(=O)NCc3ccccn3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O16 compound treatment 0.258 0.0159 0.59 0.5926 1.0 1064846 TimTec1_008420 COc1ccccc1CNCc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O17 compound treatment 0.249 0.00693 0.26 0.2579 1.0 3211404 TimTec1_008421 CCN(CC)C(=O)C(C(=O)c1ccccc1)n2cc(Cl)ccc2=O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O18 compound treatment 0.253 0.0109 0.41 0.4067 1.0 3087349 TimTec1_008422 CCOc1ccccc1CNC2CC(C)(C)NC(C)(C)C2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O19 compound treatment 0.241 -0.00107 -0.04 -0.0397 -1.0 3211482 TimTec1_008423 OCCN(Cc1cn[nH]c1c2ccc(F)cc2)Cc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O20 compound treatment 0.245 0.00293 0.11 0.1091 1.0 3087350 TimTec1_008424 NCC(N1CCOCC1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O21 compound treatment 0.247 0.00493 0.18 0.1835 1.0 3211483 TimTec1_008425 COc1ccc(CN2CCC(CC2)C(=O)NCc3ccc(C)cc3)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O22 compound treatment 0.262 0.0199 0.74 0.7414 1.0 3087351 TimTec1_008426 CC(C)C1NC(Cc2c1[nH]c3ccccc23)C(=O)O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O23 mock treatment 0.244 0.00193 0.07 0.0719 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 O24 mock treatment 0.227 -0.0151 -0.56 -0.5604 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P01 compound treatment 0.19 -0.0521 -1.94 -1.9366 -1.0 3211484 TimTec1_008427 CN1CCN(CC1)C(=O)C2CCC(C)(C(=O)O)C2(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P02 compound treatment 0.218 -0.0241 -0.9 -0.8952 -1.0 1580692 TimTec1_008428 Fc1ccc(NC(=O)COc2ccc(cc2)N3CC(CC3=O)C(=O)NCC=C)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P03 compound treatment 0.236 -0.00607 -0.23 -0.2256 -1.0 3087352 TimTec1_008429 Nc1ccc(CN2CCCCCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P04 compound treatment 0.245 0.00293 0.11 0.1091 1.0 3087353 TimTec1_008430 Cc1cc(OCC(=O)Nc2nnn(C)n2)ccc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P05 compound treatment 0.227 -0.0151 -0.56 -0.5604 -1.0 1521332 TimTec1_008431 CC(C)C1CC(CCN)(Cc2ccccc2)CCO1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P06 compound treatment 0.239 -0.00307 -0.11 -0.1141 -1.0 3087354 TimTec1_008432 Cc1ccc(CC2SC(=O)NC2=O)cc1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P07 compound treatment 0.231 -0.0111 -0.41 -0.4116 -1.0 1530249 TimTec1_008433 Oc1ccnc2cccc(Cc3ccccc3)c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P08 compound treatment 0.263 0.0209 0.78 0.7786 1.0 1360748 TimTec1_008434 Cc1nc2sccn2c1c3csc(NCc4ccco4)n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P09 compound treatment 0.234 -0.00807 -0.3 -0.3 -1.0 1231944 TimTec1_008435 CCOC(=O)C1C(C(C1c2ccccc2)C(=O)OCC)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P10 compound treatment 0.307 0.0649 2.42 2.4152 1.0 3211485 TimTec1_008436 Oc1ccc(CNc2ccc(F)cc2)c3cccnc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P11 compound treatment 0.236 -0.00607 -0.23 -0.2256 -1.0 1543749 TimTec1_008437 Cc1ccccc1OCC2Cn3c(O2)nc4n(C)c(=O)[nH]c(=O)c34 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P12 compound treatment 0.221 -0.0211 -0.78 -0.7836 -1.0 3087355 TimTec1_008438 CN1CCC(CC1)OC(=O)COc2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P13 compound treatment 0.31 0.0679 2.53 2.5268 1.0 1684258 TimTec1_008439 Cc1c(C)c2cc(ccc2n1Cc3ccccc3)C(=O)Nc4nc[nH]n4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P14 compound treatment 0.234 -0.00807 -0.3 -0.3 -1.0 3087356 TimTec1_008440 O=C(COc1ccccc1)Nc2ccc3oc(=O)ccc3c2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P15 compound treatment 0.227 -0.0151 -0.56 -0.5604 -1.0 1396380 TimTec1_008441 CCC(CO)NC(=O)c1ccc(N)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P16 compound treatment 0.217 -0.0251 -0.93 -0.9324 -1.0 3087357 TimTec1_008442 COc1ccc(cc1)n2cccc2CO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P17 compound treatment 0.224 -0.0181 -0.67 -0.672 -1.0 1269164 TimTec1_008443 CCN1CCN(CCC(=O)Nc2ccccc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P18 compound treatment 0.24 -0.00207 -0.08 -0.0769 -1.0 1595939 TimTec1_008444 COc1ccc(cc1)c2nn(CCC#N)cc2C#N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P19 compound treatment 0.233 -0.00907 -0.34 -0.3372 -1.0 1426447 TimTec1_008445 O=C(NCCN1CCOCC1)c2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P20 compound treatment 0.235 -0.00707 -0.26 -0.2628 -1.0 3087358 TimTec1_008446 CCc1cccc2c(O)c(CN(C)C)c(C)nc12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P21 compound treatment 0.242 -6.67E-5 0.0 -0.0025 -1.0 1501786 TimTec1_008447 Nc1cc(Cl)ccc1N2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P22 compound treatment 0.231 -0.0111 -0.41 -0.4116 -1.0 1517444 TimTec1_008448 CCOC(=O)C1=C(C)NC(=O)C(C(=O)N)C21CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P23 mock treatment 0.232 -0.0101 -0.37 -0.3744 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2086 P24 mock treatment 0.191 -0.0511 -1.9 -1.8994 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A01 compound treatment 0.173 -0.0773 -2.88 0.18 -0.0717 -3.29 -4.3567 -0.9978 1077351 TimTec1_008449 COC(=O)c1cncn1C(C)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A02 mock treatment 0.169 -0.0813 -3.02 0.211 -0.0407 -1.87 -3.4582 -0.973 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A03 compound treatment 0.198 -0.0523 -1.95 0.247 -0.00475 -0.22 -1.53 -0.7812 3211486 TimTec1_008450 CC(=O)N1CCN(CC1)c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A04 mock treatment 0.187 -0.0633 -2.36 0.221 -0.0307 -1.41 -2.6611 -0.9697 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A05 compound treatment 0.206 -0.0443 -1.65 0.229 -0.0227 -1.04 -1.9023 -0.9755 3087359 TimTec1_008451 O=c1sc2ccccc2n1CCOc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A06 mock treatment 0.194 -0.0563 -2.1 0.204 -0.0477 -2.19 -3.0274 -0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A07 compound treatment 0.208 -0.0423 -1.57 0.218 -0.0337 -1.55 -2.2059 -1.0 3087360 TimTec1_008452 CCCN1CCC(CC1)NCc2ccco2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A08 mock treatment 0.201 -0.0493 -1.83 0.23 -0.0217 -1.0 -2.0015 -0.9588 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A09 compound treatment 0.198 -0.0523 -1.95 0.222 -0.0297 -1.36 -2.3394 -0.9848 3211487 TimTec1_008453 CC(C)(C)C(=O)COC(=O)C1CN(C(=O)C1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A10 mock treatment 0.202 -0.0483 -1.8 0.236 -0.0157 -0.72 -1.7809 -0.9195 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A11 compound treatment 0.196 -0.0543 -2.02 0.222 -0.0297 -1.36 -2.392 -0.9816 3087361 TimTec1_008454 Cc1ccc(cc1)c2ccc(C(=O)O)n2C=C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A12 mock treatment 0.214 -0.0363 -1.35 0.23 -0.0217 -1.0 -1.6595 -0.9887 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A13 compound treatment 0.216 -0.0343 -1.28 0.215 -0.0367 -1.68 -2.0926 -0.9907 1686575 TimTec1_008455 CCN(CC)CCC(=O)c1ccc(F)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A14 mock treatment 0.196 -0.0543 -2.02 0.232 -0.0197 -0.9 -2.0682 -0.9342 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A15 compound treatment 0.186 -0.0643 -2.39 0.222 -0.0297 -1.36 -2.655 -0.9643 3211488 TimTec1_008456 O=C(CSc1ccccn1)N2CCN(CC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A16 mock treatment 0.205 -0.0453 -1.69 0.238 -0.0137 -0.63 -1.6372 -0.9098 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A17 compound treatment 0.205 -0.0453 -1.69 0.212 -0.0397 -1.82 -2.479 -0.9993 3087362 TimTec1_008457 Clc1ncn(CCOc2ccccc2)c1Cl 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A18 mock treatment 0.193 -0.0573 -2.13 0.232 -0.0197 -0.9 -2.1471 -0.927 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A19 mock treatment 0.203 -0.0473 -1.76 0.226 -0.0257 -1.18 -2.0784 -0.981 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A20 mock treatment 0.196 -0.0543 -2.02 0.239 -0.0127 -0.58 -1.8416 -0.8756 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A21 mock treatment 0.184 -0.0663 -2.47 0.234 -0.0177 -0.81 -2.3191 -0.8928 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A22 mock treatment 0.209 -0.0413 -1.54 0.232 -0.0197 -0.9 -1.7263 -0.968 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A23 mock treatment 0.174 -0.0763 -2.84 0.209 -0.0427 -1.96 -3.3915 -0.9835 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 A24 mock treatment 0.195 -0.0553 -2.06 0.178 -0.0737 -3.38 -3.8428 -0.9718 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B01 mock treatment 0.194 -0.0563 -2.1 0.227 -0.0247 -1.13 -2.2827 -0.9584 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B02 mock treatment 0.248 -0.00233 -0.09 0.255 0.00325 0.15 0.0441 0.256 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B03 mock treatment 0.259 0.00867 0.32 0.26 0.00825 0.38 0.4953 0.9969 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B04 mock treatment 0.255 0.00467 0.17 0.257 0.00525 0.24 0.293 0.9873 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B05 mock treatment 0.258 0.00767 0.29 0.259 0.00725 0.33 0.4366 0.9972 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B06 mock treatment 0.253 0.00267 0.1 0.252 2.53E-4 0.01 0.0785 0.7841 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B07 mock treatment 0.257 0.00667 0.25 0.258 0.00625 0.29 0.3779 0.9975 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B08 mock treatment 0.265 0.0147 0.55 0.26 0.00825 0.38 0.6531 0.9839 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B09 mock treatment 0.263 0.0127 0.47 0.259 0.00725 0.33 0.5681 0.9853 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B10 mock treatment 0.253 0.00267 0.1 0.253 0.00125 0.06 0.1108 0.9659 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B11 mock treatment 0.255 0.00467 0.17 0.254 0.00225 0.1 0.1958 0.969 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B12 mock treatment 0.254 0.00367 0.14 0.255 0.00325 0.15 0.2019 0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B13 mock treatment 0.264 0.0137 0.51 0.265 0.0133 0.61 0.7887 0.9961 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B14 mock treatment 0.255 0.00467 0.17 0.257 0.00525 0.24 0.293 0.9873 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B15 mock treatment 0.256 0.00567 0.21 0.254 0.00225 0.1 0.2221 0.9458 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B16 mock treatment 0.261 0.0107 0.4 0.262 0.0103 0.47 0.6126 0.9965 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B17 mock treatment 0.264 0.0137 0.51 0.264 0.0123 0.56 0.7563 0.9988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B18 mock treatment 0.252 0.00167 0.06 0.256 0.00425 0.19 0.1817 0.8888 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B19 mock treatment 0.255 0.00467 0.17 0.255 0.00325 0.15 0.2282 0.997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B20 mock treatment 0.253 0.00267 0.1 0.252 2.53E-4 0.01 0.0785 0.7841 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B21 mock treatment 0.256 0.00567 0.21 0.256 0.00425 0.19 0.2869 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B22 mock treatment 0.25 -3.28E-4 -0.01 0.254 0.00225 0.1 0.0643 0.6193 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B23 mock treatment 0.256 0.00567 0.21 0.255 0.00325 0.15 0.2545 0.9855 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 B24 mock treatment 0.198 -0.0523 -1.95 0.23 -0.0217 -1.0 -2.0804 -0.9516 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C01 compound treatment 0.192 -0.0583 -2.17 0.229 -0.0227 -1.04 -2.2705 -0.9435 3211489 TimTec1_008458 OC(c1ccc([nH]1)c2ccccc2)C(F)(F)F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C02 mock treatment 0.245 -0.00533 -0.2 0.246 -0.00575 -0.26 -0.3262 -0.9902 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C03 compound treatment 0.239 -0.0113 -0.42 0.24 -0.0117 -0.54 -0.6783 -0.9927 3087363 TimTec1_008459 NCCCn1c2CCCCc2c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C04 mock treatment 0.246 -0.00433 -0.16 0.246 -0.00575 -0.26 -0.2999 -0.9722 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C05 compound treatment 0.254 0.00367 0.14 0.253 0.00125 0.06 0.1371 0.9257 3211490 TimTec1_008460 Cc1cc(C)c(C#N)c(n1)N2C3CCC2CC(O)(C3)c4ccc(F)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C06 mock treatment 0.242 -0.00833 -0.31 0.244 -0.00775 -0.35 -0.4699 -0.9977 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C07 compound treatment 0.241 -0.00933 -0.35 0.241 -0.0107 -0.49 -0.5933 -0.9854 3087364 TimTec1_008461 Cc1ccccc1CN2CCC(CC2)N3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C08 mock treatment 0.254 0.00367 0.14 0.254 0.00225 0.1 0.1695 0.9904 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C09 compound treatment 0.244 -0.00633 -0.24 0.242 -0.00975 -0.45 -0.482 -0.9553 3211491 TimTec1_008462 FC(F)(F)c1ccc(NCc2cn3ccccc3n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C10 mock treatment 0.246 -0.00433 -0.16 0.242 -0.00975 -0.45 -0.4294 -0.9051 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C11 compound