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 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A01 compound treatment 0.386 0.036 1.0 0.395 0.045 1.0 -1.0 -1.0 1970257 ChemDiv1_000001 CCCCOc1ccc(OCCCC)c2NC3(Nc21)C(=O)N(C(=O)C)c4ccccc43 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A02 compound treatment 0.366 0.016 1.0 0.379 0.029 1.0 -1.0 -1.0 1279657 ChemDiv1_000002 O=S(=O)(NCCN1CCCC1)c2cccc3nsnc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A03 compound treatment 0.359 0.009 1.0 0.352 0.002 1.0 -1.0 -1.0 1970258 ChemDiv1_000003 COc1cccc(c1)C(=O)N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A04 compound treatment 0.375 0.025 1.0 0.363 0.013 1.0 -1.0 -1.0 1066415 ChemDiv1_000004 O=C1Nc2ccccc2C31OCCO3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A05 compound treatment 0.374 0.024 1.0 0.37 0.02 1.0 -1.0 -1.0 1223758 ChemDiv1_000005 COc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A06 compound treatment 0.354 0.004 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970259 ChemDiv1_000006 [O-][N+](=O)c1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)Nc4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A07 compound treatment 0.366 0.016 1.0 0.354 0.004 1.0 -1.0 -1.0 1430964 ChemDiv1_000007 OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A08 compound treatment 0.375 0.025 1.0 0.36 0.01 1.0 -1.0 -1.0 1011615 ChemDiv1_000008 OC(=O)CSc1nc2ccccc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A09 compound treatment 0.384 0.034 1.0 0.361 0.011 1.0 -1.0 -1.0 1970260 ChemDiv1_000009 CCOc1ccc(CC2S/C(=N\c3ccccn3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A10 compound treatment 0.358 0.008 1.0 0.353 0.003 1.0 -1.0 -1.0 1970261 ChemDiv1_000010 CCCCOc1ccc(cc1)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A11 compound treatment 0.369 0.019 1.0 0.359 0.009 1.0 -1.0 -1.0 1970262 ChemDiv1_000011 CCOc1ccc(cc1)N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c3ccc(SC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A12 compound treatment 0.637 0.287 1.0 0.509 0.159 1.0 -1.0 -1.0 1940305 ChemDiv1_000012 OC(=O)CN1C(=O)/C(=C\c2ccc(o2)c3cccc4C(=O)c5ccccc5C(=O)c34)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A13 compound treatment 0.417 0.067 1.0 0.437 0.087 1.0 -1.0 -1.0 1138293 ChemDiv1_000013 COc1ccc2occ(C(=O)c3oc4ccccc4c3N)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A14 compound treatment 0.357 0.007 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970263 ChemDiv1_000014 [O-][N+](=O)c1cccc2C(=O)N(CCc3c[nH]c4ccc(OCc5ccccc5)cc34)C(=O)c21 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A15 compound treatment 0.355 0.005 1.0 0.354 0.004 1.0 -1.0 -1.0 1970264 ChemDiv1_000015 FC(F)(F)Oc1ccc2n(Cc3ccccn3)c4nc5ccccc5nc4c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A16 compound treatment 0.374 0.024 1.0 0.358 0.008 1.0 -1.0 -1.0 1254645 ChemDiv1_000016 Cc1cccc(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A17 compound treatment 0.368 0.018 1.0 0.351 0.001 1.0 -1.0 -1.0 1970265 ChemDiv1_000017 CCCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Nc3ccc(O)c4C(=O)c5ccccc5C(=O)c34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A18 compound treatment 0.371 0.021 1.0 0.354 0.004 1.0 -1.0 -1.0 1970266 ChemDiv1_000018 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A19 compound treatment 0.375 0.025 1.0 0.355 0.005 1.0 -1.0 -1.0 1125404 ChemDiv1_000019 OC(=O)c1cc(Br)ccc1NS(=O)(=O)c2cccc3nsnc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A20 compound treatment 0.359 0.009 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1181611 ChemDiv1_000020 CCSc1nnc(NC(=O)c2cccc(n2)C(=O)Nc3nnc(SCC)s3)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A21 compound treatment 0.366 0.016 1.0 0.353 0.003 1.0 -1.0 -1.0 1401741 ChemDiv1_000021 OC(=O)c1ccc2OCCOc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A22 compound treatment 0.362 0.012 1.0 0.351 0.001 1.0 -1.0 -1.0 1555020 ChemDiv1_000022 COc1ccc2n(C(=O)C)c3nc4cc5ccccc5cc4nc3c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 A24 positive control 0.081 -0.269 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B01 compound treatment 0.399 0.049 1.0 0.391 0.041 1.0 -1.0 -1.0 1918036 ChemDiv1_000023 Fc1cccc(c1)N2N=C(CC2c3cccs3)/C=C/c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B02 compound treatment 0.357 0.007 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1970267 ChemDiv1_000024 [O-][N+](=O)c1ccccc1C2CC(=NN2C(=O)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B03 compound treatment 0.373 0.023 1.0 0.353 0.003 1.0 -1.0 -1.0 1683926 ChemDiv1_000025 Cc1nc2sc(C(=O)Nc3ccc(Br)cc3)c(N)c2c(C)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B04 compound treatment 0.369 0.019 1.0 0.35 0.0 -1.0 -1.0 -1.0 1931087 ChemDiv1_000026 CCc1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B05 compound treatment 0.479 0.129 1.0 0.466 0.116 1.0 -1.0 -1.0 1970268 ChemDiv1_000027 CN(C)c1ccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B06 compound treatment 0.36 0.01 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1408583 ChemDiv1_000028 CC(C)OC(=O)CSc1nc2CCCCc2c(c1C#N)c3ccc(O)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B07 compound treatment 0.361 0.011 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1228728 ChemDiv1_000029 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B08 compound treatment 0.37 0.02 1.0 0.355 0.005 1.0 -1.0 -1.0 1970269 ChemDiv1_000030 Brc1ccc(Cn2c3ccccc3c4nc5cc6ccccc6cc5nc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B09 compound treatment 0.365 0.015 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970270 ChemDiv1_000031 [O-][N+](=O)c1cccc(NC(=O)c2ccc(Br)c(c2)S(=O)(=O)Nc3ccc(Cl)cc3)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B10 compound treatment 0.366 0.016 1.0 0.359 0.009 1.0 -1.0 -1.0 1970271 ChemDiv1_000032 [O-][N+](=O)c1cc2OCOc2cc1/C=C\3/S/C(=N\c4ccccc4)/NC3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B11 compound treatment 0.359 0.009 1.0 0.35 0.0 -1.0 -1.0 -1.0 1970272 ChemDiv1_000033 Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccc(NC(=O)c5ccc(N)cc5)cc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B12 compound treatment 0.372 0.022 1.0 0.35 0.0 -1.0 -1.0 -1.0 1516240 ChemDiv1_000034 COc1cc2ccccc2cc1C(=O)Nc3ccccc3c4nc5ccccc5[nH]4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B13 compound treatment 0.37 0.02 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1561584 ChemDiv1_000035 O=C(CN1C(=O)C2(OCCO2)c3ccccc13)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B14 compound treatment 0.389 0.039 1.0 0.375 0.025 1.0 -1.0 -1.0 1970273 ChemDiv1_000036 CCC(=O)N1N=C(CC1c2cccc(c2)[N+](=O)[O-])c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B15 compound treatment 0.366 0.016 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1970274 ChemDiv1_000037 Cc1nc(Nc2ccccc2)nc(Nc3ccccc3)c1[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B16 compound treatment 0.403 0.053 1.0 0.382 0.032 1.0 -1.0 -1.0 1970275 ChemDiv1_000038 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(N(C)C)c(c3)[N+](=O)[O-])/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B17 compound treatment 0.473 0.123 1.0 0.451 0.101 1.0 -1.0 -1.0 1938052 ChemDiv1_000039 CCOc1ccc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B18 compound treatment 0.368 0.018 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970276 ChemDiv1_000040 COc1ccc(OC)c(c1)C2NC(=O)NC(=C2C(=O)OCC(F)(F)C(F)(F)F)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B19 compound treatment 0.367 0.017 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970277 ChemDiv1_000041 CCCCc1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccc(CCCC)cc3)c4C(=O)c5ccccc5C(=O)c24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B20 compound treatment 0.362 0.012 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1650436 ChemDiv1_000042 Cc1nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B21 compound treatment 0.366 0.016 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970278 ChemDiv1_000043 OCCNC(=S)Nc1cccc(c1)c2nnc(S)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B22 compound treatment 0.355 0.005 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1127499 ChemDiv1_000044 CCOC(=O)c1c(oc2c1cc(OC(=O)C(C)(C)C)c3ccccc23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 B24 positive control 0.082 -0.268 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C01 compound treatment 0.396 0.046 1.0 0.382 0.032 1.0 -1.0 -1.0 1512828 ChemDiv1_000045 COc1ccc2[nH]c3C(=O)NCCc3c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C02 compound treatment 0.364 0.014 1.0 0.352 0.002 1.0 -1.0 -1.0 1711661 ChemDiv1_000046 O=S(=O)(N(CCC#N)CCN1CCCC1)c2cccc3nsnc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C03 compound treatment 0.369 0.019 1.0 0.355 0.005 1.0 -1.0 -1.0 1280699 ChemDiv1_000047 Cc1ccc(c2nsnc12)S(=O)(=O)NCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C04 compound treatment 0.39 0.04 1.0 0.382 0.032 1.0 -1.0 -1.0 1970279 ChemDiv1_000048 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccc(cc3)N(CCCl)CCCl)NC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C05 compound treatment 0.353 0.003 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1915748 ChemDiv1_000049 CCN(CC)CCCC(C)Nc1nc(C)nc2cc(Cl)ccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C06 compound treatment 0.377 0.027 1.0 0.361 0.011 1.0 -1.0 -1.0 1970280 ChemDiv1_000050 Nc1c(Sc2ccccc2)cc(Sc3ccccc3)c4C(=O)c5ccccc5C(=O)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C07 compound treatment 0.382 0.032 1.0 0.357 0.007 1.0 -1.0 -1.0 1970281 ChemDiv1_000051 COC(=O)CSc1nnc(COc2ccccc2)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C08 compound treatment 0.373 0.023 1.0 0.355 0.005 1.0 -1.0 -1.0 1058173 ChemDiv1_000052 COC(=O)Nc1nc2ccccc2[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C09 compound treatment 0.385 0.035 1.0 0.356 0.006 1.0 -1.0 -1.0 1970282 ChemDiv1_000053 NS(=O)(=O)c1ccc(O)c(c1)N2C(=O)c3cccc4c(ccc(C2=O)c34)C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C10 compound treatment 0.376 0.026 1.0 0.355 0.005 1.0 -1.0 -1.0 1970283 ChemDiv1_000054 CCCCOc1ccc(cc1)C(=O)Nc2ccc3nc(C)sc3c2Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C11 compound treatment 0.454 0.104 1.0 0.44 0.09 1.0 -1.0 -1.0 1970284 ChemDiv1_000055 OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNc3c4ccccc4nc5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C12 compound treatment 0.387 0.037 1.0 0.358 0.008 1.0 -1.0 -1.0 1970285 ChemDiv1_000056 COc1ccccc1N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C13 compound treatment 0.439 0.089 1.0 0.417 0.067 1.0 -1.0 -1.0 1970286 ChemDiv1_000057 CC1CCc2cc(F)ccc2N1C(=O)Cn3c4ccccc4c(=O)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C14 compound treatment 0.391 0.041 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970287 ChemDiv1_000058 CCN(CC)CCOC(=O)c1ccc2nc(NC(=O)c3ccc(cc3)C(=O)OC)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C15 compound treatment 0.359 0.009 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1350900 ChemDiv1_000059 COC(=O)c1ccc2c(=O)n(CCc3ccc(cc3)S(=O)(=O)N)c(SCC(=O)Nc4ccc(cc4)N(C)C)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C16 compound treatment 0.357 0.007 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1388357 ChemDiv1_000060 COc1cccc(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C17 compound treatment 0.376 0.026 1.0 0.354 0.004 1.0 -1.0 -1.0 1970288 ChemDiv1_000061 CCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Nc3ccc(Cl)c4C(=O)c5ccccc5C(=O)c34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C18 compound treatment 0.37 0.02 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1269141 ChemDiv1_000062 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C19 compound treatment 0.378 0.028 1.0 0.357 0.007 1.0 -1.0 -1.0 1136461 ChemDiv1_000063 Clc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(c1)C(=O)Nc4cccc5nsnc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C20 compound treatment 0.359 0.009 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1970289 ChemDiv1_000064 O=C(Nc1nc[nH]n1)c2cccs2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C21 compound treatment 0.362 0.012 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970290 ChemDiv1_000065 Cc1nc2ccc(NC(=O)c3ccc(cc3)[N+](=O)[O-])cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C22 compound treatment 0.36 0.01 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1558076 ChemDiv1_000066 CCNc1ccc(Br)cc1c2nc3ccccc3n(CC)c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 C24 positive control 0.087 -0.263 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D01 compound treatment 0.389 0.039 1.0 0.373 0.023 1.0 -1.0 -1.0 1970291 ChemDiv1_000067 Brc1ccc2[nH]c(=O)c(C3=NN(C(C3)c4ccccc4)C(=O)CN5CCOCC5)c(c6ccccc6)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D02 compound treatment 0.378 0.028 1.0 0.361 0.011 1.0 -1.0 -1.0 1198196 ChemDiv1_000068 O=c1oc2ccccc2cc1c3nnc(o3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D03 compound treatment 0.363 0.013 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970292 ChemDiv1_000069 CCc1c(C)nc(SCC(=O)Nc2ccc(Br)cc2)c(C#N)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D04 compound treatment 0.373 0.023 1.0 0.352 0.002 1.0 -1.0 -1.0 1678998 ChemDiv1_000070 COC(=O)c1sc2nc(cc(c3ccc(OC)cc3)c2c1N)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D05 compound treatment 0.369 0.019 1.0 0.352 0.002 1.0 -1.0 -1.0 1970293 ChemDiv1_000071 COc1ccc(Nc2nc(NN)nc(n2)N3CCOCC3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D06 compound treatment 0.364 0.014 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1013280 ChemDiv1_000072 OC(=O)CSc1nc2ccccc2[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D07 compound treatment 0.401 0.051 1.0 0.369 0.019 1.0 -1.0 -1.0 1668295 ChemDiv1_000073 NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D08 compound treatment 0.405 0.055 1.0 0.39 0.04 1.0 -1.0 -1.0 1970294 ChemDiv1_000074 CCOc1cc(Br)c(Br)c(/C=C/2\SC(=S)N(CC(=O)O)C2=O)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D09 compound treatment 0.367 0.017 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1159208 ChemDiv1_000075 COc1ccc(cc1)C(=O)Nc2ccc3nc(C)sc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D10 compound treatment 0.382 0.032 1.0 0.358 0.008 1.0 -1.0 -1.0 1970295 ChemDiv1_000076 OC(=O)c1cccc(c1)c2ccc(/C=C/3\S\C(=N/c4ccccc4)\NC3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D11 compound treatment 0.384 0.034 1.0 0.358 0.008 1.0 -1.0 -1.0 1970296 ChemDiv1_000077 CCOCCOC(=O)C1=C(C)NC(=O)NC1c2ccc(OCc3ccccc3)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D12 compound treatment 0.378 0.028 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1970297 ChemDiv1_000078 [O-][N+](=O)c1cc(C(=O)Nc2ccccc2c3nc4ccccc4[nH]3)c(Cl)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D13 compound treatment 0.363 0.013 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1556786 ChemDiv1_000079 Clc1ccc(cc1)C(=O)CN2C(=O)C3(OCCO3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D14 compound treatment 0.361 0.011 1.0 0.322 -0.028 -1.0 -1.0 -1.0 1970298 ChemDiv1_000080 NS(=O)(=O)c1ccc(Nc2nc(c3ccccc3)c4cc(Br)ccc4n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D15 compound treatment 0.355 0.005 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1138134 ChemDiv1_000081 CN1CCN(CC1)c2nnc(c3ccc(Cl)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D16 compound treatment 0.336 -0.014 -1.0 0.302 -0.048 -1.0 -1.0 -1.0 1970299 ChemDiv1_000082 COc1ccc(cc1)N2C(=O)/C(=C\c3cn(C(=O)C)c4ccccc34)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D17 compound treatment 0.916 0.566 1.0 0.868 0.518 1.0 -1.0 -1.0 1970300 ChemDiv1_000083 COc1ccc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D18 compound treatment 0.352 0.002 1.0 0.329 -0.021 -1.0 -1.0 -1.0 1970301 ChemDiv1_000084 CCCOc1ccccc1C2NC(=O)NC(=C2C(=O)OCC(F)(F)C(F)(F)F)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D19 compound treatment 0.357 0.007 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1776891 ChemDiv1_000085 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2nc3ccc(NC(=O)c4ccc(cc4)[N+](=O)[O-])cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D20 compound treatment 0.353 0.003 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1295086 ChemDiv1_000086 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D21 compound treatment 0.355 0.005 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970302 ChemDiv1_000087 Sc1nnc(o1)c2cccc(NC(=S)NCC=C)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D22 compound treatment 0.35 0.0 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1970303 ChemDiv1_000088 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cccc(C)c3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 D24 positive control 0.087 -0.263 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E01 compound treatment 0.399 0.049 1.0 0.379 0.029 1.0 -1.0 -1.0 323041 ChemDiv1_000089 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c3cccs3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E02 compound treatment 0.386 0.036 1.0 0.373 0.023 1.0 -1.0 -1.0 1266873 ChemDiv1_000090 O=C1NCCc2c1[nH]c3ccc(OCc4ccccc4)cc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E03 compound treatment 0.368 0.018 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1332711 ChemDiv1_000091 CCCS(=O)(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E04 compound treatment 0.371 0.021 1.0 0.367 0.017 1.0 -1.0 -1.0 1970304 ChemDiv1_000092 O=C1c2ccccc2C(=O)c3c(Nc4ccc(Oc5ccccc5)cc4)ccc(NC6CCCCC6)c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E05 compound treatment 0.587 0.237 1.0 0.57 0.22 1.0 -1.0 -1.0 1970305 ChemDiv1_000093 COc1ccccc1/C=C\2/SC(=S)N(CN3CCCCC3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E06 compound treatment 0.382 0.032 1.0 0.366 0.016 1.0 -1.0 -1.0 1970306 ChemDiv1_000094 Nc1c(Sc2ccccc2)c(Sc3ccccc3)c(N)c4C(=O)c5ccccc5C(=O)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E07 compound treatment 0.377 0.027 1.0 0.354 0.004 1.0 -1.0 -1.0 1641208 ChemDiv1_000095 Clc1ccc2nc(CSc3nc4ccccc4o3)cn2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E08 compound treatment 0.378 0.028 1.0 0.352 0.002 1.0 -1.0 -1.0 1383882 ChemDiv1_000096 Oc1nc2c(O)ncnc2[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E09 compound treatment 0.381 0.031 1.0 0.356 0.006 1.0 -1.0 -1.0 1521625 ChemDiv1_000097 C(Nc1ncnc2n(cnc12)C3CCCCO3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E10 compound treatment 0.401 0.051 1.0 0.372 0.022 1.0 -1.0 -1.0 1713214 ChemDiv1_000098 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E11 compound treatment 0.392 0.042 1.0 0.37 0.02 1.0 -1.0 -1.0 1941112 ChemDiv1_000099 OCCN1CCN(CC1)C(=O)CSc2nnc(CCCN3C(=O)c4cccc5cccc(C3=O)c45)n2c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E12 compound treatment 0.404 0.054 1.0 0.35 0.0 -1.0 -1.0 -1.0 1970307 ChemDiv1_000100 COc1cccc(c1)N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cc(OC)cc(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E13 compound treatment 0.362 0.012 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1390452 ChemDiv1_000101 CC(=O)Nc1ccc(OC(=O)CC2SC(=O)NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E14 compound treatment 0.353 0.003 1.0 0.327 -0.023 -1.0 -1.0 -1.0 1270150 ChemDiv1_000102 Clc1ccc(cc1)c2nnc(NCCN3CCCC3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E15 compound treatment 0.358 0.008 1.0 0.33 -0.02 -1.0 -1.0 -1.0 1448378 ChemDiv1_000103 O=C(NCCc1c[nH]c2ccccc12)c3ccc(Cn4nnc5ccccc5c4=O)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E16 compound treatment 0.374 0.024 1.0 0.353 0.003 1.0 -1.0 -1.0 1222135 ChemDiv1_000104 CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E17 compound treatment 0.38 0.03 1.0 0.357 0.007 1.0 -1.0 -1.0 1970308 ChemDiv1_000105 CCOC(=O)c1[nH]c2c(cc(C)cc2c1CCN3C(=O)c4ccccc4C3=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E18 compound treatment 0.373 0.023 1.0 0.36 0.01 1.0 -1.0 -1.0 1396016 ChemDiv1_000106 CCCOc1ccc2nc(NC(=O)OC)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E19 compound treatment 0.37 0.02 1.0 0.351 0.001 1.0 -1.0 -1.0 1618370 ChemDiv1_000107 Cc1cc(=O)n2nc(N)nc2[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E20 compound treatment 0.376 0.026 1.0 0.356 0.006 1.0 -1.0 -1.0 1936053 ChemDiv1_000108 OC(=O)Cn1c(SCCOc2ccc(Cl)cc2)nc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E21 compound treatment 0.37 0.02 1.0 0.353 0.003 1.0 -1.0 -1.0 1970309 ChemDiv1_000109 CC1(C)CC(=O)C2=C(C1)OC3=C(C(=O)CC(C)(C)C3)C2(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E22 compound treatment 0.355 0.005 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1970310 ChemDiv1_000110 CCCCOc1ccc(OCCCC)c2n(C)c(=O)c(nc12)c3ccccc3NC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 E24 positive control 0.089 -0.261 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F01 compound treatment 