treatment 0.275 0.0247 0.92 0.272 0.0203 0.93 1.3046 1.0 1349387 TimTec1_008463 COc1ccc2n(C)c(C)c(c3csc(N)n3)c2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C12 mock treatment 0.248 -0.00233 -0.09 0.248 -0.00375 -0.17 -0.1825 -0.9498 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C13 compound treatment 0.24 -0.0103 -0.38 0.243 -0.00875 -0.4 -0.5548 -0.9998 3211492 TimTec1_008464 Oc1ccc(cc1)C(=O)OCCCN2CCCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C14 mock treatment 0.244 -0.00633 -0.24 0.242 -0.00975 -0.45 -0.482 -0.9553 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C15 compound treatment 0.244 -0.00633 -0.24 0.245 -0.00675 -0.31 -0.3849 -0.991 3211493 TimTec1_008465 COc1cccc(Cn2c(nc3ccccc23)c4cncs4)c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C16 mock treatment 0.248 -0.00233 -0.09 0.249 -0.00275 -0.13 -0.1502 -0.9834 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C17 compound treatment 0.245 -0.00533 -0.2 0.247 -0.00475 -0.22 -0.2938 -0.9989 3087365 TimTec1_008466 Cc1ccccc1OCCCn2cnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C18 mock treatment 0.248 -0.00233 -0.09 0.25 -0.00175 -0.08 -0.1178 -0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C19 mock treatment 0.237 -0.0133 -0.5 0.239 -0.0127 -0.58 -0.7632 -0.9967 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C20 mock treatment 0.241 -0.00933 -0.35 0.244 -0.00775 -0.35 -0.4962 -0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C21 mock treatment 0.237 -0.0133 -0.5 0.24 -0.0117 -0.54 -0.7309 -0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C22 mock treatment 0.241 -0.00933 -0.35 0.241 -0.0107 -0.49 -0.5933 -0.9854 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C23 mock treatment 0.239 -0.0113 -0.42 0.24 -0.0117 -0.54 -0.6783 -0.9927 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 C24 mock treatment 0.204 -0.0463 -1.72 0.193 -0.0587 -2.69 -3.1205 -0.9768 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D01 mock treatment 0.203 -0.0473 -1.76 0.219 -0.0327 -1.5 -2.305 -0.9968 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D02 mock treatment 0.251 6.72E-4 0.03 0.249 -0.00275 -0.13 -0.0713 -0.5556 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D03 mock treatment 0.252 0.00167 0.06 0.251 -7.47E-4 -0.03 0.0198 0.2787 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D04 mock treatment 0.249 -0.00133 -0.05 0.246 -0.00575 -0.26 -0.221 -0.8254 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D05 mock treatment 0.251 6.72E-4 0.03 0.253 0.00125 0.06 0.0582 0.9308 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D06 mock treatment 0.247 -0.00333 -0.12 0.248 -0.00375 -0.17 -0.2088 -0.9871 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D07 mock treatment 0.259 0.00867 0.32 0.258 0.00625 0.29 0.4305 0.9982 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D08 mock treatment 0.253 0.00267 0.1 0.254 0.00225 0.1 0.1432 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D09 mock treatment 0.254 0.00367 0.14 0.255 0.00325 0.15 0.2019 0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D10 mock treatment 0.246 -0.00433 -0.16 0.247 -0.00475 -0.22 -0.2675 -0.9891 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D11 mock treatment 0.254 0.00367 0.14 0.256 0.00425 0.19 0.2343 0.985 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D12 mock treatment 0.25 -3.28E-4 -0.01 0.249 -0.00275 -0.13 -0.0976 -0.772 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D13 mock treatment 0.263 0.0127 0.47 0.261 0.00925 0.42 0.6329 0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D14 mock treatment 0.246 -0.00433 -0.16 0.248 -0.00375 -0.17 -0.2351 -0.9995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D15 mock treatment 0.25 -3.28E-4 -0.01 0.251 -7.47E-4 -0.03 -0.0328 -0.9033 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D16 mock treatment 0.255 0.00467 0.17 0.256 0.00425 0.19 0.2606 0.9984 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D17 mock treatment 0.261 0.0107 0.4 0.261 0.00925 0.42 0.5803 0.9995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D18 mock treatment 0.251 6.72E-4 0.03 0.255 0.00325 0.15 0.123 0.8145 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D19 mock treatment 0.251 6.72E-4 0.03 0.251 -7.47E-4 -0.03 -0.0065 -0.1536 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D20 mock treatment 0.249 -0.00133 -0.05 0.25 -0.00175 -0.08 -0.0915 -0.9731 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D21 mock treatment 0.249 -0.00133 -0.05 0.25 -0.00175 -0.08 -0.0915 -0.9731 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D22 mock treatment 0.248 -0.00233 -0.09 0.25 -0.00175 -0.08 -0.1178 -0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D23 mock treatment 0.252 0.00167 0.06 0.252 2.53E-4 0.01 0.0522 0.8244 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 D24 mock treatment 0.232 -0.0183 -0.68 0.221 -0.0307 -1.41 -1.4775 -0.9446 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E01 compound treatment 0.255 0.00467 0.17 0.272 0.0203 0.93 0.7786 0.8253 1720370 TimTec1_008467 C1CCC(CC1)Nc2nnnn2c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E02 mock treatment 0.254 0.00367 0.14 0.254 0.00225 0.1 0.1695 0.9904 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E03 compound treatment 0.254 0.00367 0.14 0.252 2.53E-4 0.01 0.1048 0.7642 3087366 TimTec1_008468 CCC(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)C(C)C 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E04 mock treatment 0.254 0.00367 0.14 0.253 0.00125 0.06 0.1371 0.9257 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E05 compound treatment 0.281 0.0307 1.14 0.276 0.0243 1.11 1.5919 0.9999 3211494 TimTec1_008469 Oc1nc2nonc2nc1Nc3ccccc3F 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E06 mock treatment 0.253 0.00267 0.1 0.255 0.00325 0.15 0.1756 0.9807 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E07 compound treatment 0.255 0.00467 0.17 0.254 0.00225 0.1 0.1958 0.969 3087367 TimTec1_008470 Clc1cccc(c1)C(=O)N2CCNCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E08 mock treatment 0.266 0.0157 0.58 0.266 0.0143 0.65 0.8736 0.9984 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E09 compound treatment 0.255 0.00467 0.17 0.256 0.00425 0.19 0.2606 0.9984 3211495 TimTec1_008471 CC/1=C(C#N)c2nc(N)c(C#N)c(C)c2\C1=C/c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E10 mock treatment 0.268 0.0177 0.66 0.258 0.00625 0.29 0.6672 0.9306 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E11 compound treatment 0.251 6.72E-4 0.03 0.249 -0.00275 -0.13 -0.0713 -0.5556 1406058 TimTec1_008472 OC(=O)CCNc1nc2ccccc2s1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E12 mock treatment 0.257 0.00667 0.25 0.257 0.00525 0.24 0.3456 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E13 compound treatment 0.257 0.00667 0.25 0.258 0.00625 0.29 0.3779 0.9975 1411493 TimTec1_008473 CC(C)(C)c1cn2c(nc3ccccc32)n1CCCO 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E14 mock treatment 0.253 0.00267 0.1 0.253 0.00125 0.06 0.1108 0.9659 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E15 compound treatment 0.252 0.00167 0.06 0.254 0.00225 0.1 0.1169 0.9707 1197110 TimTec1_008474 OC1(CCCCC1)C#CCN2CCN(CC2)C(=O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E16 mock treatment 0.256 0.00567 0.21 0.253 0.00125 0.06 0.1897 0.8678 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E17 compound treatment 0.257 0.00667 0.25 0.257 0.00525 0.24 0.3456 0.9999 3087413 TimTec1_008475 COc1nc(N)c(C#N)c(c1C#N)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E18 mock treatment 0.26 0.00967 0.36 0.262 0.0103 0.47 0.5863 0.9914 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E19 mock treatment 0.249 -0.00133 -0.05 0.248 -0.00375 -0.17 -0.1562 -0.8751 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E20 mock treatment 0.253 0.00267 0.1 0.253 0.00125 0.06 0.1108 0.9659 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E21 mock treatment 0.25 -3.28E-4 -0.01 0.251 -7.47E-4 -0.03 -0.0328 -0.9033 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E22 mock treatment 0.251 6.72E-4 0.03 0.254 0.00225 0.1 0.0906 0.8538 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E23 mock treatment 0.242 -0.00833 -0.31 0.25 -0.00175 -0.08 -0.2756 -0.8615 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 E24 mock treatment 0.244 -0.00633 -0.24 0.244 -0.00775 -0.35 -0.4173 -0.9801 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F01 mock treatment 0.235 -0.0153 -0.57 0.253 0.00125 0.06 -0.3626 -0.6328 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F02 mock treatment 0.257 0.00667 0.25 0.258 0.00625 0.29 0.3779 0.9975 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F03 mock treatment 0.257 0.00667 0.25 0.26 0.00825 0.38 0.4427 0.9792 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F04 mock treatment 0.255 0.00467 0.17 0.255 0.00325 0.15 0.2282 0.997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F05 mock treatment 0.263 0.0127 0.47 0.261 0.00925 0.42 0.6329 0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F06 mock treatment 0.258 0.00767 0.29 0.257 0.00525 0.24 0.3719 0.9964 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F07 mock treatment 0.263 0.0127 0.47 0.264 0.0123 0.56 0.73 0.9963 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F08 mock treatment 0.265 0.0147 0.55 0.264 0.0123 0.56 0.7826 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F09 mock treatment 0.256 0.00567 0.21 0.256 0.00425 0.19 0.2869 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F10 mock treatment 0.26 0.00967 0.36 0.26 0.00825 0.38 0.5216 0.9997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F11 mock treatment 0.259 0.00867 0.32 0.258 0.00625 0.29 0.4305 0.9982 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F12 mock treatment 0.256 0.00567 0.21 0.258 0.00625 0.29 0.3516 0.9887 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F13 mock treatment 0.268 0.0177 0.66 0.268 0.0163 0.74 0.991 0.9981 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F14 mock treatment 0.256 0.00567 0.21 0.258 0.00625 0.29 0.3516 0.9887 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F15 mock treatment 0.259 0.00867 0.32 0.259 0.00725 0.33 0.4629 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F16 mock treatment 0.259 0.00867 0.32 0.259 0.00725 0.33 0.4629 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F17 mock treatment 0.267 0.0167 0.62 0.266 0.0143 0.65 0.8999 0.9997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F18 mock treatment 0.258 0.00767 0.29 0.26 0.00825 0.38 0.469 0.9904 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F19 mock treatment 0.263 0.0127 0.47 0.262 0.0103 0.47 0.6652 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F20 mock treatment 0.256 0.00567 0.21 0.257 0.00525 0.24 0.3193 0.9979 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F21 mock treatment 0.258 0.00767 0.29 0.257 0.00525 0.24 0.3719 0.9964 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F22 mock treatment 0.253 0.00267 0.1 0.255 0.00325 0.15 0.1756 0.9807 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F23 mock treatment 0.26 0.00967 0.36 0.26 0.00825 0.38 0.5216 0.9997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 F24 mock treatment 0.245 -0.00533 -0.2 0.251 -7.47E-4 -0.03 -0.1643 -0.8171 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G01 compound treatment 0.235 -0.0153 -0.57 0.242 -0.00975 -0.45 -0.7187 -0.9927 1325717 TimTec1_008476 OC(COc1ccccc1)Cn2cnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G02 mock treatment 0.254 0.00367 0.14 0.252 2.53E-4 0.01 0.1048 0.7642 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G03 compound treatment 0.245 -0.00533 -0.2 0.246 -0.00575 -0.26 -0.3262 -0.9902 1168629 TimTec1_008477 Nc1nonc1C(=O)OCC(=O)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G04 mock treatment 0.259 0.00867 0.32 0.254 0.00225 0.1 0.301 0.8889 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G05 compound treatment 0.246 -0.00433 -0.16 0.247 -0.00475 -0.22 -0.2675 -0.9891 1787057 TimTec1_008478 CC(=O)OC1CN2CCC1C(C2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G06 mock treatment 0.252 0.00167 0.06 0.255 0.00325 0.15 0.1493 0.925 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G07 compound treatment 0.249 -0.00133 -0.05 0.248 -0.00375 -0.17 -0.1562 -0.8751 3087414 TimTec1_008479 CN1CCCC(C1)OC(=O)COc2ccc(C)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G08 mock treatment 0.264 0.0137 0.51 0.264 0.0123 0.56 0.7563 0.9988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G09 compound treatment 0.249 -0.00133 -0.05 0.25 -0.00175 -0.08 -0.0915 -0.9731 1134052 TimTec1_008480 CC(C)(C)N1CC(CO)OC1c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G10 mock treatment 0.252 0.00167 0.06 0.254 0.00225 0.1 0.1169 0.9707 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G11 compound treatment 0.251 6.72E-4 0.03 0.249 -0.00275 -0.13 -0.0713 -0.5556 3087415 TimTec1_008481 CCN1CCN(Cc2ccc(N)cc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G12 mock treatment 0.259 0.00867 0.32 0.258 0.00625 0.29 0.4305 0.9982 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G13 compound treatment 0.246 -0.00433 -0.16 0.246 -0.00575 -0.26 -0.2999 -0.9722 1650768 TimTec1_008482 O=C(Nc1ccncc1)C2(CCCC2)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G14 mock treatment 0.256 0.00567 0.21 0.254 0.00225 0.1 0.2221 0.9458 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G15 compound treatment 0.25 -3.28E-4 -0.01 0.248 -0.00375 -0.17 -0.1299 -0.7554 3211571 TimTec1_008483 Cc1ccc(cc1C)c2[nH]ncc2CNCc3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G16 mock treatment 0.257 0.00667 0.25 0.256 0.00425 0.19 0.3132 0.9928 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G17 compound treatment 0.281 0.0307 1.14 0.273 0.0213 0.97 1.4948 0.9969 3087416 TimTec1_008484 COC(=O)c1cc([nH]n1)c2ccccc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G18 mock treatment 0.261 0.0107 0.4 0.259 0.00725 0.33 0.5155 0.9961 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G19 mock treatment 0.248 -0.00233 -0.09 0.251 -7.47E-4 -0.03 -0.0854 -0.9175 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G20 mock treatment 0.253 0.00267 0.1 0.25 -0.00175 -0.08 0.0137 0.1075 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G21 mock treatment 0.248 -0.00233 -0.09 0.25 -0.00175 -0.08 -0.1178 -0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G22 mock treatment 0.251 6.72E-4 0.03 0.251 -7.47E-4 -0.03 -0.0065 -0.1536 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G23 mock treatment 0.248 -0.00233 -0.09 0.249 -0.00275 -0.13 -0.1502 -0.9834 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 G24 mock treatment 0.211 -0.0393 -1.46 0.244 -0.00775 -0.35 -1.2852 -0.8538 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H01 mock treatment 0.231 -0.0193 -0.72 0.251 -7.47E-4 -0.03 -0.5325 -0.7399 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H02 mock treatment 0.249 -0.00133 -0.05 0.249 -0.00275 -0.13 -0.1239 -0.9166 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H03 mock treatment 0.258 0.00767 0.29 0.258 0.00625 0.29 0.4042 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H04 mock treatment 0.251 6.72E-4 0.03 0.252 2.53E-4 0.01 0.0259 0.9386 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H05 mock treatment 0.257 0.00667 0.25 0.255 0.00325 0.15 0.2808 0.9702 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H06 mock treatment 0.252 0.00167 0.06 0.256 0.00425 0.19 0.1817 0.8888 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H07 mock treatment 0.259 0.00867 0.32 0.255 0.00325 0.15 0.3334 0.9384 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H08 mock treatment 0.259 0.00867 0.32 0.255 0.00325 0.15 0.3334 0.9384 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H09 mock treatment 0.256 0.00567 0.21 0.256 0.00425 0.19 0.2869 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H10 mock treatment 0.251 6.72E-4 0.03 0.25 -0.00175 -0.08 -0.0389 -0.4639 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H11 mock treatment 0.255 0.00467 0.17 0.254 0.00225 0.1 0.1958 0.969 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H12 mock treatment 0.251 6.72E-4 0.03 0.251 -7.47E-4 -0.03 -0.0065 -0.1536 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H13 mock treatment 0.266 0.0157 0.58 0.261 0.00925 0.42 0.7118 0.9877 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H14 mock treatment 0.254 0.00367 0.14 0.252 2.53E-4 0.01 0.1048 0.7642 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H15 mock treatment 0.257 0.00667 0.25 0.258 0.00625 0.29 0.3779 0.9975 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H16 mock treatment 0.253 0.00267 0.1 0.249 -0.00275 -0.13 -0.0187 -0.1164 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H17 mock treatment 0.268 0.0177 0.66 0.266 0.0143 0.65 0.9262 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H18 mock treatment 0.252 0.00167 0.06 0.248 -0.00375 -0.17 -0.0773 -0.4238 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H19 mock treatment 0.255 0.00467 0.17 0.257 0.00525 0.24 0.293 0.9873 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H20 mock treatment 0.252 0.00167 0.06 0.25 -0.00175 -0.08 -0.0126 -0.1242 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H21 mock treatment 0.256 0.00567 0.21 0.255 0.00325 0.15 0.2545 0.9855 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H22 mock treatment 0.252 0.00167 0.06 0.25 -0.00175 -0.08 -0.0126 -0.1242 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H23 mock treatment 0.255 0.00467 0.17 0.256 0.00425 0.19 0.2606 0.9984 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 H24 mock treatment 0.255 0.00467 0.17 0.25 -0.00175 -0.08 0.0663 0.3466 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I01 compound treatment 0.244 -0.00633 -0.24 0.249 -0.00275 -0.13 -0.2554 -0.9569 3211572 TimTec1_008485 CC(=O)OC(COc1ccccc1)Cn2cnc3ccccc23 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I02 mock treatment 0.256 0.00567 0.21 0.257 0.00525 0.24 0.3193 0.9979 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I03 compound treatment 0.261 0.0107 0.4 0.264 0.0123 0.56 0.6774 0.9857 3087417 TimTec1_008486 COc1ccc(cc1Br)C(=O)COC(=O)CCc2nc3ccccc3nc2O 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I04 mock treatment 0.255 0.00467 0.17 0.255 0.00325 0.15 0.2282 0.997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I05 compound treatment 0.25 -3.28E-4 -0.01 0.251 -7.47E-4 -0.03 -0.0328 -0.9033 3211573 TimTec1_008487 Cc1ccc(cc1)C(=O)NCCN2CCCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I06 mock treatment 0.255 0.00467 0.17 0.257 0.00525 0.24 0.293 0.9873 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I07 compound treatment 0.283 0.0327 1.22 0.272 0.0203 0.93 1.515 0.9911 3211574 TimTec1_008488 Cc1ccc(OCCCC(=O)Nc2nccs2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I08 mock treatment 0.263 0.0127 0.47 0.262 0.0103 0.47 0.6652 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I09 compound treatment 0.255 0.00467 0.17 0.255 0.00325 0.15 0.2282 0.997 3087418 TimTec1_008489 N#CC1CCN(Cc2ccccc2)CC1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I10 mock treatment 0.26 0.00967 0.36 0.258 0.00625 0.29 0.4568 0.9936 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I11 compound treatment 0.257 0.00667 0.25 0.253 0.00125 0.06 0.216 0.8482 1290823 TimTec1_008490 CC(C)C(=O)N1C(C)CC(N(C(=O)C)c2ccccc2)c3ccccc13 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I12 mock treatment 0.259 0.00867 0.32 0.259 0.00725 0.33 0.4629 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I13 compound treatment 0.256 0.00567 0.21 0.259 0.00725 0.33 0.384 0.976 3087419 TimTec1_008491 CCCOc1ccc(Cc2nc(N)c(NC(=O)C)c(O)n2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I14 mock treatment 0.259 0.00867 0.32 0.257 0.00525 0.24 0.3982 0.9895 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I15 compound treatment 0.287 0.0367 1.36 0.287 0.0353 1.61 2.1059 0.9965 1691184 TimTec1_008492 O=c1oc2ccccc2cc1c3cn4ccccc4n3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I16 mock treatment 0.256 0.00567 0.21 0.254 0.00225 0.1 0.2221 0.9458 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I17 compound treatment 0.268 0.0177 0.66 0.267 0.0153 0.7 0.9586 0.9995 1132623 TimTec1_008493 Cn1c2nc(c(CCC(=O)O)n2c3ccccc13)c4ccccc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I18 mock treatment 0.263 0.0127 0.47 0.263 0.0113 0.52 0.6976 0.999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I19 mock treatment 0.256 0.00567 0.21 0.254 0.00225 0.1 0.2221 0.9458 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I20 mock treatment 0.256 0.00567 0.21 0.257 0.00525 0.24 0.3193 0.9979 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I21 mock treatment 0.257 0.00667 0.25 0.257 0.00525 0.24 0.3456 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I22 mock treatment 0.259 0.00867 0.32 0.258 0.00625 0.29 0.4305 0.9982 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I23 mock treatment 0.259 0.00867 0.32 0.258 0.00625 0.29 0.4305 0.9982 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 I24 mock treatment 0.248 -0.00233 -0.09 0.246 -0.00575 -0.26 -0.2473 -0.8927 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J01 mock treatment 0.22 -0.0303 -1.13 0.243 -0.00875 -0.4 -1.0808 -0.9029 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J02 mock treatment 0.245 -0.00533 -0.2 0.246 -0.00575 -0.26 -0.3262 -0.9902 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J03 mock treatment 0.253 0.00267 0.1 0.253 0.00125 0.06 0.1108 0.9659 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J04 mock treatment 0.252 0.00167 0.06 0.252 2.53E-4 0.01 0.0522 0.8244 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J05 mock treatment 0.255 0.00467 0.17 0.256 0.00425 0.19 0.2606 0.9984 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J06 mock treatment 0.251 6.72E-4 0.03 0.251 -7.47E-4 -0.03 -0.0065 -0.1536 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J07 mock treatment 0.255 0.00467 0.17 0.256 0.00425 0.19 0.2606 0.9984 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J08 mock treatment 0.255 0.00467 0.17 0.259 0.00725 0.33 0.3577 0.9544 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J09 mock treatment 0.254 0.00367 0.14 0.253 0.00125 0.06 0.1371 0.9257 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J10 mock treatment 0.251 6.72E-4 0.03 0.249 -0.00275 -0.13 -0.0713 -0.5556 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J11 mock treatment 0.255 0.00467 0.17 0.252 2.53E-4 0.01 0.1311 0.7525 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J12 mock treatment 0.267 0.0167 0.62 0.247 -0.00475 -0.22 0.2848 0.4334 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J13 mock treatment 0.251 6.72E-4 0.03 0.25 -0.00175 -0.08 -0.0389 -0.4639 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J14 mock treatment 0.249 -0.00133 -0.05 0.249 -0.00275 -0.13 -0.1239 -0.9166 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J15 mock treatment 0.25 -3.28E-4 -0.01 0.254 0.00225 0.1 0.0643 0.6193 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J16 mock treatment 0.251 6.72E-4 0.03 0.249 -0.00275 -0.13 -0.0713 -0.5556 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J17 mock treatment 0.263 0.0127 0.47 0.262 0.0103 0.47 0.6652 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J18 mock treatment 0.253 0.00267 0.1 0.254 0.00225 0.1 0.1432 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J19 mock treatment 0.257 0.00667 0.25 0.256 0.00425 0.19 0.3132 0.9928 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J20 mock treatment 0.255 0.00467 0.17 0.254 0.00225 0.1 0.1958 0.969 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J21 mock treatment 0.253 0.00267 0.1 0.254 0.00225 0.1 0.1432 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J22 mock treatment 0.249 -0.00133 -0.05 0.249 -0.00275 -0.13 -0.1239 -0.9166 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J23 mock treatment 0.252 0.00167 0.06 0.253 0.00125 0.06 0.0845 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 J24 mock treatment 0.22 -0.0303 -1.13 0.243 -0.00875 -0.4 -1.0808 -0.9029 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K01 compound treatment 0.213 -0.0373 -1.39 0.238 -0.0137 -0.63 -1.4268 -0.936 1586834 TimTec1_008494 Cc1c(C#N)c2ccccc2n1CC(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K02 mock treatment 0.255 0.00467 0.17 0.256 0.00425 0.19 0.2606 0.9984 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K03 compound treatment 0.253 0.00267 0.1 0.252 2.53E-4 0.01 0.0785 0.7841 3211575 TimTec1_008495 CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC2CCCO2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K04 mock treatment 0.252 0.00167 0.06 0.251 -7.47E-4 -0.03 0.0198 0.2787 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K05 compound treatment 0.261 0.0107 0.4 0.259 0.00725 0.33 0.5155 0.9961 3087420 TimTec1_008496 NC(=O)c1ccc(CN2CCOCC2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K06 mock treatment 0.254 0.00367 0.14 0.256 0.00425 0.19 0.2343 0.985 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K07 compound treatment 0.249 -0.00133 -0.05 0.249 -0.00275 -0.13 -0.1239 -0.9166 1260773 TimTec1_008497 Nc1c(c2nc3ccccc3s2)c4nc(C#N)c(C#N)nc4n1CC5CCCO5 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K08 mock treatment 0.256 0.00567 0.21 0.258 0.00625 0.29 0.3516 0.9887 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K09 compound treatment 0.253 0.00267 0.1 0.251 -7.47E-4 -0.03 0.0461 0.4384 3087421 TimTec1_008498 CC1CCCN(C1)C(=O)Cc2cccs2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K10 mock treatment 0.255 0.00467 0.17 0.252 2.53E-4 0.01 0.1311 0.7525 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K11 compound treatment 0.26 0.00967 0.36 0.258 0.00625 0.29 0.4568 0.9936 3211576 TimTec1_008499 CC1(C)CC(=O)C=C(C1)Nc2sc3CCCCc3c2C(=O)N 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K12 mock treatment 0.255 0.00467 0.17 0.255 0.00325 0.15 0.2282 0.997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K13 compound treatment 0.257 