0.424 0.074 1.0 0.312 -0.038 -1.0 -1.0 -1.0 1547855 ChemDiv1_000111 Clc1ccccc1C(=O)N2N=C(CC2c3nc4ccccc4[nH]3)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F02 compound treatment 0.397 0.047 1.0 0.394 0.044 1.0 -1.0 -1.0 1159696 ChemDiv1_000112 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F03 compound treatment 0.418 0.068 1.0 0.392 0.042 1.0 -1.0 -1.0 1970311 ChemDiv1_000113 Nc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c(c1C#N)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F04 compound treatment 0.412 0.062 1.0 0.361 0.011 1.0 -1.0 -1.0 1970312 ChemDiv1_000114 Nc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c(c1C#N)c3ccc(O)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F05 compound treatment 0.381 0.031 1.0 0.353 0.003 1.0 -1.0 -1.0 1970313 ChemDiv1_000115 NNc1nc(Nc2cccc(Br)c2)nc(n1)N3CCOCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F06 compound treatment 0.381 0.031 1.0 0.368 0.018 1.0 -1.0 -1.0 1932663 ChemDiv1_000116 [O-][N+](=O)c1ccc(C(=O)Nc2ccc(Cl)c3C(=O)c4ccccc4C(=O)c23)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F07 compound treatment 0.394 0.044 1.0 0.369 0.019 1.0 -1.0 -1.0 1131892 ChemDiv1_000117 Cc1nc2ccc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F08 compound treatment 0.403 0.053 1.0 0.359 0.009 1.0 -1.0 -1.0 1970314 ChemDiv1_000118 Clc1ccccc1/N=C\2/NC(=O)/C(=C/c3ccc4OCOc4c3)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F09 compound treatment 0.379 0.029 1.0 0.323 -0.027 -1.0 -1.0 -1.0 1732783 ChemDiv1_000119 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OC4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F10 compound treatment 0.387 0.037 1.0 0.35 0.0 -1.0 -1.0 -1.0 1970315 ChemDiv1_000120 CN(C)c1ccc(/C=C/C=C/2\S\C(=N/c3ccccc3)\NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F11 compound treatment 0.353 0.003 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1055087 ChemDiv1_000121 Nc1[n+]([O-])cnc2n(cnc12)C3OC(CO)C(O)C3O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F12 compound treatment 0.38 0.03 1.0 0.351 0.001 1.0 -1.0 -1.0 1495811 ChemDiv1_000122 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F13 compound treatment 0.378 0.028 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1445221 ChemDiv1_000123 O=C(CCN1C(=O)C2(OCCO2)c3ccccc13)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F14 compound treatment 0.373 0.023 1.0 0.356 0.006 1.0 -1.0 -1.0 1689585 ChemDiv1_000124 Brc1ccc2nc(nc(c3ccccc3)c2c1)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F15 compound treatment 0.455 0.105 1.0 0.429 0.079 1.0 -1.0 -1.0 1970316 ChemDiv1_000125 Oc1c(Br)cc(Br)cc1/C=C/2\NC(=S)NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F16 compound treatment 0.354 0.004 1.0 0.331 -0.019 -1.0 -1.0 -1.0 1970317 ChemDiv1_000126 CC(=O)C1=C(OC(=C(C#N)C1c2ccccc2F)N)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F17 compound treatment 0.696 0.346 1.0 0.67 0.32 1.0 -1.0 -1.0 1970318 ChemDiv1_000127 COc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F18 compound treatment 0.369 0.019 1.0 0.353 0.003 1.0 -1.0 -1.0 1269110 ChemDiv1_000128 CCOC(=O)c1sc(NC(=O)c2cc3ccccc3oc2=O)c(C(=O)OCC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F19 compound treatment 0.349 -0.001 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1287400 ChemDiv1_000129 COC(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(NC(=O)c4ccc(cc4)C(=O)OC)cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F20 compound treatment 0.373 0.023 1.0 0.352 0.002 1.0 -1.0 -1.0 1617913 ChemDiv1_000130 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F21 compound treatment 0.365 0.015 1.0 0.351 0.001 1.0 -1.0 -1.0 1970319 ChemDiv1_000131 Cc1ccc2[nH]c3c(cc(Nc4ccccc4)c5c(=O)c6ccccc6c(=O)c35)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F22 compound treatment 0.358 0.008 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970320 ChemDiv1_000132 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(C)cc3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 F24 positive control 0.087 -0.263 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G01 compound treatment 0.4 0.05 1.0 0.377 0.027 1.0 -1.0 -1.0 1915668 ChemDiv1_000133 COCCOC(=O)Nc1nc2ccc(OC)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G02 compound treatment 0.382 0.032 1.0 0.357 0.007 1.0 -1.0 -1.0 1494857 ChemDiv1_000134 CC(=O)Nc1nc2CC(C)(C)CNC(=O)c2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G03 compound treatment 0.383 0.033 1.0 0.361 0.011 1.0 -1.0 -1.0 1575360 ChemDiv1_000135 c1c(nc2nc3[nH]c4ccccc4c3nn12)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G04 compound treatment 0.368 0.018 1.0 0.355 0.005 1.0 -1.0 -1.0 1970321 ChemDiv1_000136 O=C(Oc1cc2sc3ccccc3[nH]c2c4c(=O)c5ccccc5c(=O)c14)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G05 compound treatment 0.382 0.032 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1970322 ChemDiv1_000137 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)c3cn4ccccc4n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G06 compound treatment 0.39 0.04 1.0 0.37 0.02 1.0 -1.0 -1.0 1970323 ChemDiv1_000138 Cc1ccc(Sc2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2Sc5ccc(C)cc5)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G07 compound treatment 0.365 0.015 1.0 0.352 0.002 1.0 -1.0 -1.0 1970324 ChemDiv1_000139 Cc1cc(=O)n2ncnc2n1COCCO 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G08 compound treatment 0.379 0.029 1.0 0.36 0.01 1.0 -1.0 -1.0 1970325 ChemDiv1_000140 OCCNC(=S)Nc1ccc(cc1)c2nnc(S)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G09 compound treatment 0.355 0.005 1.0 0.356 0.006 1.0 -1.0 -1.0 1174522 ChemDiv1_000141 CCOC(=O)c1c(C)n(c2ccc(cc2)N(CC)CC)c3c1cc(O)c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G10 compound treatment 0.364 0.014 1.0 0.355 0.005 1.0 -1.0 -1.0 1613564 ChemDiv1_000142 Cc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G11 compound treatment 0.377 0.027 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1970326 ChemDiv1_000143 CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)NC3(Oc4ccc(Cl)cc4O3)C(F)(F)F)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G12 compound treatment 0.386 0.036 1.0 0.359 0.009 1.0 -1.0 -1.0 1970327 ChemDiv1_000144 COc1cccc(c1)N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G13 compound treatment 0.364 0.014 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1775689 ChemDiv1_000145 Cc1cc(=O)n2nc(nc2[nH]1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G14 compound treatment 0.35 0.0 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1523976 ChemDiv1_000146 COc1ccc2nc(nc(NCCN3CCCC3)c2c1)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G15 compound treatment 0.35 0.0 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1177595 ChemDiv1_000147 Clc1ccccc1CN2S(=O)(=O)c3ccccc3S2(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G16 compound treatment 0.361 0.011 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1527208 ChemDiv1_000148 Nc1nc2nonc2nc1N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G17 compound treatment 0.369 0.019 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1444420 ChemDiv1_000149 Brc1ccc2[nH]c3C(=O)NCCc3c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G18 compound treatment 0.362 0.012 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970328 ChemDiv1_000150 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G19 compound treatment 0.409 0.059 1.0 0.4 0.05 1.0 -1.0 -1.0 1010840 ChemDiv1_000151 Nc1nc(N)c(N)c(O)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G20 compound treatment 0.367 0.017 1.0 0.35 0.0 -1.0 -1.0 -1.0 1460475 ChemDiv1_000152 Oc1c(C(=O)Nc2nc3ccc(Br)cc3s2)c(=O)[nH]c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G21 compound treatment 0.357 0.007 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1028548 ChemDiv1_000153 CCOC(=O)Nc1nc2ccccc2[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G22 compound treatment 0.355 0.005 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1666007 ChemDiv1_000154 CCOC(=O)Cn1c(=O)c(nc2ccccc12)c3cc(Br)ccc3N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 G24 positive control 0.09 -0.26 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H01 compound treatment 0.412 0.062 1.0 0.384 0.034 1.0 -1.0 -1.0 1706543 ChemDiv1_000155 CC(=O)N1N=C(CC1c2nc3ccccc3[nH]2)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H02 compound treatment 0.397 0.047 1.0 0.39 0.04 1.0 -1.0 -1.0 1435586 ChemDiv1_000156 CCc1cc2c(ncnc2s1)N3CCN(Cc4nc5ccccc5[nH]4)CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H03 compound treatment 0.38 0.03 1.0 0.353 0.003 1.0 -1.0 -1.0 1970329 ChemDiv1_000157 Nc1nc(SCC(=O)OCc2ccccc2)c(C#N)c(c1C#N)c3ccc(O)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H04 compound treatment 0.379 0.029 1.0 0.365 0.015 1.0 -1.0 -1.0 1627400 ChemDiv1_000158 NC(=O)c1sc2nc(N)c(C#N)c(c3ccc(Br)cc3)c2c1N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H05 compound treatment 0.375 0.025 1.0 0.361 0.011 1.0 -1.0 -1.0 1970330 ChemDiv1_000159 Oc1nc(Nc2cccc(Br)c2)nc(n1)N3CCOCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H06 compound treatment 0.411 0.061 1.0 0.373 0.023 1.0 -1.0 -1.0 1776110 ChemDiv1_000160 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2cccc(NC(=O)c3cccc(c3)S(=O)(=O)N4CCCCC4)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H07 compound treatment 0.396 0.046 1.0 0.375 0.025 1.0 -1.0 -1.0 1970331 ChemDiv1_000161 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H08 compound treatment 0.38 0.03 1.0 0.356 0.006 1.0 -1.0 -1.0 1970332 ChemDiv1_000162 Brc1ccccc1/C=C\2/S/C(=N\c3ccccc3)/NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H09 compound treatment 0.362 0.012 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970333 ChemDiv1_000163 Cc1ccccc1OCCSc2nc3ccccc3n2CC(O)CO 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H10 compound treatment 0.396 0.046 1.0 0.374 0.024 1.0 -1.0 -1.0 1970334 ChemDiv1_000164 COc1ccc(/C=C/2\SC(=O)N(CNc3cccc(c3)C(F)(F)F)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H11 compound treatment 0.377 0.027 1.0 0.352 0.002 1.0 -1.0 -1.0 1056441 ChemDiv1_000165 OCC1OC(C(O)C1O)n2cnc3c(NCC=C)ncnc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H12 compound treatment 0.378 0.028 1.0 0.361 0.011 1.0 -1.0 -1.0 1970335 ChemDiv1_000166 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H13 compound treatment 0.382 0.032 1.0 0.362 0.012 1.0 -1.0 -1.0 1534988 ChemDiv1_000167 CC(C)(C)C(=O)CCN1C(=O)C2(OCCO2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H14 compound treatment 0.377 0.027 1.0 0.36 0.01 1.0 -1.0 -1.0 1718802 ChemDiv1_000168 NS(=O)(=O)c1ccc(Nc2nc(c3ccccc3)c4cc(Cl)ccc4n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H15 compound treatment 0.368 0.018 1.0 0.356 0.006 1.0 -1.0 -1.0 1495068 ChemDiv1_000169 O=c1[nH]nc(Cc2ccncc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H16 compound treatment 0.373 0.023 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970336 ChemDiv1_000170 COc1ccc(cc1)c2c(C#N)c(SCC(=O)OC(C)C)nc(C)c2C(=O)Nc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H17 compound treatment 0.37 0.02 1.0 0.363 0.013 1.0 -1.0 -1.0 1970337 ChemDiv1_000171 OC(=O)CN1C(=O)/C(=C\c2ccc(cc2)C(F)(F)F)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H18 compound treatment 0.367 0.017 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1140612 ChemDiv1_000172 CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)scc1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H19 compound treatment 0.364 0.014 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1131618 ChemDiv1_000173 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(O)cc4O)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H20 compound treatment 0.364 0.014 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1190243 ChemDiv1_000174 Clc1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H21 compound treatment 0.361 0.011 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1924038 ChemDiv1_000175 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H22 compound treatment 0.356 0.006 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970338 ChemDiv1_000176 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cccc(Cl)c3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 H24 positive control 0.095 -0.255 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I01 compound treatment 0.409 0.059 1.0 0.411 0.061 1.0 -1.0 -1.0 1610442 ChemDiv1_000177 COC(=O)Nc1nc2cc3OCCOc3cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I02 compound treatment 0.376 0.026 1.0 0.356 0.006 1.0 -1.0 -1.0 1126858 ChemDiv1_000178 CC(=O)Nc1nc2CCCNC(=O)c2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I03 compound treatment 0.373 0.023 1.0 0.36 0.01 1.0 -1.0 -1.0 1970339 ChemDiv1_000179 COc1ccc2n(Cc3ccccc3)c4nc5cc6ccccc6cc5nc4c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I04 compound treatment 0.362 0.012 1.0 0.354 0.004 1.0 -1.0 -1.0 1970340 ChemDiv1_000180 Cc1ccc(Nc2cc3sc4ccccc4[nH]c3c5c(=O)c6ccccc6c(=O)c25)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I05 compound treatment 0.39 0.04 1.0 0.352 0.002 1.0 -1.0 -1.0 1970341 ChemDiv1_000181 CCN(CC)c1ccc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c(=N)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I06 compound treatment 0.402 0.052 1.0 0.394 0.044 1.0 -1.0 -1.0 1970342 ChemDiv1_000182 COc1ccccc1N2C(=O)N(C(=O)C(=Cc3ccco3)C2=O)c4ccccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I07 compound treatment 0.384 0.034 1.0 0.354 0.004 1.0 -1.0 -1.0 1513148 ChemDiv1_000183 CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4)c(O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I08 compound treatment 0.383 0.033 1.0 0.364 0.014 1.0 -1.0 -1.0 1970343 ChemDiv1_000184 NNC(=S)Nc1ccc(cc1)c2nnc(S)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I09 compound treatment 0.367 0.017 1.0 0.357 0.007 1.0 -1.0 -1.0 1509019 ChemDiv1_000185 CC1(C)CC(CCO1)n2c(SCC=C)nc3-c4ccccc4CC5(CCCCC5)c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I10 compound treatment 0.396 0.046 1.0 0.374 0.024 1.0 -1.0 -1.0 1690235 ChemDiv1_000186 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I11 compound treatment 0.392 0.042 1.0 0.376 0.026 1.0 -1.0 -1.0 1970344 ChemDiv1_000187 COc1nc(nc(n1)N2CC(=O)N(C2=N)c3ccccc3)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I12 compound treatment 0.394 0.044 1.0 0.37 0.02 1.0 -1.0 -1.0 1970345 ChemDiv1_000188 COc1ccc(cc1)N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I13 compound treatment 0.388 0.038 1.0 0.364 0.014 1.0 -1.0 -1.0 1512253 ChemDiv1_000189 COc1ccc(cc1)n2c(C)nc3ncnc(c4ccccc4)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I14 compound treatment 0.386 0.036 1.0 0.368 0.018 1.0 -1.0 -1.0 1185085 ChemDiv1_000190 CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I15 compound treatment 0.399 0.049 1.0 0.361 0.011 1.0 -1.0 -1.0 1135643 ChemDiv1_000191 CC1CCN(CC1)S(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC4CCCO4)Cc5ccco5)c(=O)c3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I16 compound treatment 0.355 0.005 1.0 0.329 -0.021 -1.0 -1.0 -1.0 1970346 ChemDiv1_000192 [O-][N+](=O)c1cccc(NC(=O)c2cc(ccc2Cl)S(=O)(=O)Nc3ccc(Br)cc3)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I17 compound treatment 0.375 0.025 1.0 0.354 0.004 1.0 -1.0 -1.0 1970347 ChemDiv1_000193 CCOC(=O)c1[nH]c2ccc(cc2c1CCN3C(=O)c4ccccc4C3=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I18 compound treatment 0.373 0.023 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1365360 ChemDiv1_000194 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I19 compound treatment 0.359 0.009 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1628850 ChemDiv1_000195 COc1ccc2[nH]c3C(C)NCCc3c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I20 compound treatment 0.383 0.033 1.0 0.366 0.016 1.0 -1.0 -1.0 1970348 ChemDiv1_000196 C(N1CCN(CC1)c2ncnc3n(ncc23)c4ccccc4)c5nc6ccccc6[nH]5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I21 compound treatment 0.358 0.008 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1214449 ChemDiv1_000197 OC(=O)C1CCCN1S(=O)(=O)c2cccc3nsnc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I22 compound treatment 0.361 0.011 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1685098 ChemDiv1_000198 CCOC(=O)Cn1c(=O)c(nc2cc3ccccc3cc12)c4ccccc4NCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 I24 positive control 0.093 -0.257 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J01 compound treatment 0.441 0.091 1.0 0.409 0.059 1.0 -1.0 -1.0 1919438 ChemDiv1_000199 NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J02 compound treatment 0.381 0.031 1.0 0.379 0.029 1.0 -1.0 -1.0 1648578 ChemDiv1_000200 C(N1CCN(CC1)c2ncnc3sc4CCCCc4c23)c5nc6ccccc6[nH]5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J03 compound treatment 0.381 0.031 1.0 0.371 0.021 1.0 -1.0 -1.0 1498219 ChemDiv1_000201 CC(=O)Oc1ccc2cc(c3nnc(o3)c4ccccc4)c(=O)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J04 compound treatment 0.377 0.027 1.0 0.355 0.005 1.0 -1.0 -1.0 1970349 ChemDiv1_000202 Brc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)C(=O)N2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J05 compound treatment 0.386 0.036 1.0 0.377 0.027 1.0 -1.0 -1.0 1970350 ChemDiv1_000203 NNc1nc(Nc2cccc(c2)[N+](=O)[O-])nc(n1)N3CCCCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J06 compound treatment 0.381 0.031 1.0 0.352 0.002 1.0 -1.0 -1.0 1970351 ChemDiv1_000204 CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc3ccc(Br)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J07 compound treatment 0.429 0.079 1.0 0.417 0.067 1.0 -1.0 -1.0 1970352 ChemDiv1_000205 COc1ccc(cc1)C2CC(=NN2C(=O)c3ccncc3)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J08 compound treatment 0.423 0.073 1.0 0.376 0.026 1.0 -1.0 -1.0 1970353 ChemDiv1_000206 Oc1c(I)cc(I)cc1/C=C\2/NC(=S)NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J09 compound treatment 0.365 0.015 1.0 0.356 0.006 1.0 -1.0 -1.0 1970354 ChemDiv1_000207 Cc1cccc(OCCSc2nc3ccccc3n2CC(O)CO)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J10 compound treatment 0.574 0.224 1.0 0.554 0.204 1.0 -1.0 -1.0 1934539 ChemDiv1_000208 O=C/1N(CN2CCCCC2)C(=S)S\C1=C\c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J11 compound treatment 0.409 0.059 1.0 0.371 0.021 1.0 -1.0 -1.0 1970355 ChemDiv1_000209 Oc1ccc(cc1)C2CC(=NN2c3ccc(cc3)[N+](=O)[O-])c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J12 compound treatment 0.371 0.021 1.0 0.363 0.013 1.0 -1.0 -1.0 1716886 ChemDiv1_000210 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3(CC4CC5CC(C4)C3)C5)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J13 compound treatment 0.366 0.016 1.0 0.356 0.006 1.0 -1.0 -1.0 1537167 ChemDiv1_000211 Brc1ccc2N(C(=O)Nc3ccccc3)C(=O)C4(OCCO4)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J14 compound treatment 0.368 0.018 1.0 0.35 0.0 -1.0 -1.0 -1.0 1970356 ChemDiv1_000212 COc1ccc(cc1)C2=NN(C(C2)c3nc4ccccc4[nH]3)C(=O)CCl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J15 compound treatment 0.367 0.017 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970357 ChemDiv1_000213 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc(cc4)S(=O)(=O)N5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J16 compound treatment 0.383 0.033 1.0 0.366 0.016 1.0 -1.0 -1.0 1970358 ChemDiv1_000214 Brc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J17 compound treatment 0.442 0.092 1.0 0.413 0.063 1.0 -1.0 -1.0 1970359 ChemDiv1_000215 OC(=O)CN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2O)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J18 compound treatment 0.362 0.012 1.0 0.351 0.001 1.0 -1.0 -1.0 1970360 ChemDiv1_000216 Cc1cccc(Nc2ccc(NC(=O)c3ccccc3)c4C(=O)c5ccccc5C(=O)c24)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J19 compound treatment 0.366 0.016 1.0 0.36 0.01 1.0 -1.0 -1.0 1696710 ChemDiv1_000217 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccc4O)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J20 compound treatment 0.365 0.015 1.0 0.352 0.002 1.0 -1.0 -1.0 1420435 ChemDiv1_000218 O=C(Nc1ccccc1c2nc3ccccc3s2)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J21 compound treatment 0.35 0.0 -1.0 0.353 0.003 1.0 -1.0 -1.0 1380988 ChemDiv1_000219 CCOc1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J22 compound treatment 0.354 0.004 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1970361 ChemDiv1_000220 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccccc3Cl)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 J24 positive control 0.095 -0.255 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K01 compound treatment 0.376 0.026 1.0 0.368 0.018 1.0 -1.0 -1.0 1724516 ChemDiv1_000221 CC(=O)n1cc(C(SCc2ccccc2)C(NO)C(=O)OCc3ccccc3)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K02 compound treatment 0.369 0.019 1.0 0.363 0.013 1.0 -1.0 -1.0 1970362 ChemDiv1_000222 [O-][N+](=O)c1ccc(cc1)c2nc3ccccc3c4nc5ccccc5n24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K03 compound treatment 0.367 0.017 1.0 0.354 0.004 1.0 -1.0 -1.0 1970363 ChemDiv1_000223 CCCCOc1ccc(OCCCC)c2n(C)c(=O)c(nc12)c3ccccc3N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K04 compound treatment 0.366 0.016 1.0 0.387 0.037 1.0 -1.0 -1.0 1970364 ChemDiv1_000224 COc1ccc([Se]c2cc(O)c3C(=O)c4ccccc4C(=O)c3c2N)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K05 compound treatment 0.429 0.079 1.0 0.414 0.064 1.0 -1.0 -1.0 1453031 ChemDiv1_000225 CC(=O)N1N=C(CC1c2nc3ccccc3[nH]2)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K06 compound treatment 0.379 0.029 1.0 0.369 0.019 1.0 -1.0 -1.0 1154978 ChemDiv1_000226 COc1cc(cc(OC)c1OC)C(=O)Nc2ccccc2c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K07 compound treatment 0.363 0.013 1.0 0.353 0.003 1.0 -1.0 -1.0 1416422 ChemDiv1_000227 CCSc1nnc-2c(OC(Nc3ccccc32)c4cccc(OC)c4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K08 compound treatment 0.366 0.016 1.0 0.352 0.002 1.0 -1.0 -1.0 1243169 ChemDiv1_000228 O=S(=O)(N(CCC#N)CCc1ccccc1)c2cccc3nsnc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K09 compound treatment 0.355 0.005 1.0 0.359 0.009 1.0 -1.0 -1.0 1163313 ChemDiv1_000229 CCOC(=O)c1sc2nc(N3CCOCC3)c4CN(C)C(C)(C)Cc4c2c1N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K10 compound treatment 0.383 0.033 1.0 0.368 0.018 1.0 -1.0 -1.0 1970365 ChemDiv1_000230 Nc1cc(ccc1Cl)c2nnc(S)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K11 compound treatment 0.395 0.045 1.0 0.368 0.018 1.0 -1.0 -1.0 1349231 ChemDiv1_000231 CCOC(=O)c1c(C)n(C)c2c1cc(O)c3n(nc(c4ccccc4)c32)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K12 compound treatment 0.354 0.004 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1970366 ChemDiv1_000232 [O-][N+](=O)c1cccc(c1)C2Oc3ccccc3C4CC(=NN42)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K13 compound treatment 0.387 0.037 1.0 0.361 0.011 1.0 -1.0 -1.0 1970367 ChemDiv1_000233 CCOC(=O)CSc1nc2sc(C(=O)N3CCCC3)c(C)c2c(=O)n1CCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K14 compound treatment 0.413 0.063 1.0 0.4 0.05 1.0 -1.0 -1.0 1101519 ChemDiv1_000234 Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K15 compound treatment 0.378 0.028 1.0 0.374 0.024 1.0 -1.0 -1.0 1970368 ChemDiv1_000235 COc1cccc(CSc2ccc(cc2C(=O)N3CCC4(CC3)OCCO4)S(=O)(=O)N5CCOCC5)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K16 compound treatment 0.376 0.026 1.0 0.357 0.007 1.0 -1.0 -1.0 1970369 ChemDiv1_000236 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K17 compound treatment 0.358 0.008 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1372756 ChemDiv1_000237 O=S(=O)(NCCc1ccccc1)c2cccc3nsnc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K18 compound treatment 0.395 0.045 1.0 0.375 0.025 1.0 -1.0 -1.0 1970370 ChemDiv1_000238 CC(=O)N1N=C(CC1c2ccc(cc2)[N+](=O)[O-])c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K19 compound treatment 0.362 0.012 1.0 0.354 0.004 1.0 -1.0 -1.0 1347766 ChemDiv1_000239 CCc1c(C)nc(nc1Nc2ccccc2)n3nc(C)cc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K20 compound treatment 0.382 0.032 1.0 0.35 0.0 -1.0 -1.0 -1.0 1776743 ChemDiv1_000240 C(/C=C/c1ccccc1)N2CCN(CC2)c3ncnc4n(ncc34)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K21 compound treatment 0.352 0.002 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1970371 ChemDiv1_000241 CN(C)CC(C)(C)CN(CCC#N)S(=O)(=O)c1cccc2nsnc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K22 compound treatment 0.354 0.004 1.0 0.35 0.0 -1.0 -1.0 -1.0 1970372 ChemDiv1_000242 CCOC(=O)Cn1c(=O)c(nc2cc3ccccc3cc12)c4cc(ccc4NC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 K24 positive control 0.097 -0.253 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L01 compound treatment 0.394 0.044 1.0 0.388 0.038 1.0 -1.0 -1.0 1970373 ChemDiv1_000243 COc1ccc(cc1)c2c(C#N)c(SCC=C)nc(C)c2C(=O)Nc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L02 compound treatment 0.346 -0.004 -1.0 0.352 0.002 1.0 -1.0 -1.0 1316975 ChemDiv1_000244 Cc1cc(C)nc(n1)N2CCN(CC2)c3ncnc4n(ncc34)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L03 compound treatment 0.36 0.01 1.0 0.362 0.012 1.0 -1.0 -1.0 1970374 ChemDiv1_000245 CCN(CC)c1ccc2cc(c3csc(n3)c4nc(cs4)c5cc6ccc(cc6oc5=O)N(CC)CC)c(=O)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L04 compound treatment 0.361 0.011 1.0 0.357 0.007 1.0 -1.0 -1.0 1142548 ChemDiv1_000246 COc1ccc(cc1)c2cc(nc(SCC(=O)N)c2C#N)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L05 compound treatment 0.352 0.002 1.0 0.35 0.0 -1.0 -1.0 -1.0 1229041 ChemDiv1_000247 Clc1nc(NCc2ccccc2)nc(NCc3ccccc3)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L06 compound treatment 0.373 0.023 1.0 0.361 0.011 1.0 -1.0 -1.0 1970375 ChemDiv1_000248 CNc1ccc(Br)cc1c2nc3cc4ccccc4cc3n(C)c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L07 compound treatment 0.408 0.058 1.0 0.405 0.055 1.0 -1.0 -1.0 1419641 ChemDiv1_000249 CC(=O)N1N=C(CC1c2nc3ccccc3n2C(=O)C)c4c(c5ccccc5)c6cc(Cl)ccc6[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L08 compound treatment 0.429 0.079 1.0 0.413 0.063 1.0 -1.0 -1.0 1970376 ChemDiv1_000250 COc1ccc(Br)cc1/C=C\2/S/C(=N/c3ccccc3)/NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L09 compound treatment 0.402 0.052 1.0 0.411 0.061 1.0 -1.0 -1.0 1970377 ChemDiv1_000251 CCOC(=O)c1cccc(n1)C(=O)NC2=NN(C(=O)C2)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L10 compound treatment 0.433 0.083 1.0 0.396 0.046 1.0 -1.0 -1.0 1205642 ChemDiv1_000252 CC(=O)Nc1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L11 compound treatment 0.367 0.017 1.0 0.35 0.0 -1.0 -1.0 -1.0 1935898 ChemDiv1_000253 Oc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L12 compound treatment 0.367 0.017 1.0 0.358 0.008 1.0 -1.0 -1.0 1441373 ChemDiv1_000254 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L13 compound treatment 0.372 0.022 1.0 0.364 0.014 1.0 -1.0 -1.0 1122313 ChemDiv1_000255 CC(C)(C)C(=O)CN1C(=O)C2(OCCO2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L14 compound treatment 0.367 0.017 1.0 0.358 0.008 1.0 -1.0 -1.0 1607189 ChemDiv1_000256 C1CCN(CC1)c2nc(nc(n2)N3CCCCC3)N4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L15 compound treatment 0.37 0.02 1.0 0.358 0.008 1.0 -1.0 -1.0 1970378 ChemDiv1_000257 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L16 compound treatment 0.41 0.06 1.0 0.373 0.023 1.0 -1.0 -1.0 1931863 ChemDiv1_000258 Brc1ccc(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c3cccc4ccccc34)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L17 compound treatment 0.749 0.399 1.0 0.71 0.36 1.0 -1.0 -1.0 1970379 ChemDiv1_000259 COc1ccc(OC)c(/C=C\2/SC(=S)N(CC(=O)O)C2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L18 compound treatment 0.365 0.015 1.0 0.357 0.007 1.0 -1.0 -1.0 1689596 ChemDiv1_000260 Nc1nc(F)cc(n1)N2CCOCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L19 compound treatment 0.369 0.019 1.0 0.357 0.007 1.0 -1.0 -1.0 1970380 ChemDiv1_000261 Cc1cc(C)c(C#N)c(SCCSc2nc(C)cc(C)c2C#N)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L20 compound treatment 0.395 0.045 1.0 0.371 0.021 1.0 -1.0 -1.0 1970381 ChemDiv1_000262 COc1cc(OC)cc(c1)C(=O)N2N=C(CC2c3ccco3)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L21 compound treatment 0.356 0.006 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1944846 ChemDiv1_000263 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L22 compound treatment 0.364 0.014 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970382 ChemDiv1_000264 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccccc3Br)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 L24 positive control 0.096 -0.254 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M01 compound treatment 0.376 0.026 1.0 0.379 0.029 1.0 -1.0 -1.0 1778181 ChemDiv1_000265 O=C1N(CC2N(CCc3ccccc23)S(=O)(=O)c4cccc5nsnc45)C(=O)c6ccccc16 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M02 compound treatment 0.345 -0.005 -1.0 0.354 0.004 1.0 -1.0 -1.0 1673360 ChemDiv1_000266 Cc1ccc(c2nsnc12)S(=O)(=O)N(CCC#N)C3CCCCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M03 compound treatment 0.346 -0.004 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1353926 ChemDiv1_000267 COc1ccc(cc1)C2=NN(C(C2)c3cc4ccc(C)cc4nc3Cl)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M04 compound treatment 0.359 0.009 1.0 0.354 0.004 1.0 -1.0 -1.0 1970383 ChemDiv1_000268 Cc1ccc(Nc2cc([Se]c3ccccc3)c(N)c4C(=O)c5ccccc5C(=O)c24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M05 compound treatment 0.431 0.081 1.0 0.502 0.152 1.0 -1.0 -1.0 1970384 ChemDiv1_000269 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M06 compound treatment 0.399 0.049 1.0 0.412 0.062 1.0 -1.0 -1.0 1322914 ChemDiv1_000270 Brc1ccccc1C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M07 compound treatment 0.528 0.178 1.0 0.431 0.081 1.0 -1.0 -1.0 1522585 ChemDiv1_000271 NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M08 compound treatment 0.371 0.021 1.0 0.36 0.01 1.0 -1.0 -1.0 1970385 ChemDiv1_000272 [O-][N+](=O)c1ccc(cc1)c2nc(c3ccccc3)c4cc(ccc4n2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M09 compound treatment 0.408 0.058 1.0 0.401 0.051 1.0 -1.0 -1.0 1372731 ChemDiv1_000273 COc1ccc(cc1COc2ccc(F)cc2)C3Nc4ccccc4NC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M10 compound treatment 0.351 0.001 1.0 0.355 0.005 1.0 -1.0 -1.0 1970386 ChemDiv1_000274 CCCCCCNc1ccc(NC(=O)c2ccc(cc2)C3CCC(CCCCC)CC3)c4C(=O)c5ccccc5C(=O)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M11 compound treatment 0.416 0.066 1.0 0.395 0.045 1.0 -1.0 -1.0 1416532 ChemDiv1_000275 COc1ccccc1n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M12 compound treatment 0.354 0.004 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1937228 ChemDiv1_000276 COc1ccc(/C=C/C(=O)Nc2ccc(NC3CCCCC3)c4C(=O)c5ccccc5C(=O)c24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M13 compound treatment 0.417 0.067 1.0 0.387 0.037 1.0 -1.0 -1.0 1655373 ChemDiv1_000277 CCOC(=O)c1ccc(Cn2c3ccccc3c4nc5ccccc5nc24)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M14 compound treatment 0.395 0.045 1.0 0.376 0.026 1.0 -1.0 -1.0 1970387 ChemDiv1_000278 OS(=O)(=O)c1ccc2C(=O)c3c(Cl)ccc4nc(nc(-c2c1)c34)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M15 compound treatment 0.37 0.02 1.0 0.356 0.006 1.0 -1.0 -1.0 1970388 ChemDiv1_000279 CCCCOc1ccc(OCCCC)c2NC3(Nc21)C(=O)Nc4ccc(cc43)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M16 compound treatment 0.359 0.009 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1970389 ChemDiv1_000280 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(Br)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M17 compound treatment 0.372 0.022 1.0 0.362 0.012 1.0 -1.0 -1.0 1628772 ChemDiv1_000281 CC(C)N(CCC#N)S(=O)(=O)c1cccc2nsnc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M18 compound treatment 0.39 0.04 1.0 0.36 0.01 1.0 -1.0 -1.0 1970390 ChemDiv1_000282 CCOc1ccc2cc(C3CC(=NN3)c4ccc(OC)cc4)c(Cl)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M19 compound treatment 0.346 -0.004 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1638049 ChemDiv1_000283 Clc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(c1)C(=O)Nc4ccc(CC#N)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M20 compound treatment 0.367 0.017 1.0 0.36 0.01 1.0 -1.0 -1.0 1970391 ChemDiv1_000284 CCn1c2ccccc2c3nc4cc5ccccc5cc4nc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M21 compound treatment 0.351 0.001 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1970392 ChemDiv1_000285 CCN(CC)CCN(CCC#N)S(=O)(=O)c1cccc2nsnc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M22 compound treatment 0.368 0.018 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1728623 ChemDiv1_000286 COc1ccc(NC(=O)C)c(c1)c2nc3cc4ccccc4cc3n(Cc5ccccc5)c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 M24 positive control 0.097 -0.253 -1.0 0.092 -0.258 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N01 compound treatment 0.387 0.037 1.0 0.381 0.031 1.0 -1.0 -1.0 1970393 ChemDiv1_000287 COc1ccc(cc1)c2c(C#N)c(SCC(=O)N)nc(C)c2C(=O)Nc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N02 compound treatment 0.342 -0.008 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1644196 ChemDiv1_000288 COc1ccc(cc1)c2cc(nc(SCC#N)c2C#N)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N03 compound treatment 0.367 0.017 1.0 0.356 0.006 1.0 -1.0 -1.0 1096122 ChemDiv1_000289 CCN(CC)c1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N04 compound treatment 0.379 0.029 1.0 0.372 0.022 1.0 -1.0 -1.0 1970394 ChemDiv1_000290 COc1ccccc1c2cc(nc(SCC(=O)N)c2C#N)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N05 compound treatment 0.368 0.018 1.0 0.357 0.007 1.0 -1.0 -1.0 1420261 ChemDiv1_000291 COc1ccc(cc1)C2=NN(C(C2)c3cn(nc3c4ccccc4)c5ccccc5)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N06 compound treatment 0.359 0.009 1.0 0.353 0.003 1.0 -1.0 -1.0 1532435 ChemDiv1_000292 CCOC(=O)Cn1c(=O)c(nc2cc3ccccc3cc12)c4cc(Br)ccc4NC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N07 compound treatment 0.427 0.077 1.0 0.403 0.053 1.0 -1.0 -1.0 1970395 ChemDiv1_000293 Fc1ccc(cc1)C(=O)N2N=C(CC2c3ccco3)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N08 compound treatment 0.338 -0.012 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1970396 ChemDiv1_000294 CCOc1ccc(/C=C\2/S/C(=N\c3ccccc3)/NC2=O)c(OCC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N09 compound treatment 0.38 0.03 1.0 0.381 0.031 1.0 -1.0 -1.0 1700171 ChemDiv1_000295 Brc1ccc(cc1)C(=O)Nc2cccc(NC(=O)c3cccc(c3)S(=O)(=O)N4CCCCC4)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N10 compound treatment 0.396 0.046 1.0 0.391 0.041 1.0 -1.0 -1.0 1488815 ChemDiv1_000296 Cc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5)sc3c2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N11 compound treatment 0.356 0.006 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970397 ChemDiv1_000297 CC(=O)Oc1ccc(cc1)C2=NN(C(C2)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N12 compound treatment 0.375 0.025 1.0 0.379 0.029 1.0 -1.0 -1.0 1606039 ChemDiv1_000298 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N13 compound treatment 0.368 0.018 1.0 0.358 0.008 1.0 -1.0 -1.0 1704825 ChemDiv1_000299 CC(=C)CN1C(=O)C2(OCCO2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N14 compound treatment 0.37 0.02 1.0 0.36 0.01 1.0 -1.0 -1.0 1046946 ChemDiv1_000300 C1CN(CCO1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N15 compound treatment 0.369 0.019 1.0 0.363 0.013 1.0 -1.0 -1.0 1135529 ChemDiv1_000301 CCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N16 compound treatment 0.406 0.056 1.0 0.392 0.042 1.0 -1.0 -1.0 1175713 ChemDiv1_000302 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N17 compound treatment 0.36 0.01 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970398 ChemDiv1_000303 Clc1ccccc1C(=O)Oc2ccc(/C=C\3/SC(=N)NC3=O)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N18 compound treatment 0.365 0.015 1.0 0.358 0.008 1.0 -1.0 -1.0 1970399 ChemDiv1_000304 CNc1cc(F)nc(NC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N19 compound treatment 0.369 0.019 1.0 0.358 0.008 1.0 -1.0 -1.0 1363603 ChemDiv1_000305 Cc1cc(C)c2c(N)c(sc2n1)C(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N20 compound treatment 0.382 0.032 1.0 0.371 0.021 1.0 -1.0 -1.0 1970400 ChemDiv1_000306 CC(=O)N1N=C(CC1c2cccc(Br)c2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N21 compound treatment 0.361 0.011 1.0 0.356 0.006 1.0 -1.0 -1.0 1970401 ChemDiv1_000307 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4cccc(Oc5ccccc5)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N22 compound treatment 0.359 0.009 1.0 0.352 0.002 1.0 -1.0 -1.0 1970402 ChemDiv1_000308 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(Br)cc3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 N24 positive control 0.093 -0.257 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O01 compound treatment 0.367 0.017 1.0 0.377 0.027 1.0 -1.0 -1.0 1133292 ChemDiv1_000309 Clc1ccc(cc1)c2nnc(NCCN3CCOCC3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O02 compound treatment 0.367 0.017 1.0 0.37 0.02 1.0 -1.0 -1.0 1549935 ChemDiv1_000310 O=C1NS(=O)(=O)c2cc3c(cc12)C(=O)NS3(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O03 compound treatment 0.351 0.001 1.0 0.35 0.0 -1.0 -1.0 -1.0 1288047 ChemDiv1_000311 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O04 compound treatment 0.343 -0.007 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970403 ChemDiv1_000312 Nc1c([Se]c2ccccc2)cc([Se]c3ccccc3)c4C(=O)c5ccccc5C(=O)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O05 compound treatment 0.371 0.021 1.0 0.377 0.027 1.0 -1.0 -1.0 1531388 ChemDiv1_000313 CSc1nnc-2c(OC(Nc3ccccc32)c4ccc(C)o4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O06 compound treatment 0.348 -0.002 -1.0 0.36 0.01 1.0 -1.0 -1.0 1593690 ChemDiv1_000314 OC(=O)CNS(=O)(=O)c1cccc2nsnc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O07 compound treatment 0.371 0.021 1.0 0.366 0.016 1.0 -1.0 -1.0 1939719 ChemDiv1_000315 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3cc4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O08 compound treatment 0.348 -0.002 -1.0 0.351 0.001 1.0 -1.0 -1.0 1392282 ChemDiv1_000316 O=S(=O)(NC1CCCCC1)c2cccc3nsnc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O09 compound treatment 0.373 0.023 1.0 0.381 0.031 1.0 -1.0 -1.0 1203284 ChemDiv1_000317 Cc1cc(C)nc(n1)n2c(Nc3ccccc3)cc(=O)c4c(C)n(c5ccccc5)c(=O)nc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O10 compound treatment 0.386 0.036 1.0 0.447 0.097 1.0 -1.0 -1.0 1970404 ChemDiv1_000318 Oc1cccc2ccc(nc12)N3CCOCCOCCN(CCOCCOCC3)c4ccc5cccc(O)c5n4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O11 compound treatment 0.359 0.009 1.0 0.359 0.009 1.0 -1.0 -1.0 1255802 ChemDiv1_000319 Cc1c(C)c2ccccc2n1CC(O)CN3C(=O)c4ccccc4S3(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O12 compound treatment 0.512 0.162 1.0 0.51 0.16 1.0 -1.0 -1.0 1970405 ChemDiv1_000320 CC(=O)Nc1nc([N+](=O)[O-])c(SCC(=O)O)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O13 compound treatment 0.393 0.043 1.0 0.395 0.045 1.0 -1.0 -1.0 1692246 ChemDiv1_000321 Fc1ccc(NCc2ccccn2)c(c1)c3nc4ccccc4[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O14 compound treatment 0.371 0.021 1.0 0.359 0.009 1.0 -1.0 -1.0 1970406 ChemDiv1_000322 CCCCc1ccc(cc1)N(C(=O)C)c2cc3c4cc(CCCC)ccc4[nH]c3c5C(=O)c6ccccc6C(=O)c25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O15 compound treatment 0.399 0.049 1.0 0.371 0.021 1.0 -1.0 -1.0 1970407 ChemDiv1_000323 CCCCc1ccc(cc1)C(=O)Nc2ccc(Cl)c3C(=O)c4ccccc4C(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O16 compound treatment 0.373 0.023 1.0 0.369 0.019 1.0 -1.0 -1.0 1970408 ChemDiv1_000324 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(c3)[N+](=O)[O-])/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O17 compound treatment 0.373 0.023 1.0 0.367 0.017 1.0 -1.0 -1.0 1482006 ChemDiv1_000325 CN(CCC#N)S(=O)(=O)c1cccc2nsnc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O18 compound treatment 0.363 0.013 1.0 0.358 0.008 1.0 -1.0 -1.0 1738274 ChemDiv1_000326 CCN(CC)S(=O)(=O)c1ccc(Br)c2nsnc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O19 compound treatment 0.371 0.021 1.0 0.361 0.011 1.0 -1.0 -1.0 1970409 ChemDiv1_000327 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O20 compound treatment 0.368 0.018 1.0 0.36 0.01 1.0 -1.0 -1.0 1046094 ChemDiv1_000328 CC(=O)n1c2ccccc2c3nc4ccccc4nc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O21 compound treatment 0.371 0.021 1.0 0.362 0.012 1.0 -1.0 -1.0 1446152 ChemDiv1_000329 O=S(=O)(N(CCOc1cccc2ccccc12)C3CCCCC3)c4cccc5nsnc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O22 compound treatment 0.452 0.102 1.0 0.438 0.088 1.0 -1.0 -1.0 1970410 ChemDiv1_000330 O=C1NC(=O)/C(=C\c2c[nH]c3ccccc23)/N1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 O24 positive control 0.105 -0.245 -1.0 0.095 -0.255 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P01 compound treatment 0.354 0.004 1.0 0.356 0.006 1.0 -1.0 -1.0 1466000 ChemDiv1_000331 Cc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(C)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P02 compound treatment 0.367 0.017 1.0 0.377 0.027 1.0 -1.0 -1.0 1970411 ChemDiv1_000332 NC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(Br)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P03 compound treatment 0.354 0.004 1.0 0.357 0.007 1.0 -1.0 -1.0 1970412 ChemDiv1_000333 COc1ccccc1OCCSc2nc3ccccc3n2CCO 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P04 compound treatment 0.368 0.018 1.0 0.378 0.028 1.0 -1.0 -1.0 1551447 ChemDiv1_000334 CCCOC(=O)CSc1nc2CCCCc2c(c1C#N)c3ccc(O)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P05 compound treatment 0.372 0.022 1.0 0.387 0.037 1.0 -1.0 -1.0 1668571 ChemDiv1_000335 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3c(F)cc(F)cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P06 