0.00667 0.25 0.257 0.00525 0.24 0.3456 0.9999 3087422 TimTec1_008500 Cn1c(nc2cc(N)ccc12)c3ccc4nc(N)sc4c3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K14 mock treatment 0.254 0.00367 0.14 0.253 0.00125 0.06 0.1371 0.9257 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K15 compound treatment 0.272 0.0217 0.81 0.274 0.0223 1.02 1.2905 0.9933 1350314 TimTec1_008501 CC(C)NCCn1c(cn2c1nc3ccccc32)c4ccc(Br)cc4 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K16 mock treatment 0.253 0.00267 0.1 0.254 0.00225 0.1 0.1432 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K17 mock treatment 0.265 0.0147 0.55 0.263 0.0113 0.52 0.7502 0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K18 mock treatment 0.256 0.00567 0.21 0.256 0.00425 0.19 0.2869 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K19 mock treatment 0.259 0.00867 0.32 0.255 0.00325 0.15 0.3334 0.9384 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K20 mock treatment 0.252 0.00167 0.06 0.251 -7.47E-4 -0.03 0.0198 0.2787 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K21 mock treatment 0.256 0.00567 0.21 0.254 0.00225 0.1 0.2221 0.9458 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K22 mock treatment 0.253 0.00267 0.1 0.25 -0.00175 -0.08 0.0137 0.1075 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K23 mock treatment 0.256 0.00567 0.21 0.258 0.00625 0.29 0.3516 0.9887 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 K24 mock treatment 0.213 -0.0373 -1.39 0.242 -0.00975 -0.45 -1.2973 -0.8896 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L01 mock treatment 0.244 -0.00633 -0.24 0.248 -0.00375 -0.17 -0.2877 -0.9879 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L02 mock treatment 0.255 0.00467 0.17 0.257 0.00525 0.24 0.293 0.9873 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L03 mock treatment 0.252 0.00167 0.06 0.254 0.00225 0.1 0.1169 0.9707 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L04 mock treatment 0.257 0.00667 0.25 0.258 0.00625 0.29 0.3779 0.9975 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L05 mock treatment 0.254 0.00367 0.14 0.255 0.00325 0.15 0.2019 0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L06 mock treatment 0.259 0.00867 0.32 0.258 0.00625 0.29 0.4305 0.9982 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L07 mock treatment 0.252 0.00167 0.06 0.255 0.00325 0.15 0.1493 0.925 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L08 mock treatment 0.258 0.00767 0.29 0.258 0.00625 0.29 0.4042 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L09 mock treatment 0.258 0.00767 0.29 0.258 0.00625 0.29 0.4042 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L10 mock treatment 0.259 0.00867 0.32 0.254 0.00225 0.1 0.301 0.8889 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L11 mock treatment 0.257 0.00667 0.25 0.253 0.00125 0.06 0.216 0.8482 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L12 mock treatment 0.26 0.00967 0.36 0.259 0.00725 0.33 0.4892 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L13 mock treatment 0.257 0.00667 0.25 0.256 0.00425 0.19 0.3132 0.9928 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L14 mock treatment 0.258 0.00767 0.29 0.255 0.00325 0.15 0.3071 0.954 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L15 mock treatment 0.255 0.00467 0.17 0.254 0.00225 0.1 0.1958 0.969 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L16 mock treatment 0.255 0.00467 0.17 0.256 0.00425 0.19 0.2606 0.9984 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L17 mock treatment 0.263 0.0127 0.47 0.261 0.00925 0.42 0.6329 0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L18 mock treatment 0.262 0.0117 0.43 0.256 0.00425 0.19 0.4447 0.9346 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L19 mock treatment 0.258 0.00767 0.29 0.257 0.00525 0.24 0.3719 0.9964 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L20 mock treatment 0.263 0.0127 0.47 0.26 0.00825 0.38 0.6005 0.994 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L21 mock treatment 0.25 -3.28E-4 -0.01 0.25 -0.00175 -0.08 -0.0652 -0.8055 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L22 mock treatment 0.259 0.00867 0.32 0.257 0.00525 0.24 0.3982 0.9895 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L23 mock treatment 0.256 0.00567 0.21 0.256 0.00425 0.19 0.2869 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 L24 mock treatment 0.22 -0.0303 -1.13 0.239 -0.0127 -0.58 -1.2104 -0.953 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M01 compound treatment 0.207 -0.0433 -1.61 0.235 -0.0167 -0.77 -1.6818 -0.9423 1597861 TimTec1_008502 O=S1(=O)CC(NCc2ccccc2)C=C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M02 mock treatment 0.257 0.00667 0.25 0.256 0.00425 0.19 0.3132 0.9928 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M03 compound treatment 0.253 0.00267 0.1 0.25 -0.00175 -0.08 0.0137 0.1075 1709566 TimTec1_008503 Fc1ccc(NC(=O)C2CCCO2)cc1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M04 mock treatment 0.258 0.00767 0.29 0.257 0.00525 0.24 0.3719 0.9964 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M05 compound treatment 0.258 0.00767 0.29 0.257 0.00525 0.24 0.3719 0.9964 3211577 TimTec1_008504 CC(C)NC(=O)C1COc2ccccc2O1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M06 mock treatment 0.259 0.00867 0.32 0.259 0.00725 0.33 0.4629 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M07 compound treatment 0.253 0.00267 0.1 0.254 0.00225 0.1 0.1432 0.9998 1778660 TimTec1_008505 COC(=O)c1c(Cl)n2cnccc2c1C(=O)OC 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M08 mock treatment 0.261 0.0107 0.4 0.262 0.0103 0.47 0.6126 0.9965 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M09 compound treatment 0.256 0.00567 0.21 0.255 0.00325 0.15 0.2545 0.9855 3211578 TimTec1_008506 CCCc1noc2CC(C)(C)C/C(=N/O)/c12 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M10 mock treatment 0.258 0.00767 0.29 0.254 0.00225 0.1 0.2747 0.9054 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M11 compound treatment 0.255 0.00467 0.17 0.255 0.00325 0.15 0.2282 0.997 1923180 TimTec1_008507 CC1(C)CC(=O)C(=CNCCN2CCNCC2)C(=O)C1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M12 mock treatment 0.258 0.00767 0.29 0.257 0.00525 0.24 0.3719 0.9964 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M13 compound treatment 0.3 0.0497 1.85 0.287 0.0353 1.61 2.4478 0.9977 3087423 TimTec1_008508 C(Nc1ncn[nH]1)c2ccc(NCc3cccc4ccccc34)cc2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M14 mock treatment 0.258 0.00767 0.29 0.259 0.00725 0.33 0.4366 0.9972 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M15 compound treatment 0.252 0.00167 0.06 0.252 2.53E-4 0.01 0.0522 0.8244 3211579 TimTec1_008509 OC(=O)C1=CC2c3ccccc3C1c4ccccc24 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M16 mock treatment 0.257 0.00667 0.25 0.257 0.00525 0.24 0.3456 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M17 mock treatment 0.257 0.00667 0.25 0.255 0.00325 0.15 0.2808 0.9702 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M18 mock treatment 0.26 0.00967 0.36 0.258 0.00625 0.29 0.4568 0.9936 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M19 mock treatment 0.257 0.00667 0.25 0.254 0.00225 0.1 0.2484 0.9243 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M20 mock treatment 0.258 0.00767 0.29 0.255 0.00325 0.15 0.3071 0.954 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M21 mock treatment 0.252 0.00167 0.06 0.25 -0.00175 -0.08 -0.0126 -0.1242 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M22 mock treatment 0.255 0.00467 0.17 0.255 0.00325 0.15 0.2282 0.997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M23 mock treatment 0.254 0.00367 0.14 0.254 0.00225 0.1 0.1695 0.9904 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 M24 mock treatment 0.218 -0.0323 -1.2 0.23 -0.0217 -1.0 -1.5543 -0.9956 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N01 mock treatment 0.237 -0.0133 -0.5 0.236 -0.0157 -0.72 -0.8604 -0.9833 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N02 mock treatment 0.247 -0.00333 -0.12 0.248 -0.00375 -0.17 -0.2088 -0.9871 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N03 mock treatment 0.253 0.00267 0.1 0.257 0.00525 0.24 0.2403 0.9236 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N04 mock treatment 0.248 -0.00233 -0.09 0.248 -0.00375 -0.17 -0.1825 -0.9498 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N05 mock treatment 0.256 0.00567 0.21 0.255 0.00325 0.15 0.2545 0.9855 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N06 mock treatment 0.252 0.00167 0.06 0.253 0.00125 0.06 0.0845 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N07 mock treatment 0.253 0.00267 0.1 0.252 2.53E-4 0.01 0.0785 0.7841 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N08 mock treatment 0.248 -0.00233 -0.09 0.247 -0.00475 -0.22 -0.2149 -0.9186 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N09 mock treatment 0.248 -0.00233 -0.09 0.251 -7.47E-4 -0.03 -0.0854 -0.9175 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N10 mock treatment 0.251 6.72E-4 0.03 0.251 -7.47E-4 -0.03 -0.0065 -0.1536 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N11 mock treatment 0.253 0.00267 0.1 0.253 0.00125 0.06 0.1108 0.9659 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N12 mock treatment 0.252 0.00167 0.06 0.251 -7.47E-4 -0.03 0.0198 0.2787 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N13 mock treatment 0.256 0.00567 0.21 0.256 0.00425 0.19 0.2869 0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N14 mock treatment 0.251 6.72E-4 0.03 0.249 -0.00275 -0.13 -0.0713 -0.5556 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N15 mock treatment 0.252 0.00167 0.06 0.251 -7.47E-4 -0.03 0.0198 0.2787 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N16 mock treatment 0.25 -3.28E-4 -0.01 0.249 -0.00275 -0.13 -0.0976 -0.772 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N17 mock treatment 0.258 0.00767 0.29 0.258 0.00625 0.29 0.4042 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N18 mock treatment 0.251 6.72E-4 0.03 0.251 -7.47E-4 -0.03 -0.0065 -0.1536 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N19 mock treatment 0.253 0.00267 0.1 0.252 2.53E-4 0.01 0.0785 0.7841 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N20 mock treatment 0.251 6.72E-4 0.03 0.252 2.53E-4 0.01 0.0259 0.9386 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N21 mock treatment 0.254 0.00367 0.14 0.253 0.00125 0.06 0.1371 0.9257 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N22 mock treatment 0.247 -0.00333 -0.12 0.253 0.00125 0.06 -0.047 -0.3443 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N23 mock treatment 0.255 0.00467 0.17 0.253 0.00125 0.06 0.1634 0.8931 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 N24 mock treatment 0.196 -0.0543 -2.02 0.21 -0.0417 -1.91 -2.7805 -0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O01 compound treatment 0.266 0.0157 0.58 0.255 0.00325 0.15 0.5175 0.8601 3211580 TimTec1_008510 Nc1nc2ccc(cc2s1)C(=O)OC3CCCCC3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O02 mock treatment 0.244 -0.00633 -0.24 0.247 -0.00475 -0.22 -0.3201 -0.9992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O03 compound treatment 0.26 0.00967 0.36 0.258 0.00625 0.29 0.4568 0.9936 1790435 TimTec1_008511 Cc1cc(C(=O)OCC(=O)Nc2sc3CCCCc3c2C#N)c4ccccc4n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O04 mock treatment 0.252 0.00167 0.06 0.247 -0.00475 -0.22 -0.1097 -0.4853 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O05 compound treatment 0.315 0.0647 2.41 0.315 0.0633 2.9 3.7488 0.9957 3211581 TimTec1_008512 CN1C2=C(C(C3=C1CCCC3=O)c4ccccc4)C(=O)CCC2 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O06 mock treatment 0.25 -3.28E-4 -0.01 0.251 -7.47E-4 -0.03 -0.0328 -0.9033 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O07 compound treatment 0.246 -0.00433 -0.16 0.245 -0.00675 -0.31 -0.3323 -0.9538 1677589 TimTec1_008513 O=C(Cc1cccc2ccccc12)NCC3CCCO3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O08 mock treatment 0.254 0.00367 0.14 0.255 0.00325 0.15 0.2019 0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O09 compound treatment 0.254 0.00367 0.14 0.254 0.00225 0.1 0.1695 0.9904 1210690 TimTec1_008514 COC(=O)CCNc1ccc2OCCOc2c1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O10 mock treatment 0.246 -0.00433 -0.16 0.248 -0.00375 -0.17 -0.2351 -0.9995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O11 compound treatment 0.247 -0.00333 -0.12 0.245 -0.00675 -0.31 -0.306 -0.9194 1483611 TimTec1_008515 CCOC(=O)c1cnc2cc(nn2c1O)c3ccccc3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O12 mock treatment 0.254 0.00367 0.14 0.25 -0.00175 -0.08 0.04 0.2528 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O13 compound treatment 0.246 -0.00433 -0.16 0.245 -0.00675 -0.31 -0.3323 -0.9538 3087424 TimTec1_008516 O=C(CC(c1ccccc1)c2ccccc2)Nc3nnc[nH]3 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O14 mock treatment 0.25 -3.28E-4 -0.01 0.251 -7.47E-4 -0.03 -0.0328 -0.9033 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O15 