compound treatment 0.458 0.108 1.0 0.431 0.081 1.0 -1.0 -1.0 1715637 ChemDiv1_000336 Fc1ccc(CNc2ccccc2c3nc4cc5ccccc5cc4[nH]c3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P07 compound treatment 0.399 0.049 1.0 0.407 0.057 1.0 -1.0 -1.0 1368444 ChemDiv1_000337 CN(C)C(=O)CSc1nc2ccc(Cl)cc2o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P08 compound treatment 0.406 0.056 1.0 0.4 0.05 1.0 -1.0 -1.0 1970413 ChemDiv1_000338 COc1c(/C=C\2/S/C(=N\c3ccccc3)/NC2=O)cccc1[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P09 compound treatment 0.519 0.169 1.0 0.433 0.083 1.0 -1.0 -1.0 1262173 ChemDiv1_000339 Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P10 compound treatment 0.411 0.061 1.0 0.398 0.048 1.0 -1.0 -1.0 1186010 ChemDiv1_000340 Cc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCC5)sc3c2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P11 compound treatment 0.4 0.05 1.0 0.396 0.046 1.0 -1.0 -1.0 1913542 ChemDiv1_000341 CC(=O)CC1(O)C(=O)N(CN2CCOCC2)c3ccccc31 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P12 compound treatment 0.426 0.076 1.0 0.402 0.052 1.0 -1.0 -1.0 1970414 ChemDiv1_000342 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc3C(=O)c4ccccc4C(=O)c3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P13 compound treatment 0.388 0.038 1.0 0.375 0.025 1.0 -1.0 -1.0 1970415 ChemDiv1_000343 CCOc1ccc(Nc2nc(C)c([N+](=O)[O-])c(n2)N(C)c3ccccc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P14 compound treatment 0.415 0.065 1.0 0.402 0.052 1.0 -1.0 -1.0 1970416 ChemDiv1_000344 CC(=O)n1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P15 compound treatment 0.706 0.356 1.0 0.69 0.34 1.0 -1.0 -1.0 1923660 ChemDiv1_000345 OC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P16 compound treatment 0.483 0.133 1.0 0.428 0.078 1.0 -1.0 -1.0 1271949 ChemDiv1_000346 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P17 compound treatment 0.476 0.126 1.0 0.462 0.112 1.0 -1.0 -1.0 1970417 ChemDiv1_000347 COc1cc(/C=C\2/SC(=N)NC2=O)ccc1OC(=O)c3ccccc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P18 compound treatment 0.38 0.03 1.0 0.364 0.014 1.0 -1.0 -1.0 1179118 ChemDiv1_000348 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3c(OCC)cccc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P19 compound treatment 0.393 0.043 1.0 0.383 0.033 1.0 -1.0 -1.0 1970418 ChemDiv1_000349 CSc1nnc(o1)c2ccc(SC#N)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P20 compound treatment 0.388 0.038 1.0 0.37 0.02 1.0 -1.0 -1.0 1970419 ChemDiv1_000350 CC(=O)N1N=C(CC1c2cccc(Br)c2)c3c(c4ccccc4)c5cc(ccc5[nH]c3=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P21 compound treatment 0.386 0.036 1.0 0.371 0.021 1.0 -1.0 -1.0 1970420 ChemDiv1_000351 COc1cc(cc(OC)c1OC)C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P22 compound treatment 0.364 0.014 1.0 0.367 0.017 1.0 -1.0 -1.0 1970421 ChemDiv1_000352 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(OC)cc3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P23 mock treatment 0.149 -0.201 -1.0 0.139 -0.211 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.587 P24 positive control 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A01 compound treatment 0.377 0.027 1.0 0.368 0.018 1.0 -1.0 -1.0 1970422 ChemDiv1_000353 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cccc(OC)c3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A02 compound treatment 0.361 0.011 1.0 0.362 0.012 1.0 -1.0 -1.0 1928468 ChemDiv1_000354 O=c1oc(nc2sc3CCCCc3c12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A03 compound treatment 0.35 0.0 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970423 ChemDiv1_000355 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)c5ccccc25)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A04 compound treatment 0.356 0.006 1.0 0.355 0.005 1.0 -1.0 -1.0 1970424 ChemDiv1_000356 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A05 compound treatment 0.345 -0.005 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1539645 ChemDiv1_000357 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)S(=O)(=O)N(CC)CC)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A06 compound treatment 0.356 0.006 1.0 0.352 0.002 1.0 -1.0 -1.0 1970425 ChemDiv1_000358 Brc1ccccc1C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A07 compound treatment 0.427 0.077 1.0 0.424 0.074 1.0 -1.0 -1.0 1970426 ChemDiv1_000359 CN(C)c1ccc(/C=C\2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A08 compound treatment 0.355 0.005 1.0 0.352 0.002 1.0 -1.0 -1.0 1970427 ChemDiv1_000360 [O-][N+](=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A09 compound treatment 0.35 0.0 -1.0 0.351 0.001 1.0 -1.0 -1.0 1337175 ChemDiv1_000361 Nc1ccc(cc1)C(=O)Nc2nc3ccc(NC(=O)c4ccccc4)cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A10 compound treatment 0.357 0.007 1.0 0.356 0.006 1.0 -1.0 -1.0 1634994 ChemDiv1_000362 CCc1cc2c(=O)c(c(C)oc2cc1OC3OC(CO)C(O)C(O)C3O)c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A11 compound treatment 0.357 0.007 1.0 0.363 0.013 1.0 -1.0 -1.0 1970428 ChemDiv1_000363 COc1ccc(NCN2C(=O)S/C(=C/c3ccc4OCOc4c3)/C2=O)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A12 compound treatment 0.368 0.018 1.0 0.361 0.011 1.0 -1.0 -1.0 1970429 ChemDiv1_000364 Clc1ccccc1Nc2ccc(Nc3ccccc3Cl)c4C(=O)c5ccccc5C(=O)c24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A13 compound treatment 0.351 0.001 1.0 0.352 0.002 1.0 -1.0 -1.0 1970430 ChemDiv1_000365 CCCCCC(=O)Nc1nnc(CCOCCOCCc2nnc(NC(=O)CCCCC)s2)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A14 compound treatment 0.347 -0.003 -1.0 0.351 0.001 1.0 -1.0 -1.0 1646594 ChemDiv1_000366 CCOC(=O)CN1C(=O)c2ccccc2S1(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A15 compound treatment 0.345 -0.005 -1.0 0.352 0.002 1.0 -1.0 -1.0 1970431 ChemDiv1_000367 Cn1c2ccc(Br)cc2c3nc4ccccc4nc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A16 compound treatment 0.352 0.002 1.0 0.357 0.007 1.0 -1.0 -1.0 1970432 ChemDiv1_000368 CCc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A17 compound treatment 0.356 0.006 1.0 0.358 0.008 1.0 -1.0 -1.0 1503632 ChemDiv1_000369 OC(=O)Cn1c(SCc2cccc3ccccc23)nc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A18 compound treatment 0.349 -0.001 -1.0 0.354 0.004 1.0 -1.0 -1.0 1970433 ChemDiv1_000370 CCOc1ccccc1/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A19 compound treatment 0.338 -0.012 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970434 ChemDiv1_000371 NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(cc3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A20 compound treatment 0.339 -0.011 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970435 ChemDiv1_000372 CCOc1ccc(cc1)c2csc(n2)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A21 compound treatment 0.37 0.02 1.0 0.371 0.021 1.0 -1.0 -1.0 1970436 ChemDiv1_000373 OC(=O)c1ccc(cc1)N2N=C(CC2c3ccccc3)/C=C/c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A22 compound treatment 0.343 -0.007 -1.0 0.351 0.001 1.0 -1.0 -1.0 1970437 ChemDiv1_000374 CCSCCOC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 A24 positive control 0.08 -0.27 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B01 compound treatment 0.367 0.017 1.0 0.385 0.035 1.0 -1.0 -1.0 1970438 ChemDiv1_000375 COc1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B02 compound treatment 0.34 -0.01 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1970439 ChemDiv1_000376 CSc1nc2ccc(NC(=O)c3cccc(c3)[N+](=O)[O-])cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B03 compound treatment 0.347 -0.003 -1.0 0.354 0.004 1.0 -1.0 -1.0 1970440 ChemDiv1_000377 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(Br)cc3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B04 compound treatment 0.345 -0.005 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1300464 ChemDiv1_000378 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(Cl)c3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B05 compound treatment 0.345 -0.005 -1.0 0.36 0.01 1.0 -1.0 -1.0 1970441 ChemDiv1_000379 COc1cccc2cc(C(=O)NC(=O)C)c(=Nc3cccc(c3)C(F)(F)F)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B06 compound treatment 0.343 -0.007 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970442 ChemDiv1_000380 CCCCOc1ccc(cc1)C(=O)Oc2cc(C)c3oc(C=O)c(C(=O)OCC)c3c2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B07 compound treatment 0.348 -0.002 -1.0 0.351 0.001 1.0 -1.0 -1.0 1388754 ChemDiv1_000381 CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3ccc(C#N)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B08 compound treatment 0.358 0.008 1.0 0.369 0.019 1.0 -1.0 -1.0 1281496 ChemDiv1_000382 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B09 compound treatment 0.347 -0.003 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1568607 ChemDiv1_000383 COc1cccc2cc(C(=O)Nc3ccccc3)c(=Nc4ccc(C#N)cc4)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B10 compound treatment 0.352 0.002 1.0 0.35 0.0 -1.0 -1.0 -1.0 1200826 ChemDiv1_000384 CN(C(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2)S(=O)(=O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B11 compound treatment 0.353 0.003 1.0 0.376 0.026 1.0 -1.0 -1.0 1970443 ChemDiv1_000385 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B12 compound treatment 0.335 -0.015 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970444 ChemDiv1_000386 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)C(c4ccccc4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B13 compound treatment 0.351 0.001 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1778358 ChemDiv1_000387 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccc(cc3)[N+](=O)[O-])c(c2)c4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B14 compound treatment 0.329 -0.021 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1915381 ChemDiv1_000388 Cc1nc2cc(NC(=O)c3ccc(cc3)[N+](=O)[O-])ccc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B15 compound treatment 0.34 -0.01 -1.0 0.359 0.009 1.0 -1.0 -1.0 1091803 ChemDiv1_000389 COC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B16 compound treatment 0.32 -0.03 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1071060 ChemDiv1_000390 COC(=O)C1Cc2c(CN1)[nH]c3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B17 compound treatment 0.339 -0.011 -1.0 0.359 0.009 1.0 -1.0 -1.0 1970445 ChemDiv1_000391 CCOc1cc(/C=C\2/SC(=N)NC2=O)ccc1OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B18 compound treatment 0.344 -0.006 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1970446 ChemDiv1_000392 OC(=O)CCN1C(=O)/C(=C/c2ccc(Br)cc2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B19 compound treatment 0.537 0.187 1.0 0.53 0.18 1.0 -1.0 -1.0 1970447 ChemDiv1_000393 COc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B20 compound treatment 0.351 0.001 1.0 0.362 0.012 1.0 -1.0 -1.0 1970448 ChemDiv1_000394 Cc1cc([N+](=O)[O-])c2[nH]c3C(=O)NCCc3c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B21 compound treatment 0.354 0.004 1.0 0.36 0.01 1.0 -1.0 -1.0 1939032 ChemDiv1_000395 COc1ccccc1OCCSc2nc3ccccc3n2CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B22 compound treatment 0.395 0.045 1.0 0.397 0.047 1.0 -1.0 -1.0 1970449 ChemDiv1_000396 OC(=O)CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccccc3)c2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 B24 positive control 0.078 -0.272 -1.0 0.078 -0.272 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C01 compound treatment 0.376 0.026 1.0 0.372 0.022 1.0 -1.0 -1.0 1970450 ChemDiv1_000397 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccccc3OC)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C02 compound treatment 0.348 -0.002 -1.0 0.356 0.006 1.0 -1.0 -1.0 1970451 ChemDiv1_000398 CC(=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C03 compound treatment 0.346 -0.004 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1970452 ChemDiv1_000399 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cccs3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C04 compound treatment 0.346 -0.004 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1970453 ChemDiv1_000400 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCCCC4)c5ccc(cc5)S(=O)(=O)N6CCCCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C05 compound treatment 0.341 -0.009 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1328515 ChemDiv1_000401 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4cccs4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C06 compound treatment 0.355 0.005 1.0 0.363 0.013 1.0 -1.0 -1.0 1970454 ChemDiv1_000402 Brc1cccc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C07 compound treatment 0.356 0.006 1.0 0.36 0.01 1.0 -1.0 -1.0 1970455 ChemDiv1_000403 COc1ccc(/C=C\2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C08 compound treatment 0.362 0.012 1.0 0.365 0.015 1.0 -1.0 -1.0 1970456 ChemDiv1_000404 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C09 compound treatment 0.369 0.019 1.0 0.371 0.021 1.0 -1.0 -1.0 1462982 ChemDiv1_000405 CC(=O)Nc1nc2ccc(NC(=O)c3ccc(N)cc3)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C10 compound treatment 0.349 -0.001 -1.0 0.354 0.004 1.0 -1.0 -1.0 1384064 ChemDiv1_000406 O=C(Nc1ccccc1c2nc3ccccc3s2)c4ccc(cc4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C11 compound treatment 0.343 -0.007 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970457 ChemDiv1_000407 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc3ccccc3[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C12 compound treatment 0.332 -0.018 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1944606 ChemDiv1_000408 CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3[nH]2)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C13 compound treatment 0.338 -0.012 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1489253 ChemDiv1_000409 CN1CCc2c(C1)[nH]c3ccc(C)cc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C14 compound treatment 0.347 -0.003 -1.0 0.355 0.005 1.0 -1.0 -1.0 1397274 ChemDiv1_000410 OC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C15 compound treatment 0.344 -0.006 -1.0 0.353 0.003 1.0 -1.0 -1.0 1970458 ChemDiv1_000411 COc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Br)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C16 compound treatment 0.346 -0.004 -1.0 0.354 0.004 1.0 -1.0 -1.0 1970459 ChemDiv1_000412 Cc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C17 compound treatment 0.353 0.003 1.0 0.361 0.011 1.0 -1.0 -1.0 1970460 ChemDiv1_000413 Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C18 compound treatment 0.348 -0.002 -1.0 0.353 0.003 1.0 -1.0 -1.0 1970461 ChemDiv1_000414 CCOc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C19 compound treatment 0.349 -0.001 -1.0 0.355 0.005 1.0 -1.0 -1.0 1970462 ChemDiv1_000415 NC(=O)c1cc2cc(Br)ccc2oc1=Nc3cccc(c3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C20 compound treatment 0.343 -0.007 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1970463 ChemDiv1_000416 COc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C21 compound treatment 0.349 -0.001 -1.0 0.352 0.002 1.0 -1.0 -1.0 1418426 ChemDiv1_000417 CC(Sc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C22 compound treatment 0.322 -0.028 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1920105 ChemDiv1_000418 CC1=C(C(NC(=O)N1)c2ccc(Cl)c(Cl)c2)C(=O)OCC(F)(F)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C23 mock treatment 0.107 -0.243 -1.0 0.11 -0.24 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 C24 positive control 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D01 compound treatment 0.389 0.039 1.0 0.391 0.041 1.0 -1.0 -1.0 1970464 ChemDiv1_000419 COc1ccccc1N2C(=O)NC(=O)/C(=C/NCC3(C)CC(O)CC(C)(C)C3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D02 compound treatment 0.335 -0.015 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1594060 ChemDiv1_000420 CSc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D03 compound treatment 0.37 0.02 1.0 0.37 0.02 1.0 -1.0 -1.0 1970465 ChemDiv1_000421 Brc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccccc34)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D04 compound treatment 0.35 0.0 -1.0 0.352 0.002 1.0 -1.0 -1.0 1561735 ChemDiv1_000422 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(Cl)cc3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D05 compound treatment 0.337 -0.013 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1469813 ChemDiv1_000423 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(C#N)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D06 compound treatment 0.345 -0.005 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1556839 ChemDiv1_000424 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cc(C)cc(C)c3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D07 compound treatment 0.343 -0.007 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1317768 ChemDiv1_000425 CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3cccc(C#N)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D08 compound treatment 0.334 -0.016 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970466 ChemDiv1_000426 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(cc3Cl)[N+](=O)[O-])c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D09 compound treatment 0.34 -0.01 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970467 ChemDiv1_000427 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D10 compound treatment 0.343 -0.007 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1970468 ChemDiv1_000428 CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c3c(OCC)ccc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D11 compound treatment 0.351 0.001 1.0 0.374 0.024 1.0 -1.0 -1.0 1970469 ChemDiv1_000429 CN(C)c1ccc(cc1)C2NC(Cc3c2[nH]c4ccccc34)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D12 compound treatment 0.329 -0.021 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1434310 ChemDiv1_000430 CCNc1nc(NCC)nc(SCC(=O)c2ccc(OC)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D13 compound treatment 0.341 -0.009 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1602658 ChemDiv1_000431 CSc1nnc-2c(OC(Nc3ccccc32)c4ccccc4F)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D14 compound treatment 0.343 -0.007 -1.0 0.352 0.002 1.0 -1.0 -1.0 1580527 ChemDiv1_000432 COc1ccc(cc1)C(=O)Nc2ccc3sc(C)nc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D15 compound treatment 0.339 -0.011 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1194451 ChemDiv1_000433 NC(=O)c1cc2c(ccc3ccccc32)oc1=Nc4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D16 compound treatment 0.345 -0.005 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970470 ChemDiv1_000434 O=C/1N(C(=S)S\C1=C/c2ccc(o2)c3cccc4C(=O)c5ccccc5C(=O)c34)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D17 compound treatment 0.592 0.242 1.0 0.609 0.259 1.0 -1.0 -1.0 1970471 ChemDiv1_000435 CCOc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D18 compound treatment 0.344 -0.006 -1.0 0.356 0.006 1.0 -1.0 -1.0 1970472 ChemDiv1_000436 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D19 compound treatment 0.331 -0.019 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1970473 ChemDiv1_000437 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D20 compound treatment 0.334 -0.016 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1018081 ChemDiv1_000438 OC(=O)CCSc1ncnc2[nH]cnc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D21 compound treatment 0.341 -0.009 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1583013 ChemDiv1_000439 CCCn1c(SCC(=O)O)nc2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D22 compound treatment 0.45 0.1 1.0 0.45 0.1 1.0 -1.0 -1.0 1970474 ChemDiv1_000440 COc1cc(OC)cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 D24 positive control 0.081 -0.269 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E01 compound treatment 0.371 0.021 1.0 0.375 0.025 1.0 -1.0 -1.0 1970475 ChemDiv1_000441 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(OCC)cc3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E02 compound treatment 0.353 0.003 1.0 0.359 0.009 1.0 -1.0 -1.0 1970476 ChemDiv1_000442 COc1cc(OC)cc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E03 compound treatment 0.344 -0.006 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1295659 ChemDiv1_000443 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccccc4C)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E04 compound treatment 0.328 -0.022 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970477 ChemDiv1_000444 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCCCC4)c5ccc(cc5)S(=O)(=O)N6CCOCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E05 compound treatment 0.354 0.004 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1152470 ChemDiv1_000445 CN1CCN(CC1)c2nc(c3ccccc3)c4cc(Cl)ccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E06 