compound treatment 0.254 0.00367 0.14 0.254 0.00225 0.1 0.1695 0.9904 3211582 TimTec1_008517 Cc1cc(NCc2ccccc2)n3ncnc3n1 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O16 mock treatment 0.242 -0.00833 -0.31 0.252 2.53E-4 0.01 -0.2108 -0.6802 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O17 mock treatment 0.25 -3.28E-4 -0.01 0.255 0.00325 0.15 0.0967 0.6471 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O18 mock treatment 0.255 0.00467 0.17 0.254 0.00225 0.1 0.1958 0.969 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O19 mock treatment 0.245 -0.00533 -0.2 0.249 -0.00275 -0.13 -0.2291 -0.9759 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O20 mock treatment 0.249 -0.00133 -0.05 0.251 -7.47E-4 -0.03 -0.0591 -0.984 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O21 mock treatment 0.256 0.00567 0.21 0.248 -0.00375 -0.17 0.0279 0.1025 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O22 mock treatment 0.251 6.72E-4 0.03 0.249 -0.00275 -0.13 -0.0713 -0.5556 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O23 mock treatment 0.239 -0.0113 -0.42 0.246 -0.00575 -0.26 -0.484 -0.9743 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 O24 mock treatment 0.191 -0.0593 -2.21 0.224 -0.0277 -1.27 -2.4587 -0.9656 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P01 mock treatment 0.182 -0.0683 -2.54 0.173 -0.0787 -3.61 -4.3466 -0.9853 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P02 mock treatment 0.202 -0.0483 -1.8 0.21 -0.0417 -1.91 -2.6227 -0.9995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P03 mock treatment 0.204 -0.0463 -1.72 0.215 -0.0367 -1.68 -2.4082 -0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P04 mock treatment 0.202 -0.0483 -1.8 0.198 -0.0537 -2.46 -3.0112 -0.9881 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P05 mock treatment 0.2 -0.0503 -1.87 0.199 -0.0527 -2.42 -3.0314 -0.9921 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P06 mock treatment 0.206 -0.0443 -1.65 0.203 -0.0487 -2.23 -2.7441 -0.9889 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P07 mock treatment 0.207 -0.0433 -1.61 0.209 -0.0427 -1.96 -2.5236 -0.9953 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P08 mock treatment 0.204 -0.0463 -1.72 0.206 -0.0457 -2.09 -2.6996 -0.9953 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P09 mock treatment 0.214 -0.0363 -1.35 0.205 -0.0467 -2.14 -2.469 -0.9754 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P10 mock treatment 0.193 -0.0573 -2.13 0.201 -0.0507 -2.32 -3.1508 -0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P11 mock treatment 0.209 -0.0413 -1.54 0.206 -0.0457 -2.09 -2.5681 -0.9884 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P12 mock treatment 0.205 -0.0453 -1.69 0.197 -0.0547 -2.51 -2.9647 -0.9814 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P13 mock treatment 0.202 -0.0483 -1.8 0.209 -0.0427 -1.96 -2.6551 -0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P14 mock treatment 0.2 -0.0503 -1.87 0.208 -0.0437 -2.0 -2.74 -0.9994 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P15 mock treatment 0.205 -0.0453 -1.69 0.205 -0.0467 -2.14 -2.7057 -0.993 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P16 mock treatment 0.188 -0.0623 -2.32 0.208 -0.0437 -2.0 -3.0556 -0.9974 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P17 mock treatment 0.205 -0.0453 -1.69 0.204 -0.0477 -2.19 -2.738 -0.9918 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P18 mock treatment 0.198 -0.0523 -1.95 0.201 -0.0507 -2.32 -3.0193 -0.9961 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P19 mock treatment 0.208 -0.0423 -1.57 0.204 -0.0477 -2.19 -2.6591 -0.987 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P20 mock treatment 0.203 -0.0473 -1.76 0.202 -0.0497 -2.28 -2.8554 -0.9919 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P21 mock treatment 0.196 -0.0543 -2.02 0.201 -0.0507 -2.32 -3.0719 -0.9976 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P22 mock treatment 0.19 -0.0603 -2.24 0.183 -0.0687 -3.15 -3.8125 -0.9862 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P23 mock treatment 0.168 -0.0823 -3.06 0.188 -0.0637 -2.92 -4.2292 -0.9997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.2087 P24 mock treatment 0.186 -0.0643 -2.39 0.186 -0.0657 -3.01 -3.8205 -0.9935 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A01 mock treatment 0.162 -0.0777 -2.89 0.232 -0.0239 -1.1 -2.817 -0.9118 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A02 mock treatment 0.201 -0.0387 -1.44 0.241 -0.0149 -0.68 -1.4998 -0.9421 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A03 mock treatment 0.216 -0.0237 -0.88 0.238 -0.0179 -0.82 -1.2025 -0.9994 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A04 mock treatment 0.222 -0.0177 -0.66 0.246 -0.00992 -0.45 -0.7856 -0.9837 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A05 mock treatment 0.216 -0.0237 -0.88 0.246 -0.00992 -0.45 -0.9434 -0.9526 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A06 mock treatment 0.214 -0.0257 -0.95 0.241 -0.0149 -0.68 -1.1579 -0.9865 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A07 mock treatment 0.224 -0.0157 -0.58 0.244 -0.0119 -0.55 -0.7978 -0.9995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A08 mock treatment 0.219 -0.0207 -0.77 0.243 -0.0129 -0.59 -0.9617 -0.9916 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A09 mock treatment 0.218 -0.0217 -0.81 0.243 -0.0129 -0.59 -0.988 -0.9884 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A10 mock treatment 0.216 -0.0237 -0.88 0.246 -0.00992 -0.45 -0.9434 -0.9526 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A11 mock treatment 0.223 -0.0167 -0.62 0.249 -0.00692 -0.32 -0.6622 -0.9514 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A12 mock treatment 0.237 -0.00266 -0.1 0.252 -0.00392 -0.18 -0.1969 -0.9609 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A13 mock treatment 0.235 -0.00466 -0.17 0.244 -0.0119 -0.55 -0.5085 -0.8881 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A14 mock treatment 0.229 -0.0107 -0.4 0.25 -0.00592 -0.27 -0.472 -0.9827 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A15 mock treatment 0.223 -0.0167 -0.62 0.24 -0.0159 -0.73 -0.9536 -0.9968 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A16 mock treatment 0.216 -0.0237 -0.88 0.247 -0.00892 -0.41 -0.9111 -0.939 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A17 mock treatment 0.211 -0.0287 -1.07 0.242 -0.0139 -0.64 -1.2045 -0.9697 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A18 mock treatment 0.21 -0.0297 -1.1 0.237 -0.0189 -0.87 -1.3926 -0.9928 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A19 mock treatment 0.215 -0.0247 -0.92 0.224 -0.0319 -1.46 -1.682 -0.9748 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A20 mock treatment 0.215 -0.0247 -0.92 0.227 -0.0289 -1.32 -1.5849 -0.9839 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A21 mock treatment 0.183 -0.0567 -2.11 0.22 -0.0359 -1.64 -2.6532 -0.9925 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A22 mock treatment 0.196 -0.0437 -1.62 0.233 -0.0229 -1.05 -1.8904 -0.9777 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A23 mock treatment 0.2 -0.0397 -1.48 0.244 -0.0119 -0.55 -1.429 -0.9085 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base A24 mock treatment 0.172 -0.0677 -2.52 0.246 -0.00992 -0.45 -2.1007 -0.8214 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B01 mock treatment 0.216 -0.0237 -0.88 0.25 -0.00592 -0.27 -0.8139 -0.8838 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B02 mock treatment 0.235 -0.00466 -0.17 0.26 0.00408 0.19 0.0095 0.0374 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B03 mock treatment 0.242 0.00234 0.09 0.263 0.00708 0.32 0.2908 0.866 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B04 mock treatment 0.233 -0.00666 -0.25 0.259 0.00308 0.14 -0.0754 -0.2644 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B05 mock treatment 0.231 -0.00866 -0.32 0.261 0.00508 0.23 -0.0633 -0.1592 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B06 mock treatment 0.238 -0.00166 -0.06 0.259 0.00308 0.14 0.0561 0.3637 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B07 mock treatment 0.237 -0.00266 -0.1 0.26 0.00408 0.19 0.0621 0.2937 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B08 mock treatment 0.237 -0.00266 -0.1 0.264 0.00808 0.37 0.1916 0.5002 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B09 mock treatment 0.239 -6.64E-4 -0.02 0.263 0.00708 0.32 0.2119 0.6514 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B10 mock treatment 0.241 0.00134 0.05 0.257 0.00108 0.05 0.0702 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B11 mock treatment 0.233 -0.00666 -0.25 0.262 0.00608 0.28 0.0217 0.0582 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B12 mock treatment 0.236 -0.00366 -0.14 0.261 0.00508 0.23 0.0682 0.2529 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B13 mock treatment 0.244 0.00434 0.16 0.261 0.00508 0.23 0.2786 0.9839 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B14 mock treatment 0.241 0.00134 0.05 0.259 0.00308 0.14 0.135 0.9018 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B15 mock treatment 0.236 -0.00366 -0.14 0.259 0.00308 0.14 0.0035 0.0177 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B16 mock treatment 0.255 0.0153 0.57 0.264 0.00808 0.37 0.6651 0.9781 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B17 mock treatment 0.251 0.0113 0.42 0.368 0.112 5.13 3.927 0.7626 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B18 mock treatment 0.235 -0.00466 -0.17 0.26 0.00408 0.19 0.0095 0.0374 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B19 mock treatment 0.23 -0.00966 -0.36 0.259 0.00308 0.14 -0.1543 -0.3996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B20 mock treatment 0.238 -0.00166 -0.06 0.258 0.00208 0.1 0.0237 0.2083 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B21 mock treatment 0.23 -0.00966 -0.36 0.26 0.00408 0.19 -0.122 -0.301 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B22 mock treatment 0.23 -0.00966 -0.36 0.252 -0.00392 -0.18 -0.381 -0.9484 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B23 mock treatment 0.223 -0.0167 -0.62 0.251 -0.00492 -0.23 -0.5975 -0.906 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base B24 mock treatment 0.187 -0.0527 -1.96 0.25 -0.00592 -0.27 -1.5767 -0.7973 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C01 mock treatment 0.196 -0.0437 -1.62 0.238 -0.0179 -0.82 -1.7285 -0.95 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C02 mock treatment 0.229 -0.0107 -0.4 0.246 -0.00992 -0.45 -0.6015 -0.9977 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C03 mock treatment 0.228 -0.0117 -0.43 0.244 -0.0119 -0.55 -0.6926 -0.9936 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C04 mock treatment 0.234 -0.00566 -0.21 0.246 -0.00992 -0.45 -0.47 -0.939 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C05 mock treatment 0.226 -0.0137 -0.51 0.243 -0.0129 -0.59 -0.7776 -0.9972 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C06 mock treatment 0.222 -0.0177 -0.66 0.25 -0.00592 -0.27 -0.6561 -0.9233 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C07 mock treatment 0.23 -0.00966 -0.36 0.245 -0.0109 -0.5 -0.6076 -0.9869 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C08 mock treatment 0.235 -0.00466 -0.17 0.26 0.00408 0.19 0.0095 0.0374 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C09 mock treatment 0.226 -0.0137 -0.51 0.247 -0.00892 -0.41 -0.6481 -0.9941 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C10 mock treatment 0.228 -0.0117 -0.43 0.25 -0.00592 -0.27 -0.4983 -0.9743 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C11 mock treatment 0.23 -0.00966 -0.36 0.247 -0.00892 -0.41 -0.5429 -0.998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C12 mock treatment 0.235 -0.00466 -0.17 0.255 -9.16E-4 -0.04 -0.1523 -0.8535 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C13 mock treatment 0.235 -0.00466 -0.17 0.248 -0.00792 -0.36 -0.379 -0.9431 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C14 mock treatment 0.229 -0.0107 -0.4 0.253 -0.00292 -0.13 -0.3749 -0.8958 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C15 mock treatment 0.226 -0.0137 -0.51 0.247 -0.00892 -0.41 -0.6481 -0.9941 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C16 mock treatment 0.238 -0.00166 -0.06 0.255 -9.16E-4 -0.04 -0.0734 -0.9821 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C17 mock treatment 0.241 0.00134 0.05 0.256 8.36E-5 0.0 0.0378 0.7593 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C18 mock treatment 0.242 0.00234 0.09 0.255 -9.16E-4 -0.04 0.0318 0.3292 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C19 mock treatment 0.228 -0.0117 -0.43 0.247 -0.00892 -0.41 -0.5955 -0.9995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C20 mock treatment 0.227 -0.0127 -0.47 0.248 -0.00792 -0.36 -0.5894 -0.9916 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C21 mock treatment 0.226 -0.0137 -0.51 0.245 -0.0109 -0.5 -0.7128 -1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C22 