compound treatment 0.324 -0.026 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1970478 ChemDiv1_000446 Brc1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E07 compound treatment 0.37 0.02 1.0 0.386 0.036 1.0 -1.0 -1.0 1970479 ChemDiv1_000447 COc1c(I)cc(I)cc1/C=C\2/SC(=S)N(CC(=O)O)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E08 compound treatment 0.317 -0.033 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1970480 ChemDiv1_000448 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4)/C=C/c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E09 compound treatment 0.368 0.018 1.0 0.363 0.013 1.0 -1.0 -1.0 1467811 ChemDiv1_000449 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E10 compound treatment 0.342 -0.008 -1.0 0.357 0.007 1.0 -1.0 -1.0 1420180 ChemDiv1_000450 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)c4ccccc4)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E11 compound treatment 0.325 -0.025 -1.0 0.361 0.011 1.0 -1.0 -1.0 1970481 ChemDiv1_000451 COc1cc(/C=C\2/NC(=S)NC2=O)ccc1OCc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E12 compound treatment 0.748 0.398 1.0 0.758 0.408 1.0 -1.0 -1.0 1970482 ChemDiv1_000452 OC(=O)CN1C(=O)/C(=C\c2cc(ccc2O)[N+](=O)[O-])/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E13 compound treatment 0.39 0.04 1.0 0.395 0.045 1.0 -1.0 -1.0 1970483 ChemDiv1_000453 COc1cc(N(C)C)c(cc1C(=O)NCCN2CCN(C)CC2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E14 compound treatment 0.331 -0.019 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1467796 ChemDiv1_000454 Brc1ccc(cc1S(=O)(=O)N2CCCCC2)C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E15 compound treatment 0.338 -0.012 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970484 ChemDiv1_000455 COc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(c3)[N+](=O)[O-])/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E16 compound treatment 0.348 -0.002 -1.0 0.353 0.003 1.0 -1.0 -1.0 1970485 ChemDiv1_000456 COc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E17 compound treatment 0.358 0.008 1.0 0.361 0.011 1.0 -1.0 -1.0 1936300 ChemDiv1_000457 COc1ccccc1OCCSc2nc3ccccc3n2CC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E18 compound treatment 0.353 0.003 1.0 0.358 0.008 1.0 -1.0 -1.0 1970486 ChemDiv1_000458 CCCCOc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E19 compound treatment 0.361 0.011 1.0 0.358 0.008 1.0 -1.0 -1.0 1970487 ChemDiv1_000459 NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3ccc(cc3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E20 compound treatment 0.348 -0.002 -1.0 0.354 0.004 1.0 -1.0 -1.0 1020333 ChemDiv1_000460 CC1NC(Cc2c1[nH]c3ccccc23)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E21 compound treatment 0.353 0.003 1.0 0.355 0.005 1.0 -1.0 -1.0 1970488 ChemDiv1_000461 COC(=O)C(C)Sc1nc2ccccc2[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E22 compound treatment 0.338 -0.012 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1437133 ChemDiv1_000462 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 E24 positive control 0.083 -0.267 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F01 compound treatment 0.338 -0.012 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1420114 ChemDiv1_000463 C=CCC1C(=O)NC(=S)NC1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F02 compound treatment 0.373 0.023 1.0 0.376 0.026 1.0 -1.0 -1.0 1682158 ChemDiv1_000464 COc1ccccc1C(=O)Nc2ccc3nc(SC)sc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F03 compound treatment 0.36 0.01 1.0 0.366 0.016 1.0 -1.0 -1.0 1970489 ChemDiv1_000465 CCOC(=O)c1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(cc3)N(C)C)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F04 compound treatment 0.353 0.003 1.0 0.365 0.015 1.0 -1.0 -1.0 1520504 ChemDiv1_000466 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccccc3Br)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F05 compound treatment 0.381 0.031 1.0 0.385 0.035 1.0 -1.0 -1.0 1477534 ChemDiv1_000467 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3cccc(C#N)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F06 compound treatment 0.35 0.0 -1.0 0.365 0.015 1.0 -1.0 -1.0 1537900 ChemDiv1_000468 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F07 compound treatment 0.352 0.002 1.0 0.363 0.013 1.0 -1.0 -1.0 1226652 ChemDiv1_000469 CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3ccc(F)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F08 compound treatment 0.347 -0.003 -1.0 0.367 0.017 1.0 -1.0 -1.0 1970490 ChemDiv1_000470 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)/C=C/c3ccccc3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F09 compound treatment 0.37 0.02 1.0 0.379 0.029 1.0 -1.0 -1.0 1055459 ChemDiv1_000471 OC(=O)C1Cc2c(CN1)[nH]c3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F10 compound treatment 0.324 -0.026 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1970491 ChemDiv1_000472 Cc1csc2nc(CSc3nc4ccccc4s3)c(Br)n12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F11 compound treatment 0.34 -0.01 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1569024 ChemDiv1_000473 Nc1ncnc2[nH]c(SCc3ccc4nsnc4c3)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F12 compound treatment 0.332 -0.018 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970492 ChemDiv1_000474 COc1ccc(cc1)C2CC(=NN2C(=O)CCCl)c3nc4ccccc4[nH]3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F13 compound treatment 0.351 0.001 1.0 0.35 0.0 -1.0 -1.0 -1.0 1501373 ChemDiv1_000475 COc1ccc(cc1Br)C2Nc3ccccc3-c4nnc(SC)nc4O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F14 compound treatment 0.328 -0.022 -1.0 0.37 0.02 1.0 -1.0 -1.0 1921947 ChemDiv1_000476 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccc4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F15 compound treatment 0.335 -0.015 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970493 ChemDiv1_000477 O=c1oc2ccccc2cc1c3csc(CCCCc4nc(cs4)c5cc6ccccc6oc5=O)n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F16 compound treatment 0.344 -0.006 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1970494 ChemDiv1_000478 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(Br)cc4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F17 compound treatment 0.401 0.051 1.0 0.394 0.044 1.0 -1.0 -1.0 1970495 ChemDiv1_000479 OC(=O)CN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F18 compound treatment 0.384 0.034 1.0 0.396 0.046 1.0 -1.0 -1.0 1970496 ChemDiv1_000480 CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F19 compound treatment 0.501 0.151 1.0 0.492 0.142 1.0 -1.0 -1.0 1939855 ChemDiv1_000481 COc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F20 compound treatment 0.357 0.007 1.0 0.356 0.006 1.0 -1.0 -1.0 1970497 ChemDiv1_000482 OC(=O)Cn1c(SCCOc2ccccc2F)nc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F21 compound treatment 0.359 0.009 1.0 0.365 0.015 1.0 -1.0 -1.0 1970498 ChemDiv1_000483 Cc1ccccc1OCCSc2nc3ccccc3n2CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F22 compound treatment 0.365 0.015 1.0 0.375 0.025 1.0 -1.0 -1.0 1936927 ChemDiv1_000484 COc1cccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3cccc(OC)c3)n2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 F24 positive control 0.083 -0.267 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G01 compound treatment 0.377 0.027 1.0 0.375 0.025 1.0 -1.0 -1.0 1970499 ChemDiv1_000485 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(cc3)[N+](=O)[O-])c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G02 compound treatment 0.355 0.005 1.0 0.361 0.011 1.0 -1.0 -1.0 1970500 ChemDiv1_000486 [O-][N+](=O)c1ccccc1C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G03 compound treatment 0.344 -0.006 -1.0 0.353 0.003 1.0 -1.0 -1.0 1543116 ChemDiv1_000487 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(C)cc4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G04 compound treatment 0.36 0.01 1.0 0.377 0.027 1.0 -1.0 -1.0 1970501 ChemDiv1_000488 Cc1ccccc1C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G05 compound treatment 0.371 0.021 1.0 0.378 0.028 1.0 -1.0 -1.0 1970502 ChemDiv1_000489 COc1ccc(cc1)C2CC(=NN2C(=O)C)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G06 compound treatment 0.359 0.009 1.0 0.377 0.027 1.0 -1.0 -1.0 1970503 ChemDiv1_000490 Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G07 compound treatment 0.376 0.026 1.0 0.384 0.034 1.0 -1.0 -1.0 1970504 ChemDiv1_000491 OC(=O)CN1C(=O)/C(=C/c2cccc(Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G08 compound treatment 0.346 -0.004 -1.0 0.37 0.02 1.0 -1.0 -1.0 1970505 ChemDiv1_000492 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G09 compound treatment 0.359 0.009 1.0 0.375 0.025 1.0 -1.0 -1.0 1970506 ChemDiv1_000493 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G10 compound treatment 0.36 0.01 1.0 0.369 0.019 1.0 -1.0 -1.0 1970507 ChemDiv1_000494 [O-][N+](=O)c1ccccc1C(=O)OCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G11 compound treatment 0.343 -0.007 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970508 ChemDiv1_000495 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G12 compound treatment 0.48 0.13 1.0 0.483 0.133 1.0 -1.0 -1.0 1970509 ChemDiv1_000496 OC(=O)CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2O)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G13 compound treatment 0.338 -0.012 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1134676 ChemDiv1_000497 Clc1cccc(c1)C(=O)NCCN2CCN(CC2)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G14 compound treatment 0.338 -0.012 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1439075 ChemDiv1_000498 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Oc2cccc3cccnc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G15 compound treatment 0.381 0.031 1.0 0.388 0.038 1.0 -1.0 -1.0 1970510 ChemDiv1_000499 COc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)c(c3)[N+](=O)[O-])/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G16 compound treatment 0.343 -0.007 -1.0 0.353 0.003 1.0 -1.0 -1.0 1970511 ChemDiv1_000500 Clc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G17 compound treatment 0.346 -0.004 -1.0 0.361 0.011 1.0 -1.0 -1.0 1970512 ChemDiv1_000501 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G18 compound treatment 0.344 -0.006 -1.0 0.36 0.01 1.0 -1.0 -1.0 1970513 ChemDiv1_000502 CCCCCCCCOc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G19 compound treatment 0.363 0.013 1.0 0.365 0.015 1.0 -1.0 -1.0 1970514 ChemDiv1_000503 NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3cccc(c3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G20 compound treatment 0.343 -0.007 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970515 ChemDiv1_000504 CCCCCCC1C(=O)NC(=S)NC1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G21 compound treatment 0.347 -0.003 -1.0 0.351 0.001 1.0 -1.0 -1.0 1970516 ChemDiv1_000505 CCOC(=O)CSc1nc2ccccc2n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G22 compound treatment 0.328 -0.022 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1285459 ChemDiv1_000506 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 G24 positive control 0.085 -0.265 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H01 compound treatment 0.386 0.036 1.0 0.396 0.046 1.0 -1.0 -1.0 1970517 ChemDiv1_000507 CC(CO)(CO)N/C=C\1/C(=O)NC(=O)N(C1=O)c2ccc(Br)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H02 compound treatment 0.387 0.037 1.0 0.387 0.037 1.0 -1.0 -1.0 1970518 ChemDiv1_000508 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(NC(=O)c4ccc(cc4)S(=O)(=O)N(CCC)CCC)cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H03 compound treatment 0.347 -0.003 -1.0 0.364 0.014 1.0 -1.0 -1.0 1970519 ChemDiv1_000509 COc1ccc2oc(=Nc3ccc(cc3)C(F)(F)F)c(cc2c1)C(=O)NC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H04 compound treatment 0.352 0.002 1.0 0.364 0.014 1.0 -1.0 -1.0 1597201 ChemDiv1_000510 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(Br)c3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H05 compound treatment 0.375 0.025 1.0 0.371 0.021 1.0 -1.0 -1.0 1970520 ChemDiv1_000511 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(cc3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H06 compound treatment 0.358 0.008 1.0 0.366 0.016 1.0 -1.0 -1.0 1423813 ChemDiv1_000512 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(cc3)C(=O)c4ccccc4)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H07 compound treatment 0.354 0.004 1.0 0.377 0.027 1.0 -1.0 -1.0 1324755 ChemDiv1_000513 CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=Nc3cccc(F)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H08 compound treatment 0.37 0.02 1.0 0.382 0.032 1.0 -1.0 -1.0 1492881 ChemDiv1_000514 CCOc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H09 compound treatment 0.331 -0.019 -1.0 0.375 0.025 1.0 -1.0 -1.0 1970521 ChemDiv1_000515 CCCCCCCCCC1NC(Cc2c1[nH]c3ccccc23)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H10 compound treatment 0.338 -0.012 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970522 ChemDiv1_000516 Brc1c(CSc2nc3ccccc3s2)nc4sccn14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H11 compound treatment 0.347 -0.003 -1.0 0.352 0.002 1.0 -1.0 -1.0 1118277 ChemDiv1_000517 Nc1ncnc2[nH]c(SCCN3CCCCC3)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H12 compound treatment 0.366 0.016 1.0 0.373 0.023 1.0 -1.0 -1.0 1970523 ChemDiv1_000518 C1CCN(CC1)c2ncnc3[nH]c(/C=C/c4ccccc4)nc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H13 compound treatment 0.347 -0.003 -1.0 0.359 0.009 1.0 -1.0 -1.0 1275679 ChemDiv1_000519 CSc1nnc-2c(OC(C)(C)Nc3ccccc32)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H14 compound treatment 0.38 0.03 1.0 0.386 0.036 1.0 -1.0 -1.0 1937623 ChemDiv1_000520 Cc1c(NC(=O)CCCN2C(=O)c3cccc4cccc(C2=O)c34)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H15 compound treatment 0.325 -0.025 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1970524 ChemDiv1_000521 CCc1ccc(Sc2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2Sc5ccc(CC)cc5)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H16 compound treatment 0.345 -0.005 -1.0 0.355 0.005 1.0 -1.0 -1.0 1455355 ChemDiv1_000522 CCOC(=O)c1sc(=S)n(c1N)c2ccccc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H17 compound treatment 0.326 -0.024 -1.0 0.351 0.001 1.0 -1.0 -1.0 1970525 ChemDiv1_000523 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H18 compound treatment 0.351 0.001 1.0 0.362 0.012 1.0 -1.0 -1.0 1970526 ChemDiv1_000524 CN1CCN(CC1)C(=O)CN2C(=O)S/C(=C\c3ccc(Br)cc3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H19 compound treatment 0.442 0.092 1.0 0.446 0.096 1.0 -1.0 -1.0 1935245 ChemDiv1_000525 OC(=O)CN1C(=O)/C(=C\c2cc(ccc2Cl)[N+](=O)[O-])/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H20 compound treatment 0.35 0.0 -1.0 0.36 0.01 1.0 -1.0 -1.0 1970527 ChemDiv1_000526 COc1ccc(/C=C\2/SC(=N)NC2=O)cc1OCc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H21 compound treatment 0.357 0.007 1.0 0.36 0.01 1.0 -1.0 -1.0 1970528 ChemDiv1_000527 COc1cc(cc(OC)c1OC)C(=O)Oc2ccc3c(OC)c4ccoc4nc3c2OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H22 compound treatment 0.352 0.002 1.0 0.357 0.007 1.0 -1.0 -1.0 1937509 ChemDiv1_000528 COc1ccccc1Nc2nc(C)c([N+](=O)[O-])c(Nc3ccccc3OC)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 H24 positive control 0.084 -0.266 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I01 compound treatment 0.373 0.023 1.0 0.377 0.027 1.0 -1.0 -1.0 1970529 ChemDiv1_000529 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I02 compound treatment 0.348 -0.002 -1.0 0.358 0.008 1.0 -1.0 -1.0 1970530 ChemDiv1_000530 [O-][N+](=O)c1cccc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I03 compound treatment 0.343 -0.007 -1.0 0.357 0.007 1.0 -1.0 -1.0 1970531 ChemDiv1_000531 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I04 compound treatment 0.349 -0.001 -1.0 0.363 0.013 1.0 -1.0 -1.0 1970532 ChemDiv1_000532 Cc1cccc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I05 compound treatment 0.243 -0.107 -1.0 0.262 -0.088 -1.0 -1.0 -1.0 1970533 ChemDiv1_000533 OC(=O)CN1C(=O)/C(=C\c2ccc(o2)c3ccc(I)cc3)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I06 compound treatment 0.342 -0.008 -1.0 0.354 0.004 1.0 -1.0 -1.0 1970534 ChemDiv1_000534 Clc1cc(Cl)cc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I07 compound treatment 0.355 0.005 1.0 0.369 0.019 1.0 -1.0 -1.0 1970535 ChemDiv1_000535 COc1cccc(/C=C\2/S/C(=N\c3ccccc3Cl)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I08 compound treatment 0.378 0.028 1.0 0.395 0.045 1.0 -1.0 -1.0 1970536 ChemDiv1_000536 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I09 compound treatment 0.429 0.079 1.0 0.451 0.101 1.0 -1.0 -1.0 1970537 ChemDiv1_000537 COc1ccc(/C=C/2\S\C(=N/c3ccccc3Cl)\NC2=O)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I10 compound treatment 0.37 0.02 1.0 0.38 0.03 1.0 -1.0 -1.0 1970538 ChemDiv1_000538 [O-][N+](=O)c1cccc(c1)C(=O)OCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I11 compound treatment 0.381 0.031 1.0 0.382 0.032 1.0 -1.0 -1.0 1970539 ChemDiv1_000539 COc1cc(/C=C\2/SC(=N)NC2=O)ccc1OCc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I12 compound treatment 0.602 0.252 1.0 0.617 0.267 1.0 -1.0 -1.0 1943933 ChemDiv1_000540 OC(=O)CN1C(=O)/C(=C\c2cc(cc(Br)c2O)[N+](=O)[O-])/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I13 compound treatment 0.391 0.041 1.0 0.396 0.046 1.0 -1.0 -1.0 1970540 ChemDiv1_000541 COc1cc(N(C)C)c(cc1C(=O)NCCN2CCN(CC2)c3ccccc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I14 compound treatment 0.387 0.037 1.0 0.391 0.041 1.0 -1.0 -1.0 1505671 ChemDiv1_000542 O=C1CCCC2=C1C(C3=C(CCCC3=O)O2)c4ccc(cc4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I15 compound treatment 0.371 0.021 1.0 0.384 0.034 1.0 -1.0 -1.0 1207899 ChemDiv1_000543 CC(=O)Nc1ccc(cc1)c2nc(c3ccccc3)c4cc(NC(=O)C)ccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I16 compound treatment 0.314 -0.036 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1970541 ChemDiv1_000544 Clc1ccccc1/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I17 compound treatment 0.35 0.0 -1.0 0.357 0.007 1.0 -1.0 -1.0 1970542 ChemDiv1_000545 Cc1cccc(c1)c2nc3cc(NC(=O)c4cc([N+](=O)[O-])c(C)c(c4)[N+](=O)[O-])ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I18 compound treatment 0.355 0.005 1.0 0.36 0.01 1.0 -1.0 -1.0 1970543 ChemDiv1_000546 [O-][N+](=O)c1ccccc1/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I19 compound treatment 0.349 -0.001 -1.0 0.359 0.009 1.0 -1.0 -1.0 1970544 ChemDiv1_000547 CCN(CC)c1ccc2cc(C(=O)N)c(=Nc3ccc(cc3)C(F)(F)F)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I20 compound treatment 0.363 0.013 1.0 0.367 0.017 1.0 -1.0 -1.0 1970545 ChemDiv1_000548 COc1ccccc1N2C(=O)NC(=O)/C(=C/c3cn(C(=O)C)c4ccccc34)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I21 compound treatment 0.364 0.014 1.0 0.364 0.014 1.0 -1.0 -1.0 1970546 ChemDiv1_000549 COc1ccc(C2SCC(=O)N2c3c(C)n(C)n(c4ccccc4)c3=O)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I22 compound treatment 0.351 0.001 1.0 0.357 0.007 1.0 -1.0 -1.0 1970547 ChemDiv1_000550 COc1nc(cc(c1C#N)c2ccc(Cl)cc2)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 I24 positive control 0.087 -0.263 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J01 compound treatment 0.388 0.038 1.0 0.389 0.039 1.0 -1.0 -1.0 1526110 ChemDiv1_000551 CN1C(=O)N(C)C(=O)C(=C(NCCN2CCCCC2)c3ccccc3Cl)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J02 compound treatment 0.354 0.004 1.0 0.352 0.002 1.0 -1.0 -1.0 1135087 ChemDiv1_000552 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccccc3C)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J03 compound treatment 0.36 0.01 1.0 0.367 0.017 1.0 -1.0 -1.0 1970548 ChemDiv1_000553 COc1ccc2oc(=Nc3cccc(c3)C(F)(F)F)c(cc2c1)C(=O)NC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J04 compound treatment 0.37 0.02 1.0 0.377 0.027 1.0 -1.0 -1.0 1267694 ChemDiv1_000554 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(OC)c3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J05 compound treatment 0.354 0.004 1.0 0.369 0.019 1.0 -1.0 -1.0 1970549 ChemDiv1_000555 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3cccc(c3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J06 compound treatment 0.351 0.001 1.0 0.359 0.009 1.0 -1.0 -1.0 1159004 ChemDiv1_000556 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(Cl)cc3Cl)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J07 compound treatment 0.35 0.0 -1.0 0.363 0.013 1.0 -1.0 -1.0 1362522 ChemDiv1_000557 COc1ccc2oc(=Nc3ccc(C#N)cc3)c(cc2c1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J08 compound treatment 0.348 -0.002 -1.0 0.371 0.021 1.0 -1.0 -1.0 1379546 ChemDiv1_000558 Cn1c(=O)n(C)c2nc(N3CCCCCC3)n(Cc4cccc(Br)c4)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J09 compound treatment 0.406 0.056 1.0 0.413 0.063 1.0 -1.0 -1.0 1970550 