mock treatment 0.223 -0.0167 -0.62 0.246 -0.00992 -0.45 -0.7593 -0.9883 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C23 mock treatment 0.22 -0.0197 -0.73 0.242 -0.0139 -0.64 -0.9677 -0.9976 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base C24 mock treatment 0.186 -0.0537 -2.0 0.233 -0.0229 -1.05 -2.1534 -0.9549 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D01 mock treatment 0.226 -0.0137 -0.51 0.25 -0.00592 -0.27 -0.5509 -0.9566 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D02 mock treatment 0.227 -0.0127 -0.47 0.255 -9.16E-4 -0.04 -0.3627 -0.7671 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D03 mock treatment 0.226 -0.0137 -0.51 0.26 0.00408 0.19 -0.2272 -0.4195 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D04 mock treatment 0.235 -0.00466 -0.17 0.259 0.00308 0.14 -0.0228 -0.1021 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D05 mock treatment 0.217 -0.0227 -0.84 0.26 0.00408 0.19 -0.4639 -0.5372 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D06 mock treatment 0.223 -0.0167 -0.62 0.255 -9.16E-4 -0.04 -0.4679 -0.7533 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D07 mock treatment 0.244 0.00434 0.16 0.256 8.36E-5 0.0 0.1167 0.7237 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D08 mock treatment 0.245 0.00534 0.2 0.259 0.00308 0.14 0.2402 0.9861 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D09 mock treatment 0.23 -0.00966 -0.36 0.257 0.00108 0.05 -0.2191 -0.6038 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D10 mock treatment 0.231 -0.00866 -0.32 0.255 -9.16E-4 -0.04 -0.2575 -0.7925 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D11 mock treatment 0.242 0.00234 0.09 0.261 0.00508 0.23 0.226 0.9097 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D12 mock treatment 0.241 0.00134 0.05 0.256 8.36E-5 0.0 0.0378 0.7593 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D13 mock treatment 0.245 0.00534 0.2 0.257 0.00108 0.05 0.1754 0.8575 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D14 mock treatment 0.246 0.00634 0.24 0.257 0.00108 0.05 0.2017 0.8376 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D15 mock treatment 0.237 -0.00266 -0.1 0.257 0.00108 0.05 -0.035 -0.3157 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D16 mock treatment 0.246 0.00634 0.24 0.264 0.00808 0.37 0.4284 0.9762 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D17 mock treatment 0.252 0.0123 0.46 0.266 0.0101 0.46 0.6509 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D18 mock treatment 0.247 0.00734 0.27 0.261 0.00508 0.23 0.3575 0.9969 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D19 mock treatment 0.251 0.0113 0.42 0.256 8.36E-5 0.0 0.3009 0.7135 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D20 mock treatment 0.236 -0.00366 -0.14 0.255 -9.16E-4 -0.04 -0.126 -0.8839 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D21 mock treatment 0.235 -0.00466 -0.17 0.258 0.00208 0.1 -0.0552 -0.2789 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D22 mock treatment 0.236 -0.00366 -0.14 0.253 -0.00292 -0.13 -0.1908 -0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D23 mock treatment 0.241 0.00134 0.05 0.248 -0.00792 -0.36 -0.2212 -0.6045 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base D24 mock treatment 0.214 -0.0257 -0.95 0.243 -0.0129 -0.59 -1.0932 -0.9735 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E01 mock treatment 0.218 -0.0217 -0.81 0.242 -0.0139 -0.64 -1.0203 -0.9932 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E02 mock treatment 0.222 -0.0177 -0.66 0.262 0.00608 0.28 -0.2676 -0.375 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E03 mock treatment 0.249 0.00934 0.35 0.257 0.00108 0.05 0.2806 0.8 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E04 mock treatment 0.247 0.00734 0.27 0.26 0.00408 0.19 0.3252 0.983 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E05 mock treatment 0.243 0.00334 0.12 0.26 0.00408 0.19 0.2199 0.9802 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E06 mock treatment 0.246 0.00634 0.24 0.263 0.00708 0.32 0.396 0.9877 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E07 mock treatment 0.25 0.0103 0.38 0.259 0.00308 0.14 0.3717 0.9075 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E08 mock treatment 0.258 0.0183 0.68 0.268 0.0121 0.55 0.8735 0.9946 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E09 mock treatment 0.245 0.00534 0.2 0.259 0.00308 0.14 0.2402 0.9861 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E10 mock treatment 0.24 3.36E-4 0.01 0.264 0.00808 0.37 0.2706 0.7306 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E11 mock treatment 0.242 0.00234 0.09 0.262 0.00608 0.28 0.2584 0.8856 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E12 mock treatment 0.241 0.00134 0.05 0.264 0.00808 0.37 0.2969 0.7949 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E13 mock treatment 0.252 0.0123 0.46 0.261 0.00508 0.23 0.489 0.9505 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E14 mock treatment 0.238 -0.00166 -0.06 0.261 0.00508 0.23 0.1208 0.5016 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E15 mock treatment 0.252 0.0123 0.46 0.258 0.00208 0.1 0.3919 0.8362 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E16 mock treatment 0.243 0.00334 0.12 0.265 0.00908 0.42 0.3818 0.8797 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E17 mock treatment 0.25 0.0103 0.38 0.267 0.0111 0.51 0.6307 0.9906 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E18 mock treatment 0.249 0.00934 0.35 0.267 0.0111 0.51 0.6044 0.9829 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E19 mock treatment 0.237 -0.00266 -0.1 0.26 0.00408 0.19 0.0621 0.2937 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E20 mock treatment 0.236 -0.00366 -0.14 0.262 0.00608 0.28 0.1006 0.3244 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E21 mock treatment 0.233 -0.00666 -0.25 0.26 0.00408 0.19 -0.0431 -0.1387 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E22 mock treatment 0.243 0.00334 0.12 0.257 0.00108 0.05 0.1228 0.9191 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E23 mock treatment 0.243 0.00334 0.12 0.256 8.36E-5 0.0 0.0904 0.7286 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base E24 mock treatment 0.214 -0.0257 -0.95 0.245 -0.0109 -0.5 -1.0284 -0.9544 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F01 mock treatment 0.228 -0.0117 -0.43 0.247 -0.00892 -0.41 -0.5955 -0.9995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F02 mock treatment 0.233 -0.00666 -0.25 0.261 0.00508 0.23 -0.0107 -0.0314 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F03 mock treatment 0.247 0.00734 0.27 0.266 0.0101 0.46 0.5194 0.9685 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F04 mock treatment 0.24 3.36E-4 0.01 0.262 0.00608 0.28 0.2058 0.7381 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F05 mock treatment 0.239 -6.64E-4 -0.02 0.264 0.00808 0.37 0.2443 0.6585 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F06 mock treatment 0.241 0.00134 0.05 0.264 0.00808 0.37 0.2969 0.7949 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F07 mock treatment 0.247 0.00734 0.27 0.265 0.00908 0.42 0.487 0.9791 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F08 mock treatment 0.251 0.0113 0.42 0.265 0.00908 0.42 0.5922 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F09 mock treatment 0.235 -0.00466 -0.17 0.266 0.0101 0.46 0.2038 0.4132 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F10 mock treatment 0.239 -6.64E-4 -0.02 0.261 0.00508 0.23 0.1471 0.6285 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F11 mock treatment 0.249 0.00934 0.35 0.265 0.00908 0.42 0.5396 0.996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F12 mock treatment 0.249 0.00934 0.35 0.265 0.00908 0.42 0.5396 0.996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F13 mock treatment 0.248 0.00834 0.31 0.267 0.0111 0.51 0.5781 0.9721 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F14 mock treatment 0.24 3.36E-4 0.01 0.265 0.00908 0.42 0.3029 0.728 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F15 mock treatment 0.248 0.00834 0.31 0.268 0.0121 0.55 0.6105 0.9625 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F16 mock treatment 0.248 0.00834 0.31 0.27 0.0141 0.64 0.6752 0.9437 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F17 mock treatment 0.25 0.0103 0.38 0.274 0.0181 0.83 0.8573 0.9391 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F18 mock treatment 0.249 0.00934 0.35 0.269 0.0131 0.6 0.6691 0.9664 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F19 mock treatment 0.251 0.0113 0.42 0.268 0.0121 0.55 0.6894 0.991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F20 mock treatment 0.241 0.00134 0.05 0.259 0.00308 0.14 0.135 0.9018 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F21 mock treatment 0.249 0.00934 0.35 0.262 0.00608 0.28 0.4425 0.994 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F22 mock treatment 0.234 -0.00566 -0.21 0.258 0.00208 0.1 -0.0815 -0.3525 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F23 mock treatment 0.235 -0.00466 -0.17 0.26 0.00408 0.19 0.0095 0.0374 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base F24 mock treatment 0.229 -0.0107 -0.4 0.257 0.00108 0.05 -0.2454 -0.6139 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G01 mock treatment 0.225 -0.0147 -0.55 0.25 -0.00592 -0.27 -0.5772 -0.9478 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G02 mock treatment 0.23 -0.00966 -0.36 0.26 0.00408 0.19 -0.122 -0.301 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G03 mock treatment 0.233 -0.00666 -0.25 0.257 0.00108 0.05 -0.1402 -0.5546 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G04 mock treatment 0.244 0.00434 0.16 0.259 0.00308 0.14 0.2139 0.9978 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G05 mock treatment 0.242 0.00234 0.09 0.259 0.00308 0.14 0.1613 0.9728 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G06 mock treatment 0.25 0.0103 0.38 0.264 0.00808 0.37 0.5336 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G07 mock treatment 0.246 0.00634 0.24 0.258 0.00208 0.1 0.2341 0.9208 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G08 mock treatment 0.252 0.0123 0.46 0.266 0.0101 0.46 0.6509 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G09 mock treatment 0.244 0.00434 0.16 0.252 -0.00392 -0.18 -0.0128 -0.0529 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G10 mock treatment 0.252 0.0123 0.46 0.265 0.00908 0.42 0.6185 0.9988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G11 mock treatment 0.244 0.00434 0.16 0.256 8.36E-5 0.0 0.1167 0.7237 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G12 mock treatment 0.238 -0.00166 -0.06 0.27 0.0141 0.64 0.4122 0.6363 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G13 mock treatment 0.247 0.00734 0.27 0.261 0.00508 0.23 0.3575 0.9969 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G14 mock treatment 0.237 -0.00266 -0.1 0.256 8.36E-5 0.0 -0.0674 -0.6793 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G15 mock treatment 0.241 0.00134 0.05 0.262 0.00608 0.28 0.2321 0.8203 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G16 mock treatment 0.243 0.00334 0.12 0.263 0.00708 0.32 0.3171 0.9131 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G17 mock treatment 0.248 0.00834 0.31 0.265 0.00908 0.42 0.5133 0.9895 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G18 mock treatment 0.236 -0.00366 -0.14 0.267 0.0111 0.51 0.2625 0.4995 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G19 mock treatment 0.245 0.00534 0.2 0.255 -9.16E-4 -0.04 0.1107 0.5455 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G20 mock treatment 0.239 -6.64E-4 -0.02 0.26 0.00408 0.19 0.1147 0.6084 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G21 mock treatment 0.248 0.00834 0.31 0.254 -0.00192 -0.09 0.1572 0.4878 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G22 mock treatment 0.236 -0.00366 -0.14 0.258 0.00208 0.1 -0.0289 -0.1738 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G23 mock treatment 0.228 -0.0117 -0.43 0.255 -9.16E-4 -0.04 -0.3364 -0.7719 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base G24 mock treatment 0.234 -0.00566 -0.21 0.248 -0.00792 -0.36 -0.4053 -0.9667 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H01 mock treatment 0.24 3.36E-4 0.01 0.254 -0.00192 -0.09 -0.0532 -0.6003 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H02 mock treatment 0.237 -0.00266 -0.1 0.253 -0.00292 -0.13 -0.1645 -0.9892 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H03 mock treatment 0.25 0.0103 0.38 0.26 0.00408 0.19 0.4041 0.9452 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H04 mock treatment 0.242 0.00234 0.09 0.257 0.00108 0.05 0.0965 0.9647 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H05 mock treatment 0.239 -6.64E-4 -0.02 0.261 0.00508 0.23 0.1471 0.6285 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H06 mock treatment 0.236 -0.00366 -0.14 0.258 0.00208 0.1 -0.0289 -0.1738 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H07 