ChemDiv1_000559 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J10 compound treatment 0.375 0.025 1.0 0.355 0.005 1.0 -1.0 -1.0 1970551 ChemDiv1_000560 Cc1ccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J11 compound treatment 0.382 0.032 1.0 0.388 0.038 1.0 -1.0 -1.0 1496154 ChemDiv1_000561 O=c1n(c(CSc2ncnc3[nH]cnc23)nc4ccccc14)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J12 compound treatment 0.362 0.012 1.0 0.367 0.017 1.0 -1.0 -1.0 1775089 ChemDiv1_000562 [O-][N+](=O)c1cccc(c1)c2nc(nc(n2)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J13 compound treatment 0.341 -0.009 -1.0 0.351 0.001 1.0 -1.0 -1.0 1970552 ChemDiv1_000563 COc1ccc(OCCSc2nc3ccccc3n2CCO)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J14 compound treatment 0.37 0.02 1.0 0.38 0.03 1.0 -1.0 -1.0 1970553 ChemDiv1_000564 [O-][N+](=O)c1ccccc1C(=O)Nc2ccccc2c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J15 compound treatment 0.365 0.015 1.0 0.365 0.015 1.0 -1.0 -1.0 1658634 ChemDiv1_000565 CC(C)c1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J16 compound treatment 0.352 0.002 1.0 0.355 0.005 1.0 -1.0 -1.0 1970554 ChemDiv1_000566 COc1ccc(CC2S/C(=N\c3ccc(Cl)cc3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J17 compound treatment 0.358 0.008 1.0 0.379 0.029 1.0 -1.0 -1.0 1970555 ChemDiv1_000567 CCOc1cc(/C=C\2/SC(=N)NC2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J18 compound treatment 0.354 0.004 1.0 0.361 0.011 1.0 -1.0 -1.0 1917461 ChemDiv1_000568 Cc1c(NC(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3)/SC2=S)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J19 compound treatment 0.362 0.012 1.0 0.367 0.017 1.0 -1.0 -1.0 1970556 ChemDiv1_000569 OC(=O)CCn1c(SCCOc2ccc(Cl)cc2)nc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J20 compound treatment 0.346 -0.004 -1.0 0.354 0.004 1.0 -1.0 -1.0 1926764 ChemDiv1_000570 COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J21 compound treatment 0.36 0.01 1.0 0.356 0.006 1.0 -1.0 -1.0 1970557 ChemDiv1_000571 CC(=O)Nc1nc2ccccc2[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J22 compound treatment 0.345 -0.005 -1.0 0.354 0.004 1.0 -1.0 -1.0 1970558 ChemDiv1_000572 Fc1ccccc1/C=C\2/SC(=O)N(CNc3ccc(Br)cc3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 J24 positive control 0.085 -0.265 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K01 compound treatment 0.374 0.024 1.0 0.38 0.03 1.0 -1.0 -1.0 1970559 ChemDiv1_000573 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(Cl)cc3Cl)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K02 compound treatment 0.356 0.006 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970560 ChemDiv1_000574 [O-][N+](=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K03 compound treatment 0.344 -0.006 -1.0 0.355 0.005 1.0 -1.0 -1.0 1970561 ChemDiv1_000575 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)c5ccccc5)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K04 compound treatment 0.358 0.008 1.0 0.372 0.022 1.0 -1.0 -1.0 1970562 ChemDiv1_000576 Clc1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K05 compound treatment 0.342 -0.008 -1.0 0.363 0.013 1.0 -1.0 -1.0 1970563 ChemDiv1_000577 OC(=O)CN1C(=O)/C(=C\c2ccc(o2)c3ccc(cc3Cl)[N+](=O)[O-])/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K06 compound treatment 0.358 0.008 1.0 0.378 0.028 1.0 -1.0 -1.0 1970564 ChemDiv1_000578 COc1cc(OC)cc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K07 compound treatment 0.341 -0.009 -1.0 0.364 0.014 1.0 -1.0 -1.0 1970565 ChemDiv1_000579 Clc1ccccc1/N=C\2/NC(=O)/C(=C\c3cc4OCOc4cc3Br)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K08 compound treatment 0.354 0.004 1.0 0.364 0.014 1.0 -1.0 -1.0 1970566 ChemDiv1_000580 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4)c5ccc(cc5)S(=O)(=O)N6CCCCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K09 compound treatment 0.382 0.032 1.0 0.402 0.052 1.0 -1.0 -1.0 1970567 ChemDiv1_000581 Oc1c(/C=C/2\S\C(=N/c3ccccc3Cl)\NC2=O)cccc1[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K10 compound treatment 0.369 0.019 1.0 0.386 0.036 1.0 -1.0 -1.0 1970568 ChemDiv1_000582 [O-][N+](=O)c1ccc(C(=O)OCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K11 compound treatment 0.4 0.05 1.0 0.411 0.061 1.0 -1.0 -1.0 1970569 ChemDiv1_000583 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2nnc(CCOCCc3nnc(NC(=O)c4ccc(cc4)[N+](=O)[O-])s3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K12 compound treatment 0.407 0.057 1.0 0.412 0.062 1.0 -1.0 -1.0 1970570 ChemDiv1_000584 OC(=O)CN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2O)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K13 compound treatment 0.349 -0.001 -1.0 0.36 0.01 1.0 -1.0 -1.0 1453809 ChemDiv1_000585 NNC(=O)c1ccc2OCCOc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K14 compound treatment 0.352 0.002 1.0 0.359 0.009 1.0 -1.0 -1.0 1541674 ChemDiv1_000586 CC1(C)OC2C(CSC#N)OC(C2O1)n3cnc4c(O)ncnc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K15 compound treatment 0.345 -0.005 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1578254 ChemDiv1_000587 COc1ccc(OC)c(C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C)c1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K16 compound treatment 0.355 0.005 1.0 0.36 0.01 1.0 -1.0 -1.0 1970571 ChemDiv1_000588 Clc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K17 compound treatment 0.362 0.012 1.0 0.373 0.023 1.0 -1.0 -1.0 1777778 ChemDiv1_000589 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K18 compound treatment 0.356 0.006 1.0 0.359 0.009 1.0 -1.0 -1.0 1970572 ChemDiv1_000590 [O-][N+](=O)c1ccccc1/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K19 compound treatment 0.346 -0.004 -1.0 0.362 0.012 1.0 -1.0 -1.0 1970573 ChemDiv1_000591 FC(F)(F)c1cccc(NC(=O)c2cc3cc(Br)ccc3oc2=N)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K20 compound treatment 0.349 -0.001 -1.0 0.355 0.005 1.0 -1.0 -1.0 1013283 ChemDiv1_000592 CCOC(=O)CSc1nc2ccccc2[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K21 compound treatment 0.354 0.004 1.0 0.364 0.014 1.0 -1.0 -1.0 1323959 ChemDiv1_000593 Cn1c(SCC(=O)OCC(=O)c2ccc(Cl)cc2)nc3n(C)c(=O)[nH]c(=O)c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K22 compound treatment 0.351 0.001 1.0 0.355 0.005 1.0 -1.0 -1.0 1921193 ChemDiv1_000594 COc1cc(Br)cc(/C=C/2\Sc3ccccc3C2=O)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 K24 positive control 0.088 -0.262 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L01 compound treatment 0.398 0.048 1.0 0.4 0.05 1.0 -1.0 -1.0 1970574 ChemDiv1_000595 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(O)c(OCC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L02 compound treatment 0.357 0.007 1.0 0.366 0.016 1.0 -1.0 -1.0 1350240 ChemDiv1_000596 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(C)c3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L03 compound treatment 0.348 -0.002 -1.0 0.362 0.012 1.0 -1.0 -1.0 1970575 ChemDiv1_000597 COc1ccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(cc3)C(F)(F)F)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L04 compound treatment 0.368 0.018 1.0 0.381 0.031 1.0 -1.0 -1.0 1970576 ChemDiv1_000598 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccccc3[N+](=O)[O-])c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L05 compound treatment 0.375 0.025 1.0 0.384 0.034 1.0 -1.0 -1.0 1720511 ChemDiv1_000599 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(F)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L06 compound treatment 0.355 0.005 1.0 0.355 0.005 1.0 -1.0 -1.0 1429092 ChemDiv1_000600 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cc(Cl)cc(Cl)c3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L07 compound treatment 0.358 0.008 1.0 0.377 0.027 1.0 -1.0 -1.0 1545133 ChemDiv1_000601 COc1ccc2oc(=Nc3cccc(C#N)c3)c(cc2c1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L08 compound treatment 0.353 0.003 1.0 0.361 0.011 1.0 -1.0 -1.0 1352659 ChemDiv1_000602 CCC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L09 compound treatment 0.434 0.084 1.0 0.428 0.078 1.0 -1.0 -1.0 1970577 ChemDiv1_000603 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L10 compound treatment 0.391 0.041 1.0 0.404 0.054 1.0 -1.0 -1.0 1970578 ChemDiv1_000604 ClCCN(CCCl)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc4ccccc4c3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L11 compound treatment 0.373 0.023 1.0 0.367 0.017 1.0 -1.0 -1.0 1970579 ChemDiv1_000605 Nc1ncnc2[nH]c(SCc3nc4ccccc4c(=O)n3c5cccc(c5)C(F)(F)F)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L12 compound treatment 0.333 -0.017 -1.0 0.351 0.001 1.0 -1.0 -1.0 1048179 ChemDiv1_000606 Sc1nncc2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L13 compound treatment 0.346 -0.004 -1.0 0.389 0.039 1.0 -1.0 -1.0 1970580 ChemDiv1_000607 FC(F)(F)c1cccc(Nc2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L14 compound treatment 0.364 0.014 1.0 0.369 0.019 1.0 -1.0 -1.0 1970581 ChemDiv1_000608 COc1ccc(cc1)N2C(=O)C3C(C4C=CC3C5C4C(=O)N(C5=O)c6ccc(OC)cc6)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L15 compound treatment 0.378 0.028 1.0 0.387 0.037 1.0 -1.0 -1.0 1970582 ChemDiv1_000609 O=C(NCCCCCCOC1=NS(=O)(=O)c2ccccc12)C(=O)Nc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L16 compound treatment 0.339 -0.011 -1.0 0.36 0.01 1.0 -1.0 -1.0 1970583 ChemDiv1_000610 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3cn(nc3c4ccccc4)c5ccccc5)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L17 compound treatment 0.406 0.056 1.0 0.422 0.072 1.0 -1.0 -1.0 1970584 ChemDiv1_000611 OC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L18 compound treatment 0.392 0.042 1.0 0.41 0.06 1.0 -1.0 -1.0 1970585 ChemDiv1_000612 CCN(CC)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)cc3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L19 compound treatment 0.352 0.002 1.0 0.372 0.022 1.0 -1.0 -1.0 1970586 ChemDiv1_000613 COc1ccc(OCCSc2nc3ccccc3n2CCC(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L20 compound treatment 0.304 -0.046 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1970587 ChemDiv1_000614 COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L21 compound treatment 0.329 -0.021 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970588 ChemDiv1_000615 C=CCSc1nnc(COc2ccccc2)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L22 compound treatment 0.358 0.008 1.0 0.358 0.008 1.0 -1.0 -1.0 1970589 ChemDiv1_000616 Fc1ccccc1/C=C\2/SC(=O)N(CNc3cccc(Br)c3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 L24 positive control 0.088 -0.262 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M01 compound treatment 0.368 0.018 1.0 0.377 0.027 1.0 -1.0 -1.0 1365071 ChemDiv1_000617 CCOC(=O)c1c(oc2c1cc(OC(=O)Cc3ccccc3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M02 compound treatment 0.411 0.061 1.0 0.41 0.06 1.0 -1.0 -1.0 1970590 ChemDiv1_000618 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M03 compound treatment 0.349 -0.001 -1.0 0.356 0.006 1.0 -1.0 -1.0 1970591 ChemDiv1_000619 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)C(=O)c5ccccc5)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M04 compound treatment 0.357 0.007 1.0 0.372 0.022 1.0 -1.0 -1.0 1970592 ChemDiv1_000620 Clc1cccc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M05 compound treatment 0.492 0.142 1.0 0.507 0.157 1.0 -1.0 -1.0 1970593 ChemDiv1_000621 CCN(CC)c1ccc(/C=C\2/SC(=O)N(CNc3ccccc3OC)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M06 compound treatment 0.414 0.064 1.0 0.425 0.075 1.0 -1.0 -1.0 1970594 ChemDiv1_000622 COc1cc(cc(OC)c1OC)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M07 compound treatment 0.378 0.028 1.0 0.397 0.047 1.0 -1.0 -1.0 1970595 ChemDiv1_000623 Brc1ccc(cc1C(=O)Nc2ccccc2)S(=O)(=O)Nc3ccc(NC(=O)c4ccccc4)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M08 compound treatment 0.358 0.008 1.0 0.361 0.011 1.0 -1.0 -1.0 1970596 ChemDiv1_000624 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4)c5ccc(cc5)S(=O)(=O)N6CCOCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M09 compound treatment 0.374 0.024 1.0 0.366 0.016 1.0 -1.0 -1.0 1970597 ChemDiv1_000625 COc1ccc(/C=C\2/SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M10 compound treatment 0.377 0.027 1.0 0.388 0.038 1.0 -1.0 -1.0 1970598 ChemDiv1_000626 O=C(OCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4)/C=C\c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M11 compound treatment 0.36 0.01 1.0 0.36 0.01 1.0 -1.0 -1.0 1970599 ChemDiv1_000627 O=C(Nc1nnc(CCOCCOCCc2nnc(NC(=O)c3ccccc3)s2)s1)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M12 compound treatment 0.572 0.222 1.0 0.584 0.234 1.0 -1.0 -1.0 1970600 ChemDiv1_000628 COc1cc(OC)c(/C=C\2/SC(=S)N(CC(=O)O)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M13 compound treatment 0.362 0.012 1.0 0.367 0.017 1.0 -1.0 -1.0 1970601 ChemDiv1_000629 [O-][N+](=O)c1cccc(c1)C2Oc3ccccc3C4CC(=NN42)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M14 compound treatment 0.368 0.018 1.0 0.379 0.029 1.0 -1.0 -1.0 1970602 ChemDiv1_000630 CC1(C)OC2C(COS(=O)(=O)C)OC(C2O1)n3cnc4c(O)ncnc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M15 compound treatment 0.348 -0.002 -1.0 0.358 0.008 1.0 -1.0 -1.0 1719513 ChemDiv1_000631 CCOC(=O)c1c(NC(=O)c2cc3cc(OC)ccc3oc2=O)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M16 compound treatment 0.35 0.0 -1.0 0.367 0.017 1.0 -1.0 -1.0 1970603 ChemDiv1_000632 Clc1cccc(/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M17 compound treatment 0.376 0.026 1.0 0.381 0.031 1.0 -1.0 -1.0 1175489 ChemDiv1_000633 COc1ccccc1C(=O)Nc2ccc3oc(nc3c2)c4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M18 compound treatment 0.351 0.001 1.0 0.35 0.0 -1.0 -1.0 -1.0 1970604 ChemDiv1_000634 [O-][N+](=O)c1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M19 compound treatment 0.347 -0.003 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1970605 ChemDiv1_000635 CCN(CC)c1ccc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c(=O)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M20 compound treatment 0.362 0.012 1.0 0.37 0.02 1.0 -1.0 -1.0 1313489 ChemDiv1_000636 CN(C)c1ccc(cc1)c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M21 compound treatment 0.342 -0.008 -1.0 0.36 0.01 1.0 -1.0 -1.0 1120811 ChemDiv1_000637 CCOC(=O)C(CC)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M22 compound treatment 0.344 -0.006 -1.0 0.362 0.012 1.0 -1.0 -1.0 1776918 ChemDiv1_000638 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 M24 positive control 0.09 -0.26 -1.0 0.092 -0.258 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N01 compound treatment 0.363 0.013 1.0 0.37 0.02 1.0 -1.0 -1.0 1970606 ChemDiv1_000639 CCOC(=O)c1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OC)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N02 compound treatment 0.338 -0.012 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1709477 ChemDiv1_000640 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(C)cc3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N03 compound treatment 0.35 0.0 -1.0 0.352 0.002 1.0 -1.0 -1.0 1970607 ChemDiv1_000641 COc1ccc2cc(C(=O)NC(=O)C)c(=Nc3cccc(c3)C(F)(F)F)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N04 compound treatment 0.356 0.006 1.0 0.359 0.009 1.0 -1.0 -1.0 1970608 ChemDiv1_000642 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(c3)[N+](=O)[O-])c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N05 compound treatment 0.356 0.006 1.0 0.371 0.021 1.0 -1.0 -1.0 1388020 ChemDiv1_000643 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3cccc(F)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N06 compound treatment 0.341 -0.009 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1161104 ChemDiv1_000644 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)C3(CC4CC5CC(C4)C3)C5)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N07 compound treatment 0.35 0.0 -1.0 0.357 0.007 1.0 -1.0 -1.0 1197416 ChemDiv1_000645 COc1ccc2cc(C(=O)Nc3ccccc3)c(=Nc4ccc(C#N)cc4)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N08 compound treatment 0.358 0.008 1.0 0.354 0.004 1.0 -1.0 -1.0 1622113 ChemDiv1_000646 Cn1c(=O)[nH]c(=O)c2n(Cc3cccc(Br)c3)c(S)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N09 compound treatment 0.355 0.005 1.0 0.362 0.012 1.0 -1.0 -1.0 1916671 ChemDiv1_000647 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccc(O)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N10 compound treatment 0.37 0.02 1.0 0.378 0.028 1.0 -1.0 -1.0 1375476 ChemDiv1_000648 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)c4ccc(Oc5ccccc5)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N11 compound treatment 0.346 -0.004 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970609 ChemDiv1_000649 O=C1c2ccccc2C(=O)c3c(cccc13)c4cccc5C(=O)c6ccccc6C(=O)c45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N12 compound treatment 0.378 0.028 1.0 0.384 0.034 1.0 -1.0 -1.0 1687996 ChemDiv1_000650 CCCc1cc2c(=O)c(coc2cc1OC(C)C(=O)OC)c3ccc4OCCCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N13 compound treatment 0.358 0.008 1.0 0.363 0.013 1.0 -1.0 -1.0 1936704 ChemDiv1_000651 O=c1oc2ccccc2cc1c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N14 compound treatment 0.389 0.039 1.0 0.409 0.059 1.0 -1.0 -1.0 1970610 ChemDiv1_000652 CCC(=O)Oc1cccc(c1)N2C(=O)C3C(C4C=CC3C5C4C(=O)N(C5=O)c6cccc(OC(=O)CC)c6)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N15 compound treatment 0.357 0.007 1.0 0.363 0.013 1.0 -1.0 -1.0 1970611 ChemDiv1_000653 Brc1ccc(cc1)C(=O)OCCCNC2=NS(=O)(=O)c3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N16 compound treatment 0.373 0.023 1.0 0.374 0.024 1.0 -1.0 -1.0 1310953 ChemDiv1_000654 Cc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N17 compound treatment 0.328 -0.022 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1970612 ChemDiv1_000655 Clc1ccc(COc2ccc(/C=C\3/SC(=N)NC3=O)cc2)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N18 compound treatment 0.366 0.016 1.0 0.368 0.018 1.0 -1.0 -1.0 1970613 ChemDiv1_000656 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4cccc5-c6ccccc6C(=O)c54 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N19 compound treatment 0.388 0.038 1.0 0.387 0.037 1.0 -1.0 -1.0 1970614 ChemDiv1_000657 OC(=O)Cn1c(SCCOc2ccc3ccccc3c2)nc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N20 compound treatment 0.445 0.095 1.0 0.429 0.079 1.0 -1.0 -1.0 1970615 ChemDiv1_000658 COc1ccc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)cc1OCc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N21 compound treatment 0.349 -0.001 -1.0 0.352 0.002 1.0 -1.0 -1.0 1174899 ChemDiv1_000659 O=C(Nc1ccc2ncsc2c1)c3ccc(cc3)S(=O)(=O)N4CCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N22 compound treatment 0.357 0.007 1.0 0.36 0.01 1.0 -1.0 -1.0 1970616 ChemDiv1_000660 CCOc1ccc(/C=C\2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 N24 positive control 0.088 -0.262 -1.0 0.101 -0.249 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O01 compound treatment 0.347 -0.003 -1.0 0.355 0.005 1.0 -1.0 -1.0 1970617 ChemDiv1_000661 CCOC(=O)c1c(oc2c1cc(OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O02 compound treatment 0.331 -0.019 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970618 ChemDiv1_000662 O=C(Cc1ccccc1)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O03 compound treatment 0.336 -0.014 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1311237 ChemDiv1_000663 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)Cc4ccccc4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O04 compound treatment 0.347 -0.003 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1970619 ChemDiv1_000664 Clc1ccccc1C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O05 compound treatment 0.359 0.009 1.0 0.361 0.011 1.0 -1.0 -1.0 1970620 ChemDiv1_000665 Fc1ccc(/C=C\2/SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O06 compound treatment 0.365 0.015 1.0 0.365 0.015 1.0 -1.0 -1.0 1970621 ChemDiv1_000666 [O-][N+](=O)c1cccc(c1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O07 compound treatment 0.381 0.031 1.0 0.39 0.04 1.0 -1.0 -1.0 1381902 ChemDiv1_000667 COC(=O)c1ccc(cc1)C(=O)Nc2ccc3nc(NC(=O)C)sc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O08 compound treatment 0.352 0.002 1.0 0.353 0.003 1.0 -1.0 -1.0 1970622 ChemDiv1_000668 O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4)C5(CC6CC7CC(C6)C5)C7 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O09 compound treatment 0.359 0.009 1.0 0.37 0.02 1.0 -1.0 -1.0 1970623 ChemDiv1_000669 COc1ccc(NCN2C(=O)S/C(=C/c3ccccc3OC)/C2=O)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O10 compound treatment 0.346 -0.004 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1970624 ChemDiv1_000670 Cc1cc(C)c(Nc2ccc(Nc3ccc(cc3)[N+](=O)[O-])c4C(=O)c5ccccc5C(=O)c24)c(C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O11 compound treatment 0.384 0.034 1.0 0.404 0.054 1.0 -1.0 -1.0 1970625 ChemDiv1_000671 Cc1cccc(c1)C(=O)Nc2nnc(CCOCCOCCc3nnc(NC(=O)c4cccc(C)c4)s3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O12 compound treatment 0.393 0.043 1.0 0.41 0.06 1.0 -1.0 -1.0 1970626 ChemDiv1_000672 COC(=O)c1ccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O13 compound treatment 0.407 0.057 1.0 0.412 0.062 1.0 -1.0 -1.0 1058709 ChemDiv1_000673 Cn1c2ccccc2c3nc4ccccc4nc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O14 compound treatment 0.353 0.003 1.0 0.357 0.007 1.0 -1.0 -1.0 1527201 ChemDiv1_000674 COc1ccc(cc1)C(=O)Nc2ccc3oc(nc3c2)c4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O15 compound treatment 0.352 0.002 1.0 0.356 0.006 1.0 -1.0 -1.0 1530492 ChemDiv1_000675 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccc4F)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O16 compound treatment 0.362 0.012 1.0 0.37 0.02 1.0 -1.0 -1.0 1970627 ChemDiv1_000676 COc1ccccc1/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O17 compound treatment 0.361 0.011 1.0 0.371 0.021 1.0 -1.0 -1.0 1419744 ChemDiv1_000677 CCOC(=O)COc1nc(C)cc(COC)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O18 compound treatment 0.371 0.021 1.0 0.378 0.028 1.0 -1.0 -1.0 1970628 ChemDiv1_000678 Brc1ccc(/C=C(\C#N)/c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O19 compound treatment 0.354 0.004 1.0 0.362 0.012 1.0 -1.0 -1.0 1970629 ChemDiv1_000679 [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc2cccc(c2)c3cn4ccccc4n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O20 compound treatment 0.352 0.002 1.0 0.353 0.003 1.0 -1.0 -1.0 1443527 ChemDiv1_000680 O=C(N(C(=O)c1ccccc1)c2nc3CCCCc3s2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O21 compound treatment 0.366 0.016 1.0 0.363 0.013 1.0 -1.0 -1.0 1422777 ChemDiv1_000681 CC(C)CCn1c(SCC(=O)N)nc2n(C)c(=O)[nH]c(=O)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O22 compound treatment 0.363 0.013 1.0 0.367 0.017 1.0 -1.0 -1.0 1919690 ChemDiv1_000682 [O-][N+](=O)c1cccc(c1)C(=O)Nc2ccc3oc(nc3c2)c4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 O24 positive control 0.094 -0.256 -1.0 0.096 -0.254 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P01 compound treatment 0.366 0.016 1.0 0.365 0.015 1.0 -1.0 -1.0 1970630 ChemDiv1_000683 COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P02 compound treatment 0.357 0.007 1.0 0.359 0.009 1.0 -1.0 -1.0 1511721 ChemDiv1_000684 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccccc3Cl)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P03 compound treatment 0.355 0.005 1.0 0.354 0.004 1.0 -1.0 -1.0 1970631 ChemDiv1_000685 COc1cccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(cc3)C(F)(F)F)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P04 compound treatment 0.382 0.032 1.0 0.383 0.033 1.0 -1.0 -1.0 1970632 ChemDiv1_000686 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(cc3)[N+](=O)[O-])c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P05 compound treatment 0.387 0.037 1.0 0.392 0.042 1.0 -1.0 -1.0 1970633 ChemDiv1_000687 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P06 compound treatment 0.395 0.045 1.0 0.403 0.053 1.0 -1.0 -1.0 1569252 ChemDiv1_000688 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(cc3)C(C)(C)C)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P07 compound treatment 0.407 0.057 1.0 0.388 0.038 1.0 -1.0 -1.0 1554993 ChemDiv1_000689 COc1ccc2cc(C(=O)Nc3ccccc3)c(=Nc4cccc(C#N)c4)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P08 compound treatment 0.381 0.031 1.0 0.385 0.035 1.0 -1.0 -1.0 1970634 ChemDiv1_000690 CCCCCCCn1c(SC(C)C)nc2n(C)c(=O)[nH]c(=O)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P09 compound treatment 0.483 0.133 1.0 0.539 0.189 1.0 -1.0 -1.0 1970635 ChemDiv1_000691 OC(=O)C1Cc2c([nH]c3ccccc23)C(CCc4ccccc4)N1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P10 compound treatment 0.447 0.097 1.0 0.509 0.159 1.0 -1.0 -1.0 1570528 ChemDiv1_000692 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P11 compound treatment 0.383 0.033 1.0 0.386 0.036 1.0 -1.0 -1.0 1970636 ChemDiv1_000693 CCOC(=O)c1[nH]c2c(cc(OCC)cc2c1CCN3C(=O)c4ccccc4C3=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P12 compound treatment 0.42 0.07 1.0 0.42 0.07 1.0 -1.0 -1.0 1970637 ChemDiv1_000694 Cc1nc2cc(NC(=O)c3cccc(c3)[N+](=O)[O-])ccc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P13 compound treatment 0.362 0.012 1.0 0.373 0.023 1.0 -1.0 -1.0 1970638 ChemDiv1_000695 CCOC(=O)CSc1nc(cc(c1C#N)c2ccc(OC)cc2)C3CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P14 compound treatment 0.397 0.047 1.0 0.409 0.059 1.0 -1.0 -1.0 1920314 ChemDiv1_000696 O=C1C2C(C3C=CC2C4C3C(=O)N(C4=O)c5nccs5)C(=O)N1c6nccs6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P15 compound treatment 0.397 0.047 1.0 0.384 0.034 1.0 -1.0 -1.0 1970639 ChemDiv1_000697 COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P16 compound treatment 0.963 0.613 1.0 0.952 0.602 1.0 -1.0 -1.0 1970640 ChemDiv1_000698 OC(=O)CCN1C(=O)/C(=C/c2ccco2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P17 compound treatment 0.423 0.073 1.0 0.428 0.078 1.0 -1.0 -1.0 1970641 ChemDiv1_000699 COc1cc(/C=C\2/SC(=N)NC2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P18 compound treatment 0.395 0.045 1.0 0.395 0.045 1.0 -1.0 -1.0 1173157 ChemDiv1_000700 COc1ccc(Nc2nc3nonc3nc2Nc4ccc(OC)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P19 compound treatment 0.392 0.042 1.0 0.392 0.042 1.0 -1.0 -1.0 1543091 ChemDiv1_000701 OC(=O)CSc1nc2ccccc2n1Cc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P20 compound treatment 0.435 0.085 1.0 0.42 0.07 1.0 -1.0 -1.0 1938171 ChemDiv1_000702 OC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2Cl)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P21 compound treatment 0.377 0.027 1.0 0.378 0.028 1.0 -1.0 -1.0 1206041 ChemDiv1_000703 CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P22 compound treatment 0.372 0.022 1.0 0.367 0.017 1.0 -1.0 -1.0 1970642 ChemDiv1_000704 CCOc1ccc(/C=C\2/SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.588 P24 positive control 0.098 -0.252 -1.0 0.098 -0.252 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A01 compound treatment 0.367 0.017 1.0 0.369 0.019 1.0 -1.0 -1.0 1527400 ChemDiv1_000705 Nc1nc(F)cc(NCCO)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A02 compound treatment 0.367 0.017 1.0 0.354 0.004 1.0 -1.0 -1.0 1970643 ChemDiv1_000706 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A03 compound treatment 0.342 -0.008 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1257973 ChemDiv1_000707 COc1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A04 compound treatment 0.361 0.011 1.0 0.353 0.003 1.0 -1.0 -1.0 1970644 ChemDiv1_000708 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A05 compound treatment 0.364 0.014 1.0 0.36 0.01 1.0 -1.0 -1.0 1970645 ChemDiv1_000709 CCOc1cc(/C=C/2\SC(=O)NC2=O)ccc1OC(=O)c3cccc(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A06 compound treatment 0.35 0.0 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1296281 ChemDiv1_000710 CN1C(=C(C(NC1=O)c2ccc(OCc3ccccc3)cc2)C(=O)OCc4ccccc4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A07 compound treatment 0.339 -0.011 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1305273 ChemDiv1_000711 COc1ccc(cc1Br)C2SCCN2C(=O)c3cc4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A08 compound treatment 0.363 0.013 1.0 0.356 0.006 1.0 -1.0 -1.0 1970646 ChemDiv1_000712 CC(=O)N1N=C(CC1c2ccc(F)cc2)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A09 compound treatment 0.391 0.041 1.0 0.384 0.034 1.0 -1.0 -1.0 1922370 ChemDiv1_000713 CSCCC(N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)/SC1=S)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A10 compound treatment 0.352 0.002 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1725553 ChemDiv1_000714 CCc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A11 compound treatment 0.35 0.0 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1779922 ChemDiv1_000715 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A12 compound treatment 0.327 -0.023 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1970647 ChemDiv1_000716 COc1ccc(OCCSc2nc3ccc(Br)cc3[nH]2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A13 compound treatment 0.346 -0.004 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1970648 ChemDiv1_000717 Brc1ccc(cc1)c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A14 compound treatment 0.389 0.039 1.0 0.37 0.02 1.0 -1.0 -1.0 1970649 ChemDiv1_000718 CSCCC(N1C(=O)/C(=C\2/C(=O)Nc3ccc(Br)cc23)/SC1=S)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A15 compound treatment 0.351 0.001 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1675577 ChemDiv1_000719 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A16 compound treatment 0.48 0.13 1.0 0.464 0.114 1.0 -1.0 -1.0 1970650 ChemDiv1_000720 CN(C)c1ccc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A17 compound treatment 0.336 -0.014 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1970651 ChemDiv1_000721 CCCCCOC(=O)C1=C(C)NC(=O)NC1c2ccc(OC)c(Br)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A18 compound treatment 0.35 0.0 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1947850 ChemDiv1_000722 Cc1c(NC(=O)CCN2C(=O)S/C(=C\c3ccc(Cl)cc3)/C2=O)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A19 compound treatment 0.339 -0.011 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1217441 ChemDiv1_000723 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OC4CCCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A20 compound treatment 0.347 -0.003 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1970652 ChemDiv1_000724 CN(C)c1ccc(/C=C\2/SC(=S)N(CCCCC(N3C(=O)/C(=C\c4ccc(cc4)N(C)C)/SC3=S)C(=O)O)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A21 compound treatment 0.339 -0.011 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1970653 ChemDiv1_000725 CCCOc1ccccc1C2NC(=O)NC(=C2C(=O)OCCCBr)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A22 compound treatment 0.415 0.065 1.0 0.414 0.064 1.0 -1.0 -1.0 1970654 ChemDiv1_000726 COc1cccc(/C=C\2/SC(=S)N(C(C)C(=O)O)C2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 A24 positive control 0.08 -0.27 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B01 compound treatment 0.44 0.09 1.0 0.417 0.067 1.0 -1.0 -1.0 1970655 ChemDiv1_000727 CCOc1cc(/C=C/2\SC(=S)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B02 compound treatment 0.347 -0.003 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970656 ChemDiv1_000728 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)N3CCCCC3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B03 compound treatment 0.352 0.002 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1311275 ChemDiv1_000729 COc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B04 compound treatment 0.344 -0.006 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1778071 ChemDiv1_000730 [O-][N+](=O)c1cc(NC(=O)c2sc3ccccc3c2Cl)cc(Oc4ccc(F)cc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B05 compound treatment 0.328 -0.022 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1970657 ChemDiv1_000731 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B06 compound treatment 0.324 -0.026 -1.0 0.298 -0.052 -1.0 -1.0 -1.0 1343325 ChemDiv1_000732 CCOC(=O)c1c(CSc2ccccc2)n(C)c3cc(Br)c(O)c(CN(C)C)c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B07 compound treatment 0.353 0.003 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1709286 ChemDiv1_000733 Nc1nnc(s1)c2cc3cc(Cl)cc(Cl)c3oc2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B08 compound treatment 0.342 -0.008 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1923415 ChemDiv1_000734 Brc1ccc(OCc2ccccc2)c(/C=C/3\SC(=N)NC3=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B09 compound treatment 0.343 -0.007 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1163744 ChemDiv1_000735 CCn1c(=O)c(C(=O)Nc2ccc(I)cc2)c(O)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B10 compound treatment 0.341 -0.009 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1169638 ChemDiv1_000736 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccccc4OCc5ccc(Cl)cc5Cl)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B11 compound treatment 0.324 -0.026 -1.0 0.307 -0.043 -1.0 -1.0 -1.0 1970658 ChemDiv1_000737 CN1C(=C(C(NC1=O)c2ccc(Cl)c(Cl)c2)C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B12 compound treatment 0.342 -0.008 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970659 ChemDiv1_000738 Brc1ccc2oc(=N)c(cc2c1)c3nc(cs3)c4cc5ccccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B13 compound treatment 0.351 0.001 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1436119 ChemDiv1_000739 CN(C)c1nc(nc(n1)N2CCOCC2)N(c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B14 compound treatment 0.353 0.003 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1778492 ChemDiv1_000740 CCOC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6cccc(c6)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B15 compound treatment 0.331 -0.019 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1921986 ChemDiv1_000741 Clc1nc(Nc2cccc3ccccc23)nc(n1)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B16 compound treatment 0.337 -0.013 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1476886 ChemDiv1_000742 COC(=O)C1=C(N)OC2=C(C1c3ccc(Cl)cc3Cl)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B17 compound treatment 0.349 -0.001 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1590137 ChemDiv1_000743 COc1ccc(cc1OC)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B18 compound treatment 0.351 0.001 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1970660 ChemDiv1_000744 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2cccs2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B19 compound treatment 0.336 -0.014 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1777481 ChemDiv1_000745 [O-][N+](=O)c1ncn(CC(=O)Nc2ccc(Cl)cc2Cl)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B20 compound treatment 0.344 -0.006 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1583954 ChemDiv1_000746 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(Cl)cc3)c(SCc4cccc(Br)c4)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B21 compound treatment 0.349 -0.001 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970661 ChemDiv1_000747 COCCNC(=O)c1nn2c(cc(nc2c1Br)c3ccccc3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B22 compound treatment 0.334 -0.016 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1970662 ChemDiv1_000748 CCOC(=O)C1=C(N)OC2=C(C1c3cccc(Cl)c3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 B24 positive control 0.078 -0.272 -1.0 0.078 -0.272 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C01 compound treatment 0.369 0.019 1.0 0.369 0.019 1.0 -1.0 -1.0 1164460 ChemDiv1_000749 Cc1cc(nc(N)n1)N2CCCCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C02 compound treatment 0.355 0.005 1.0 0.35 0.0 -1.0 -1.0 -1.0 1271835 ChemDiv1_000750 CC1=C(C(NC(=O)N1)c2ccc(Br)cc2)C(=O)OCCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C03 compound treatment 0.351 0.001 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1782261 ChemDiv1_000751 CCN(CC)c1ccc2cc(c3nnc(o3)c4ccc(cc4)[N+](=O)[O-])c(=O)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C04 compound treatment 0.343 -0.007 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1536907 ChemDiv1_000752 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OC4CCCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C05 compound treatment 0.343 -0.007 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1938148 ChemDiv1_000753 Brc1cc2OCOc2cc1/C=C/3\SC(=O)N(C3=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C06 compound treatment 0.331 -0.019 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1970663 ChemDiv1_000754 CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OCc3ccccc3)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C07 compound treatment 0.344 -0.006 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1548032 ChemDiv1_000755 Brc1ccc2oc(=O)c(cc2c1)C(=O)N3CCSC3c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C08 compound treatment 0.373 0.023 1.0 0.363 0.013 1.0 -1.0 -1.0 1970664 ChemDiv1_000756 CCC(=O)N1N=C(CC1c2ccc(OC)cc2)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C09 compound treatment 0.368 0.018 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1970665 ChemDiv1_000757 O=C(CCN1C(=O)/C(=C/c2ccccc2)/SC1=S)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C10 compound treatment 0.347 -0.003 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1970666 ChemDiv1_000758 Cc1ccccc1C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C11 compound treatment 0.253 -0.097 -1.0 0.233 -0.117 -1.0 -1.0 -1.0 1970667 ChemDiv1_000759 FC(F)(F)c1cccc(c1)c2ccc(/C=C\3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C12 compound treatment 0.33 -0.02 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1250948 ChemDiv1_000760 Brc1ccc2nc(SCc3nc4ccccc4[nH]3)[nH]c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C13 compound treatment 0.348 -0.002 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1592369 ChemDiv1_000761 CCOC(=O)c1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C14 compound treatment 0.349 -0.001 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1970668 ChemDiv1_000762 COc1ccc(/C=C/2\SC(=S)N(CCC(=O)N3c4ccccc4Sc5ccccc35)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C15 compound treatment 0.399 0.049 1.0 0.382 0.032 1.0 -1.0 -1.0 1970669 ChemDiv1_000763 Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3cc(Cl)c4nonc4c3[N+](=O)[O-])cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C16 compound treatment 0.345 -0.005 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1628287 ChemDiv1_000764 Cc1ccc2sc(nc2c1)c3ccc(NC(=O)CCN4C(=O)c5ccccc5C4=O)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C17 compound treatment 0.329 -0.021 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1970670 ChemDiv1_000765 COc1ccc(cc1Br)C2NC(=O)NC(=C2C(=O)OCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C18 compound treatment 0.371 0.021 1.0 0.361 0.011 1.0 -1.0 -1.0 1951779 ChemDiv1_000766 COc1ccc(/C=C/2\SC(=O)N(CCC(=O)N3CCOCC3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C19 compound treatment 0.349 -0.001 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1380491 ChemDiv1_000767 CCOc1ccccc1c2c(C#N)c(N)nc(OC)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C20 compound treatment 1.073 0.723 1.0 1.04 0.69 1.0 -1.0 -1.0 1913445 ChemDiv1_000768 COc1ccc(/C=C/2\SC(=S)N(C(CC(=O)O)C(=O)O)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C21 compound treatment 0.338 -0.012 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970671 ChemDiv1_000769 COc1ccc(OC)c(c1)C2NC(=O)NC(=C2C(=O)OC(C(F)(F)F)C(F)(F)F)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C22 compound treatment 0.691 0.341 1.0 0.672 0.322 1.0 -1.0 -1.0 1936086 ChemDiv1_000770 COc1ccccc1/C=C/2\SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 C24 positive control 0.08 -0.27 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D01 compound treatment 0.362 0.012 1.0 0.357 0.007 1.0 -1.0 -1.0 1970672 ChemDiv1_000771 Fc1ccc(/C=C/2\SC(=O)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D02 compound treatment 0.355 0.005 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1970673 ChemDiv1_000772 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCc3cccnc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D03 compound treatment 0.329 -0.021 -1.0 0.3 -0.05 -1.0 -1.0 -1.0 1970674 ChemDiv1_000773 CCOC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D04 compound treatment 0.355 0.005 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1778073 ChemDiv1_000774 Fc1ccc(Oc2cc(NC(=O)c3sc4ccccc4c3Cl)cc(Oc5ccc(F)cc5)c2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D05 compound treatment 0.367 0.017 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970675 ChemDiv1_000775 O=C1/C(=C/c2c[nH]c3ccccc23)/Sc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D06 compound treatment 0.327 -0.023 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1970676 ChemDiv1_000776 CCCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)Nc3nc4ccccc4n3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D07 compound treatment 0.363 0.013 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1283019 ChemDiv1_000777 COc1ccc2oc(=Nc3sc4CCCCc4c3C(=O)N)c(cc2c1)C(=O)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D08 compound treatment 0.342 -0.008 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1779827 ChemDiv1_000778 COc1ccc(cc1c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D09 compound treatment 0.339 -0.011 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1706745 ChemDiv1_000779 Oc1c(C(=O)Nc2ccc(I)cc2)c(=O)n(CC=C)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D10 compound treatment 