mock treatment 0.247 0.00734 0.27 0.266 0.0101 0.46 0.5194 0.9685 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H08 mock treatment 0.25 0.0103 0.38 0.255 -9.16E-4 -0.04 0.2422 0.6262 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H09 mock treatment 0.242 0.00234 0.09 0.261 0.00508 0.23 0.226 0.9097 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H10 mock treatment 0.247 0.00734 0.27 0.259 0.00308 0.14 0.2928 0.953 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H11 mock treatment 0.249 0.00934 0.35 0.26 0.00408 0.19 0.3778 0.9578 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H12 mock treatment 0.251 0.0113 0.42 0.255 -9.16E-4 -0.04 0.2685 0.6336 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H13 mock treatment 0.261 0.0213 0.79 0.261 0.00508 0.23 0.7257 0.8775 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H14 mock treatment 0.249 0.00934 0.35 0.259 0.00308 0.14 0.3454 0.9214 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H15 mock treatment 0.246 0.00634 0.24 0.261 0.00508 0.23 0.3312 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H16 mock treatment 0.249 0.00934 0.35 0.258 0.00208 0.1 0.313 0.8692 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H17 mock treatment 0.245 0.00534 0.2 0.269 0.0131 0.6 0.5639 0.8936 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H18 mock treatment 0.234 -0.00566 -0.21 0.259 0.00308 0.14 -0.0491 -0.1937 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H19 mock treatment 0.243 0.00334 0.12 0.263 0.00708 0.32 0.3171 0.9131 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H20 mock treatment 0.232 -0.00766 -0.29 0.255 -9.16E-4 -0.04 -0.2312 -0.8025 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H21 mock treatment 0.226 -0.0137 -0.51 0.258 0.00208 0.1 -0.2919 -0.5645 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H22 mock treatment 0.231 -0.00866 -0.32 0.258 0.00208 0.1 -0.1604 -0.4773 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H23 mock treatment 0.534 0.294 10.95 0.26 0.00408 0.19 7.8735 0.7191 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base H24 mock treatment 0.235 -0.00466 -0.17 0.248 -0.00792 -0.36 -0.379 -0.9431 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I01 mock treatment 0.232 -0.00766 -0.29 0.26 0.00408 0.19 -0.0694 -0.2035 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I02 mock treatment 0.251 0.0113 0.42 0.262 0.00608 0.28 0.4951 0.9797 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I03 mock treatment 0.26 0.0203 0.76 0.264 0.00808 0.37 0.7966 0.9459 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I04 mock treatment 0.26 0.0203 0.76 0.261 0.00508 0.23 0.6994 0.8838 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I05 mock treatment 0.247 0.00734 0.27 0.266 0.0101 0.46 0.5194 0.9685 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I06 mock treatment 0.242 0.00234 0.09 0.271 0.0151 0.69 0.5498 0.7898 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I07 mock treatment 0.239 -6.64E-4 -0.02 0.265 0.00908 0.42 0.2766 0.6639 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I08 mock treatment 0.252 0.0123 0.46 0.266 0.0101 0.46 0.6509 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I09 mock treatment 0.253 0.0133 0.5 0.258 0.00208 0.1 0.4182 0.8279 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I10 mock treatment 0.254 0.0143 0.53 0.268 0.0121 0.55 0.7683 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I11 mock treatment 0.253 0.0133 0.5 0.264 0.00808 0.37 0.6125 0.9896 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I12 mock treatment 0.259 0.0193 0.72 0.273 0.0171 0.78 1.0617 0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I13 mock treatment 0.252 0.0123 0.46 0.268 0.0121 0.55 0.7157 0.9957 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I14 mock treatment 0.258 0.0183 0.68 0.263 0.00708 0.32 0.7116 0.9423 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I15 mock treatment 0.254 0.0143 0.53 0.26 0.00408 0.19 0.5093 0.9013 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I16 mock treatment 0.255 0.0153 0.57 0.265 0.00908 0.42 0.6974 0.988 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I17 mock treatment 0.263 0.0233 0.87 0.268 0.0121 0.55 1.005 0.9763 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I18 mock treatment 0.265 0.0253 0.94 0.268 0.0121 0.55 1.0576 0.9678 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I19 mock treatment 0.254 0.0143 0.53 0.264 0.00808 0.37 0.6388 0.9841 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I20 mock treatment 0.254 0.0143 0.53 0.263 0.00708 0.32 0.6064 0.9716 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I21 mock treatment 0.252 0.0123 0.46 0.259 0.00308 0.14 0.4243 0.8838 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I22 mock treatment 0.25 0.0103 0.38 0.264 0.00808 0.37 0.5336 0.9998 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I23 mock treatment 0.242 0.00234 0.09 0.26 0.00408 0.19 0.1936 0.9392 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base I24 mock treatment 0.238 -0.00166 -0.06 0.251 -0.00492 -0.23 -0.2029 -0.8693 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J01 mock treatment 0.232 -0.00766 -0.29 0.249 -0.00692 -0.32 -0.4255 -0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J02 mock treatment 0.243 0.00334 0.12 0.252 -0.00392 -0.18 -0.0391 -0.1791 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J03 mock treatment 0.248 0.00834 0.31 0.255 -9.16E-4 -0.04 0.1896 0.6059 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J04 mock treatment 0.246 0.00634 0.24 0.259 0.00308 0.14 0.2665 0.97 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J05 mock treatment 0.248 0.00834 0.31 0.262 0.00608 0.28 0.4162 0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J06 mock treatment 0.247 0.00734 0.27 0.262 0.00608 0.28 0.3899 0.9999 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J07 mock treatment 0.253 0.0133 0.5 0.259 0.00308 0.14 0.4506 0.8737 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J08 mock treatment 0.257 0.0173 0.64 0.257 0.00108 0.05 0.491 0.7593 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J09 mock treatment 0.247 0.00734 0.27 0.259 0.00308 0.14 0.2928 0.953 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J10 mock treatment 0.246 0.00634 0.24 0.253 -0.00292 -0.13 0.0722 0.2666 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J11 mock treatment 0.245 0.00534 0.2 0.26 0.00408 0.19 0.2726 0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J12 mock treatment 0.242 0.00234 0.09 0.258 0.00208 0.1 0.1289 0.9989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J13 mock treatment 0.238 -0.00166 -0.06 0.259 0.00308 0.14 0.0561 0.3637 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J14 mock treatment 0.238 -0.00166 -0.06 0.255 -9.16E-4 -0.04 -0.0734 -0.9821 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J15 mock treatment 0.246 0.00634 0.24 0.256 8.36E-5 0.0 0.1693 0.7185 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J16 mock treatment 0.242 0.00234 0.09 0.259 0.00308 0.14 0.1613 0.9728 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J17 mock treatment 0.255 0.0153 0.57 0.264 0.00808 0.37 0.6651 0.9781 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J18 mock treatment 0.245 0.00534 0.2 0.255 -9.16E-4 -0.04 0.1107 0.5455 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J19 mock treatment 0.248 0.00834 0.31 0.261 0.00508 0.23 0.3838 0.99 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J20 mock treatment 0.247 0.00734 0.27 0.256 8.36E-5 0.0 0.1956 0.717 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J21 mock treatment 0.24 3.36E-4 0.01 0.261 0.00508 0.23 0.1734 0.744 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J22 mock treatment 0.239 -6.64E-4 -0.02 0.255 -9.16E-4 -0.04 -0.0471 -0.9681 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J23 mock treatment 0.246 0.00634 0.24 0.251 -0.00492 -0.23 0.0075 0.0229 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base J24 mock treatment 0.232 -0.00766 -0.29 0.242 -0.0139 -0.64 -0.6521 -0.9342 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K01 mock treatment 0.234 -0.00566 -0.21 0.258 0.00208 0.1 -0.0815 -0.3525 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K02 mock treatment 0.244 0.00434 0.16 0.248 -0.00792 -0.36 -0.1423 -0.3586 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K03 mock treatment 0.241 0.00134 0.05 0.262 0.00608 0.28 0.2321 0.8203 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K04 mock treatment 0.243 0.00334 0.12 0.258 0.00208 0.1 0.1552 0.9916 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K05 mock treatment 0.243 0.00334 0.12 0.265 0.00908 0.42 0.3818 0.8797 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K06 mock treatment 0.244 0.00434 0.16 0.267 0.0111 0.51 0.4729 0.8881 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K07 mock treatment 0.239 -6.64E-4 -0.02 0.255 -9.16E-4 -0.04 -0.0471 -0.9681 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K08 mock treatment 0.243 0.00334 0.12 0.266 0.0101 0.46 0.4142 0.8664 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K09 mock treatment 0.238 -0.00166 -0.06 0.26 0.00408 0.19 0.0884 0.4491 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K10 mock treatment 0.24 3.36E-4 0.01 0.253 -0.00292 -0.13 -0.0856 -0.6381 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K11 mock treatment 0.253 0.0133 0.5 0.265 0.00908 0.42 0.6448 0.9962 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K12 mock treatment 0.24 3.36E-4 0.01 0.261 0.00508 0.23 0.1734 0.744 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K13 mock treatment 0.236 -0.00366 -0.14 0.269 0.0131 0.6 0.3272 0.5326 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K14 mock treatment 0.245 0.00534 0.2 0.256 8.36E-5 0.0 0.143 0.7206 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K15 mock treatment 0.253 0.0133 0.5 0.262 0.00608 0.28 0.5477 0.9628 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K16 mock treatment 0.241 0.00134 0.05 0.264 0.00808 0.37 0.2969 0.7949 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K17 mock treatment 0.243 0.00334 0.12 0.268 0.0121 0.55 0.479 0.8447 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K18 mock treatment 0.246 0.00634 0.24 0.259 0.00308 0.14 0.2665 0.97 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K19 mock treatment 0.24 3.36E-4 0.01 0.261 0.00508 0.23 0.1734 0.744 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K20 mock treatment 0.249 0.00934 0.35 0.256 8.36E-5 0.0 0.2482 0.7149 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K21 mock treatment 0.242 0.00234 0.09 0.26 0.00408 0.19 0.1936 0.9392 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K22 mock treatment 0.239 -6.64E-4 -0.02 0.256 8.36E-5 0.0 -0.0148 -0.5905 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K23 mock treatment 0.249 0.00934 0.35 0.259 0.00308 0.14 0.3454 0.9214 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base K24 mock treatment 0.235 -0.00466 -0.17 0.256 8.36E-5 0.0 -0.12 -0.6913 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L01 mock treatment 0.244 0.00434 0.16 0.261 0.00508 0.23 0.2786 0.9839 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L02 mock treatment 0.252 0.0123 0.46 0.258 0.00208 0.1 0.3919 0.8362 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L03 mock treatment 0.254 0.0143 0.53 0.258 0.00208 0.1 0.4445 0.8206 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L04 mock treatment 0.264 0.0243 0.91 0.263 0.00708 0.32 0.8694 0.9042 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L05 mock treatment 0.26 0.0203 0.76 0.265 0.00908 0.42 0.8289 0.9603 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L06 mock treatment 0.252 0.0123 0.46 0.264 0.00808 0.37 0.5862 0.9943 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L07 mock treatment 0.249 0.00934 0.35 0.256 8.36E-5 0.0 0.2482 0.7149 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L08 mock treatment 0.251 0.0113 0.42 0.256 8.36E-5 0.0 0.3009 0.7135 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L09 mock treatment 0.252 0.0123 0.46 0.257 0.00108 0.05 0.3595 0.779 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L10 mock treatment 0.267 0.0273 1.02 0.26 0.00408 0.19 0.8512 0.8233 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L11 mock treatment 0.248 0.00834 0.31 0.258 0.00208 0.1 0.2867 0.8838 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L12 mock treatment 0.255 0.0153 0.57 0.262 0.00608 0.28 0.6003 0.9457 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L13 mock treatment 0.254 0.0143 0.53 0.262 0.00608 0.28 0.574 0.9541 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L14 mock treatment 0.246 0.00634 0.24 0.261 0.00508 0.23 0.3312 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L15 mock treatment 0.252 0.0123 0.46 0.259 0.00308 0.14 0.4243 0.8838 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L16 mock treatment 0.251 0.0113 0.42 0.264 0.00808 0.37 0.5599 0.9979 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L17 mock treatment 0.259 0.0193 0.72 0.266 0.0101 0.46 0.835 0.977 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L18 mock treatment 0.255 0.0153 0.57 0.262 0.00608 0.28 0.6003 0.9457 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L19 mock treatment 0.254 0.0143 0.53 0.259 0.00308 0.14 0.4769 0.8645 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L20 mock treatment 0.243 0.00334 0.12 0.265 0.00908 0.42 0.3818 0.8797 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L21 mock treatment 0.244 0.00434 0.16 0.257 0.00108 0.05 0.1491 0.8838 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L22 mock treatment 0.248 0.00834 0.31 0.262 0.00608 0.28 0.4162 0.9986 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L23 mock treatment 0.241 0.00134 0.05 0.261 0.00508 0.23 0.1997 0.8392 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base L24 mock treatment 0.227 -0.0127 -0.47 0.254 -0.00192 -0.09 -0.3951 -0.8246 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M01 mock treatment 0.238 -0.00166 -0.06 0.253 -0.00292 -0.13 -0.1382 -0.9389 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M02 mock treatment 0.241 0.00134 0.05 0.257 0.00108 0.05 0.0702 1.0 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M03 mock treatment 0.247 0.00734 0.27 0.259 0.00308 0.14 0.2928 0.953 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M04 mock treatment 0.241 0.00134 0.05 0.258 0.00208 0.1 0.1026 0.9538 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M05 mock treatment 0.242 0.00234 0.09 0.258 0.00208 0.1 0.1289 0.9989 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M06 mock treatment 0.246 0.00634 0.24 0.262 0.00608 0.28 0.3636 0.9965 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M07 mock treatment 0.245 0.00534 0.2 0.253 -0.00292 -0.13 0.0459 0.1919 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M08 mock treatment 0.244 0.00434 0.16 0.259 0.00308 0.14 0.2139 0.9978 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M09 mock treatment 0.239 -6.64E-4 -0.02 0.256 8.36E-5 0.0 -0.0148 -0.5905 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M10 mock treatment 0.242 0.00234 0.09 0.257 0.00108 0.05 0.0965 0.9647 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M11 mock treatment 0.242 0.00234 0.09 0.257 0.00108 0.05 0.0965 0.9647 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M12 mock treatment 0.246 0.00634 0.24 0.256 8.36E-5 0.0 0.1693 0.7185 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M13 mock treatment 0.244 0.00434 0.16 0.262 0.00608 0.28 0.311 0.9662 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M14 mock treatment 0.247 0.00734 0.27 0.26 0.00408 0.19 0.3252 0.983 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M15 mock treatment 0.244 0.00434 0.16 0.256 8.36E-5 0.0 0.1167 0.7237 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M16 mock treatment 0.243 0.00334 0.12 0.264 0.00808 0.37 0.3495 0.8952 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M17 mock treatment 0.246 0.00634 0.24 0.254 -0.00192 -0.09 0.1046 0.4159 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M18 mock treatment 0.238 -0.00166 -0.06 0.265 0.00908 0.42 0.2503 0.5953 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M19 mock treatment 0.244 0.00434 0.16 0.254 -0.00192 -0.09 0.052 0.2832 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M20 mock treatment 0.243 0.00334 0.12 0.26 0.00408 0.19 0.2199 0.9802 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M21 mock treatment 0.242 0.00234 0.09 0.255 -9.16E-4 -0.04 0.0318 0.3292 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M22 mock treatment 0.251 0.0113 0.42 0.256 8.36E-5 0.0 0.3009 0.7135 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M23 mock treatment 0.246 0.00634 0.24 0.254 -0.00192 -0.09 0.1046 0.4159 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base M24 mock treatment 0.224 -0.0157 -0.58 0.251 -0.00492 -0.23 -0.5712 -0.9144 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N01 mock treatment 0.239 -6.64E-4 -0.02 0.249 -0.00692 -0.32 -0.2414 -0.7599 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N02 mock treatment 0.242 0.00234 0.09 0.251 -0.00492 -0.23 -0.0977 -0.4051 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N03 mock treatment 0.245 0.00534 0.2 0.256 8.36E-5 0.0 0.143 0.7206 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N04 mock treatment 0.239 -6.64E-4 -0.02 0.25 -0.00592 -0.27 -0.209 -0.7684 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N05 mock treatment 0.237 -0.00266 -0.1 0.264 0.00808 0.37 0.1916 0.5002 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N06 mock treatment 0.238 -0.00166 -0.06 0.254 -0.00192 -0.09 -0.1058 -0.9854 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N07 mock treatment 0.24 3.36E-4 0.01 0.254 -0.00192 -0.09 -0.0532 -0.6003 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N08 mock treatment 0.236 -0.00366 -0.14 0.256 8.36E-5 0.0 -0.0937 -0.687 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N09 mock treatment 0.238 -0.00166 -0.06 0.255 -9.16E-4 -0.04 -0.0734 -0.9821 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N10 mock treatment 0.24 3.36E-4 0.01 0.254 -0.00192 -0.09 -0.0532 -0.6003 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N11 mock treatment 0.238 -0.00166 -0.06 0.252 -0.00392 -0.18 -0.1706 -0.8991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N12 mock treatment 0.241 0.00134 0.05 0.253 -0.00292 -0.13 -0.0593 -0.4161 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N13 mock treatment 0.245 0.00534 0.2 0.26 0.00408 0.19 0.2726 0.9996 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N14 mock treatment 0.239 -6.64E-4 -0.02 0.254 -0.00192 -0.09 -0.0795 -0.8722 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N15 mock treatment 0.239 -6.64E-4 -0.02 0.259 0.00308 0.14 0.0824 0.5747 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N16 mock treatment 0.246 0.00634 0.24 0.257 0.00108 0.05 0.2017 0.8376 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N17 mock treatment 0.249 0.00934 0.35 0.256 8.36E-5 0.0 0.2482 0.7149 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N18 mock treatment 0.239 -6.64E-4 -0.02 0.251 -0.00492 -0.23 -0.1766 -0.78 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N19 mock treatment 0.245 0.00534 0.2 0.257 0.00108 0.05 0.1754 0.8575 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N20 mock treatment 0.238 -0.00166 -0.06 0.258 0.00208 0.1 0.0237 0.2083 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N21 mock treatment 0.243 0.00334 0.12 0.256 8.36E-5 0.0 0.0904 0.7286 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N22 mock treatment 0.242 0.00234 0.09 0.252 -0.00392 -0.18 -0.0654 -0.328 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N23 mock treatment 0.233 -0.00666 -0.25 0.286 0.0301 1.38 0.7987 0.5707 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base N24 mock treatment 0.215 -0.0247 -0.92 0.246 -0.00992 -0.45 -0.9697 -0.9474 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O01 mock treatment 0.234 -0.00566 -0.21 0.247 -0.00892 -0.41 -0.4377 -0.9526 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O02 mock treatment 0.235 -0.00466 -0.17 0.247 -0.00892 -0.41 -0.4113 -0.9273 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O03 mock treatment 0.232 -0.00766 -0.29 0.244 -0.0119 -0.55 -0.5874 -0.9542 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O04 mock treatment 0.233 -0.00666 -0.25 0.237 -0.0189 -0.87 -0.7877 -0.8744 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O05 mock treatment 0.24 3.36E-4 0.01 0.25 -0.00592 -0.27 -0.1827 -0.6738 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O06 mock treatment 0.239 -6.64E-4 -0.02 0.255 -9.16E-4 -0.04 -0.0471 -0.9681 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O07 mock treatment 0.235 -0.00466 -0.17 0.244 -0.0119 -0.55 -0.5085 -0.8881 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O08 mock treatment 0.247 0.00734 0.27 0.228 -0.0279 -1.28 -0.7109 -0.5439 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O09 mock treatment 0.239 -6.64E-4 -0.02 0.243 -0.0129 -0.59 -0.4357 -0.736 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O10 mock treatment 0.238 -0.00166 -0.06 0.245 -0.0109 -0.5 -0.3972 -0.7886 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O11 mock treatment 0.241 0.00134 0.05 0.233 -0.0229 -1.05 -0.7068 -0.6729 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O12 mock treatment 0.246 0.00634 0.24 0.246 -0.00992 -0.45 -0.1544 -0.3019 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O13 mock treatment 0.238 -0.00166 -0.06 0.261 0.00508 0.23 0.1208 0.5016 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O14 mock treatment 0.239 -6.64E-4 -0.02 0.253 -0.00292 -0.13 -0.1119 -0.8239 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O15 mock treatment 0.247 0.00734 0.27 0.247 -0.00892 -0.41 -0.0957 -0.195 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O16 mock treatment 0.238 -0.00166 -0.06 0.239 -0.0169 -0.77 -0.5915 -0.7612 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O17 mock treatment 0.243 0.00334 0.12 0.245 -0.0109 -0.5 -0.2657 -0.5159 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O18 mock treatment 0.241 0.00134 0.05 0.255 -9.16E-4 -0.04 0.0055 0.084 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O19 mock treatment 0.239 -6.64E-4 -0.02 0.249 -0.00692 -0.32 -0.2414 -0.7599 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O20 mock treatment 0.238 -0.00166 -0.06 0.257 0.00108 0.05 -0.0087 -0.1095 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O21 mock treatment 0.239 -6.64E-4 -0.02 0.244 -0.0119 -0.55 -0.4033 -0.7384 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O22 mock treatment 0.243 0.00334 0.12 0.253 -0.00292 -0.13 -0.0067 -0.0367 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O23 mock treatment 0.239 -6.64E-4 -0.02 0.249 -0.00692 -0.32 -0.2414 -0.7599 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base O24 mock treatment 0.216 -0.0237 -0.88 0.247 -0.00892 -0.41 -0.9111 -0.939 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P01 mock treatment 0.214 -0.0257 -0.95 0.229 -0.0269 -1.23 -1.5464 -0.992 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P02 mock treatment 0.221 -0.0187 -0.69 0.242 -0.0139 -0.64 -0.9414 -0.9991 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P03 mock treatment 0.234 -0.00566 -0.21 0.249 -0.00692 -0.32 -0.3729 -0.9804 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P04 mock treatment 0.243 0.00334 0.12 0.237 -0.0189 -0.87 -0.5247 -0.5997 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P05 mock treatment 0.235 -0.00466 -0.17 0.255 -9.16E-4 -0.04 -0.1523 -0.8535 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P06 mock treatment 0.237 -0.00266 -0.1 0.249 -0.00692 -0.32 -0.294 -0.886 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P07 mock treatment 0.244 0.00434 0.16 0.25 -0.00592 -0.27 -0.0775 -0.2459 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P08 mock treatment 0.235 -0.00466 -0.17 0.255 -9.16E-4 -0.04 -0.1523 -0.8535 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P09 mock treatment 0.24 3.36E-4 0.01 0.251 -0.00492 -0.23 -0.1503 -0.6668 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P10 mock treatment 0.237 -0.00266 -0.1 0.244 -0.0119 -0.55 -0.4559 -0.8221 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P11 mock treatment 0.242 0.00234 0.09 0.248 -0.00792 -0.36 -0.1949 -0.5228 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P12 mock treatment 0.241 0.00134 0.05 0.256 8.36E-5 0.0 0.0378 0.7593 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P13 mock treatment 0.234 -0.00566 -0.21 0.247 -0.00892 -0.41 -0.4377 -0.9526 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P14 mock treatment 0.24 3.36E-4 0.01 0.256 8.36E-5 0.0 0.0115 0.8831 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P15 mock treatment 0.242 0.00234 0.09 0.253 -0.00292 -0.13 -0.033 -0.207 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P16 mock treatment 0.237 -0.00266 -0.1 0.258 0.00208 0.1 -0.0026 -0.019 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P17 mock treatment 0.244 0.00434 0.16 0.252 -0.00392 -0.18 -0.0128 -0.0529 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P18 mock treatment 0.237 -0.00266 -0.1 0.253 -0.00292 -0.13 -0.1645 -0.9892 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P19 mock treatment 0.246 0.00634 0.24 0.254 -0.00192 -0.09 0.1046 0.4159 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P20 mock treatment 0.243 0.00334 0.12 0.259 0.00308 0.14 0.1876 0.9979 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P21 mock treatment 0.245 0.00534 0.2 0.248 -0.00792 -0.36 -0.116 -0.2806 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P22 mock treatment 0.242 0.00234 0.09 0.251 -0.00492 -0.23 -0.0977 -0.4051 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P23 mock treatment 0.223 -0.0167 -0.62 0.247 -0.00892 -0.41 -0.727 -0.9795 1051.0015 OpticalDensity(1051.0015) HemeDetoxification 1051.0015.Base P24 mock treatment 0.208 -0.0317 -1.18 0.229 -0.0269 -1.23 -1.7042 -0.9997