0.345 -0.005 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1549552 ChemDiv1_000780 COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1OCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D11 compound treatment 0.335 -0.015 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1537680 ChemDiv1_000781 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D12 compound treatment 0.352 0.002 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970677 ChemDiv1_000782 [O-][N+](=O)c1ccc(cc1)c2nnc(o2)c3cc4cc(Cl)cc(Cl)c4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D13 compound treatment 0.338 -0.012 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1251544 ChemDiv1_000783 Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D14 compound treatment 0.339 -0.011 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1970678 ChemDiv1_000784 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3ccc4C(=O)c5ccccc5C(=O)c4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D15 compound treatment 0.331 -0.019 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1970679 ChemDiv1_000785 [O-][N+](=O)c1ccccc1Nc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D16 compound treatment 0.341 -0.009 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1970680 ChemDiv1_000786 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2OC)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D17 compound treatment 0.327 -0.023 -1.0 0.307 -0.043 -1.0 -1.0 -1.0 1776189 ChemDiv1_000787 Cc1c(Cl)c(nn1CC(=O)Nc2cc(Oc3ccccc3)cc(Oc4cccnc4)c2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D18 compound treatment 0.315 -0.035 -1.0 0.299 -0.051 -1.0 -1.0 -1.0 1970681 ChemDiv1_000788 CCOC(=O)CSc1nc(cc(c1C#N)c2ccc(Cl)cc2)C3CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D19 compound treatment 0.327 -0.023 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1777484 ChemDiv1_000789 COc1cc(NC(=O)Cn2cnc(n2)[N+](=O)[O-])cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D20 compound treatment 0.324 -0.026 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1544715 ChemDiv1_000790 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccccc3)c(SCc4cccc(Br)c4)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D21 compound treatment 0.332 -0.018 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1970682 ChemDiv1_000791 Cc1c(Br)c(nn1CC(=O)Nc2cc(ccc2Cl)C(F)(F)F)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D22 compound treatment 0.323 -0.027 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1232973 ChemDiv1_000792 CCOC(=O)C1=C(N)Oc2c(C1c3cccc(Cl)c3)c(=O)oc4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 D24 positive control 0.081 -0.269 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E01 compound treatment 0.378 0.028 1.0 0.362 0.012 1.0 -1.0 -1.0 1702207 ChemDiv1_000793 CN(C)c1ccc(cc1)c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E02 compound treatment 0.4 0.05 1.0 0.38 0.03 1.0 -1.0 -1.0 1689717 ChemDiv1_000794 COC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E03 compound treatment 0.358 0.008 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970683 ChemDiv1_000795 Clc1cc(Cl)c2oc(=O)c(cc2c1)c3nnc(o3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E04 compound treatment 0.348 -0.002 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1313645 ChemDiv1_000796 COc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E05 compound treatment 0.394 0.044 1.0 0.374 0.024 1.0 -1.0 -1.0 1970684 ChemDiv1_000797 COc1ccc(/C=C\2/S/C(=N\c3ccccc3)/NC2=O)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E06 compound treatment 0.328 -0.022 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1970685 ChemDiv1_000798 CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc(Br)c(O)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E07 compound treatment 0.344 -0.006 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1697217 ChemDiv1_000799 COc1ccc(cc1)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E08 compound treatment 0.345 -0.005 -1.0 0.357 0.007 1.0 -1.0 -1.0 1970686 ChemDiv1_000800 COc1ccc(cc1)C(=O)N2N=C(CC2c3ccco3)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E09 compound treatment 0.36 0.01 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970687 ChemDiv1_000801 NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E10 compound treatment 0.354 0.004 1.0 0.331 -0.019 -1.0 -1.0 -1.0 1613055 ChemDiv1_000802 Cc1ccccc1C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E11 compound treatment 0.357 0.007 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1970688 ChemDiv1_000803 Clc1ccc(cc1)c2nn(cc2/C=C/3\SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E12 compound treatment 0.33 -0.02 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1258438 ChemDiv1_000804 NC(=O)CSc1nc2ccccc2n1CCOc3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E13 compound treatment 0.326 -0.024 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1281118 ChemDiv1_000805 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E14 compound treatment 0.458 0.108 1.0 0.43 0.08 1.0 -1.0 -1.0 1916887 ChemDiv1_000806 CC(C)C(N1C(=O)/C(=C\2/C(=O)Nc3ccc(Br)cc23)/SC1=S)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E15 compound treatment 0.342 -0.008 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970689 ChemDiv1_000807 CCCCOc1cccc(N/C=C(/C#N)\c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E16 compound treatment 0.346 -0.004 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970690 ChemDiv1_000808 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)Nc3ccccc3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E17 compound treatment 0.337 -0.013 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1970691 ChemDiv1_000809 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCCCCCl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E18 compound treatment 0.329 -0.021 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1947473 ChemDiv1_000810 COc1ccc(/C=C/2\SC(=O)N(CCC(=O)N3CCCCC3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E19 compound treatment 0.316 -0.034 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1604364 ChemDiv1_000811 CCN(CC)c1ccc(cc1)c2c(C#N)c(N)nc(OC)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E20 compound treatment 0.531 0.181 1.0 0.521 0.171 1.0 -1.0 -1.0 1970692 ChemDiv1_000812 OC(=O)CC(N1C(=O)/C(=C/c2ccc(Cl)cc2)/SC1=S)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E21 compound treatment 0.306 -0.044 -1.0 0.3 -0.05 -1.0 -1.0 -1.0 1476587 ChemDiv1_000813 CC1CCCC1OC(=O)C2=C(C)NC(=O)NC2c3ccccc3OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E22 compound treatment 0.362 0.012 1.0 0.362 0.012 1.0 -1.0 -1.0 1970693 ChemDiv1_000814 CCOc1cc(/C=C/2\SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 E24 positive control 0.083 -0.267 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F01 compound treatment 0.396 0.046 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1970694 ChemDiv1_000815 O=C1N/C(=N\c2ccccc2)/SC1Cc3cccc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F02 compound treatment 0.348 -0.002 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1970695 ChemDiv1_000816 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)N3CCCC3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F03 compound treatment 0.342 -0.008 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1970696 ChemDiv1_000817 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3ccc(cc3Cl)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F04 compound treatment 0.345 -0.005 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1404493 ChemDiv1_000818 COc1ccc2[nH]c(SCC(=O)c3ccc(Cl)c(Cl)c3)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F05 compound treatment 0.359 0.009 1.0 0.356 0.006 1.0 -1.0 -1.0 1970697 ChemDiv1_000819 Brc1ccc(cc1)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F06 compound treatment 0.378 0.028 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1255110 ChemDiv1_000820 COc1ccc(CCN2C(SCC2=O)c3ccc(Cl)c(Cl)c3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F07 compound treatment 0.358 0.008 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1421513 ChemDiv1_000821 COc1cccc2cc(C(=O)N)c(=Nc3sc4CCCCc4c3C(=O)N)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F08 compound treatment 0.356 0.006 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970698 ChemDiv1_000822 [O-][N+](=O)c1cc(ccc1Cl)c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F09 compound treatment 0.332 -0.018 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1411442 ChemDiv1_000823 CN1C(=C(C(NC1=O)c2cc3OCOc3cc2Br)C(=O)OCCc4ccccc4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F10 compound treatment 0.346 -0.004 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1577996 ChemDiv1_000824 COc1cccc(c1)C(=O)Nc2ccc3oc(nc3c2)c4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F11 compound treatment 0.324 -0.026 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1970699 ChemDiv1_000825 COc1cc(cc(Cl)c1O)C2NC(=O)N(C)C(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F12 compound treatment 0.339 -0.011 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1173672 ChemDiv1_000826 COc1nc(Nc2ccc(Cl)cc2)nc(n1)N3CCCCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F13 compound treatment 0.334 -0.016 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1921820 ChemDiv1_000827 CCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(n1)N2CCNCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F14 compound treatment 0.326 -0.024 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1970700 ChemDiv1_000828 CC(=O)N1N=C(CC1c2ccc(Br)cc2)c3cccs3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F15 compound treatment 0.308 -0.042 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1925261 ChemDiv1_000829 [O-][N+](=O)c1ccc(Nc2nc(OCC(F)(F)C(F)F)nc(OCC(F)(F)C(F)F)n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F16 compound treatment 0.32 -0.03 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1508293 ChemDiv1_000830 CCOC(=O)C1=C(N)OC2=C(C1c3ccccc3F)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F17 compound treatment 0.311 -0.039 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1970701 ChemDiv1_000831 Cc1c(Cl)c(nn1CC(=O)Nc2cc(Oc3cccnc3)cc(c2)[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F18 compound treatment 0.325 -0.025 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1457816 ChemDiv1_000832 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2c(Cl)cccc2Cl)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F19 compound treatment 0.308 -0.042 -1.0 0.304 -0.046 -1.0 -1.0 -1.0 1970702 ChemDiv1_000833 [O-][N+](=O)c1ncn(CC(=O)Nc2cc(Oc3cccc(c3)C(F)(F)F)cc(c2)[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F20 compound treatment 0.304 -0.046 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1569159 ChemDiv1_000834 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3cccc4ccccc34)c(NCc5ccccc5)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F21 compound treatment 0.327 -0.023 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1970703 ChemDiv1_000835 COc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(OC)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F22 compound treatment 0.335 -0.015 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1450176 ChemDiv1_000836 CCOC(=O)C1=C(N)OC2=C(C1c3c(Cl)cccc3Cl)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 F24 positive control 0.083 -0.267 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G01 compound treatment 0.372 0.022 1.0 0.372 0.022 1.0 -1.0 -1.0 1970704 ChemDiv1_000837 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccc3oc(nc3c2)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G02 compound treatment 0.349 -0.001 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1719147 ChemDiv1_000838 CC1=C(C(NC(=O)N1)c2ccc(Br)cc2)C(=O)OC3CCCCCCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G03 compound treatment 0.354 0.004 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970705 ChemDiv1_000839 Brc1ccccc1c2nnc(o2)c3cc4c(ccc5ccccc54)oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G04 compound treatment 0.394 0.044 1.0 0.383 0.033 1.0 -1.0 -1.0 1970706 ChemDiv1_000840 COCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G05 compound treatment 0.514 0.164 1.0 0.51 0.16 1.0 -1.0 -1.0 1970707 ChemDiv1_000841 COc1cc(/C=C\2/SC(=O)N(C2=O)c3ccccc3)cc(Br)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G06 compound treatment 0.341 -0.009 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1242266 ChemDiv1_000842 CN1C(=C(C(NC1=O)c2ccccc2OCc3ccccc3)C(=O)OC4CCCC4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G07 compound treatment 0.343 -0.007 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1405775 ChemDiv1_000843 Clc1ccc(cc1)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G08 compound treatment 0.35 0.0 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1130253 ChemDiv1_000844 OC(CN1C(=O)c2ccccc2S1(=O)=O)Cn3c4ccc(Br)cc4c5cc(Br)ccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G09 compound treatment 0.394 0.044 1.0 0.354 0.004 1.0 -1.0 -1.0 1970708 ChemDiv1_000845 COc1ccc(/C=C\2/SC(=O)N(CC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nc(C)cc(C)n4)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G10 compound treatment 0.354 0.004 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1188854 ChemDiv1_000846 COc1ccc(OC)c(c1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G11 compound treatment 0.342 -0.008 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1430380 ChemDiv1_000847 CCOC(=O)c1sc(=S)n(CC=C)c1N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G12 compound treatment 0.352 0.002 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1917513 ChemDiv1_000848 Cc1c(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)/SC2=S)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G13 compound treatment 0.393 0.043 1.0 0.398 0.048 1.0 -1.0 -1.0 1669806 ChemDiv1_000849 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4OCOc4c3)c(=O)n2C1c5ccc(OC(=O)C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G14 compound treatment 0.515 0.165 1.0 0.512 0.162 1.0 -1.0 -1.0 1931674 ChemDiv1_000850 CC(N1C(=O)/C(=C/c2ccccc2)/SC1=S)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G15 compound treatment 0.316 -0.034 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1970709 ChemDiv1_000851 COc1ccc(C2NC(=O)NC(=C2C(=O)OCCSc3ccccc3)C)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G16 compound treatment 0.37 0.02 1.0 0.366 0.016 1.0 -1.0 -1.0 1970710 ChemDiv1_000852 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G17 compound treatment 0.32 -0.03 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1178722 ChemDiv1_000853 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G18 compound treatment 0.328 -0.022 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1970711 ChemDiv1_000854 CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(OC)cc3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G19 compound treatment 0.32 -0.03 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1970712 ChemDiv1_000855 CC1=C(C(NC(=O)N1)c2ccccc2Br)C(=O)OCC(F)(F)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G20 compound treatment 0.34 -0.01 -1.0 0.362 0.012 1.0 -1.0 -1.0 1970713 ChemDiv1_000856 CN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G21 compound treatment 0.311 -0.039 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1146354 ChemDiv1_000857 CC1CCCC1OC(=O)C2=C(C)NC(=O)NC2c3cc4OCOc4cc3Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G22 compound treatment 0.611 0.261 1.0 0.537 0.187 1.0 -1.0 -1.0 1937739 ChemDiv1_000858 Cc1ccc(/C=C/2\SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 G24 positive control 0.086 -0.264 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H01 compound treatment 0.398 0.048 1.0 0.391 0.041 1.0 -1.0 -1.0 1970714 ChemDiv1_000859 Clc1ccc(/N=C/2\NC(=O)C(Cc3cccc4ccccc34)S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H02 compound treatment 0.377 0.027 1.0 0.38 0.03 1.0 -1.0 -1.0 1939227 ChemDiv1_000860 [O-][N+](=O)c1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4)cc(Oc5cccnc5)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H03 compound treatment 0.34 -0.01 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1970715 ChemDiv1_000861 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H04 compound treatment 0.331 -0.019 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1615499 ChemDiv1_000862 CN1C(=C(C(NC1=O)c2ccc(Cl)c(Cl)c2)C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H05 compound treatment 0.359 0.009 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1970716 ChemDiv1_000863 Brc1ccc2oc(=O)c(cc2c1)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H06 compound treatment 0.363 0.013 1.0 0.352 0.002 1.0 -1.0 -1.0 1780348 ChemDiv1_000864 COc1ccc(CCN2C(SCC2=O)c3ccccc3[N+](=O)[O-])cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H07 compound treatment 0.362 0.012 1.0 0.351 0.001 1.0 -1.0 -1.0 1403092 ChemDiv1_000865 CCOc1cccc2cc(C(=O)N)c(=Nc3sc4CCCCc4c3C(=O)N)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H08 compound treatment 0.348 -0.002 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1375710 ChemDiv1_000866 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(o4)c5cccc(Cl)c5)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H09 compound treatment 0.333 -0.017 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1970717 ChemDiv1_000867 CN1C(=C(C(NC1=O)c2ccc(cc2)[N+](=O)[O-])C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H10 compound treatment 0.328 -0.022 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1970718 ChemDiv1_000868 [O-][N+](=O)c1ccc(C(=O)Nc2ccc3oc(nc3c2)c4cccc5ccccc45)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H11 compound treatment 0.345 -0.005 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1970719 ChemDiv1_000869 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OCc4ccccc4)c(OC)c3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H12 compound treatment 0.372 0.022 1.0 0.37 0.02 1.0 -1.0 -1.0 1920846 ChemDiv1_000870 CCN(CC)c1nc(Nc2ccc(cc2)[N+](=O)[O-])nc(n1)N(CC)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H13 compound treatment 0.329 -0.021 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1918685 ChemDiv1_000871 FC(F)(F)C(Oc1nc(NCC=C)nc(n1)N2CCOCC2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H14 compound treatment 0.339 -0.011 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1938791 ChemDiv1_000872 CCOC(=O)/C=C(\C)/N1N=C(CC1c2ccccc2[N+](=O)[O-])c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H15 compound treatment 0.361 0.011 1.0 0.362 0.012 1.0 -1.0 -1.0 1925255 ChemDiv1_000873 CNc1nc(Nc2ccc(cc2)[N+](=O)[O-])nc(OCC(F)(F)C(F)F)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H16 compound treatment 0.345 -0.005 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1501427 ChemDiv1_000874 Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H17 compound treatment 0.314 -0.036 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1776207 ChemDiv1_000875 Cc1cc(nn1CC(=O)Nc2cc(Oc3cccc(Cl)c3)cc(c2)[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H18 compound treatment 0.323 -0.027 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1970720 ChemDiv1_000876 C/C(=C\Cn1c(SCC=C)nc2n(C)c(=O)[nH]c(=O)c12)/Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H19 compound treatment 0.333 -0.017 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1970721 ChemDiv1_000877 COc1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccccc4)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H20 compound treatment 0.327 -0.023 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1778213 ChemDiv1_000878 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(cc3)[N+](=O)[O-])c(nc12)N4CCCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H21 compound treatment 0.334 -0.016 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1970722 ChemDiv1_000879 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCCCn3ccnc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H22 compound treatment 0.335 -0.015 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1936592 ChemDiv1_000880 CC1=C(C(NC(=O)N1)c2ccc(Cl)cc2Cl)C(=O)Nc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 H24 positive control 0.085 -0.265 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I01 compound treatment 0.379 0.029 1.0 0.376 0.026 1.0 -1.0 -1.0 1970723 ChemDiv1_000881 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccc3oc(nc3c2)c4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I02 compound treatment 0.344 -0.006 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970724 ChemDiv1_000882 CC1=C(C(NC(=O)N1)c2ccccc2Br)C(=O)OC3CCCCCCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I03 compound treatment 0.518 0.168 1.0 0.49 0.14 1.0 -1.0 -1.0 1970725 ChemDiv1_000883 CCCCCCc1cc2cc(c3nnc(o3)c4ccccc4)c(=O)oc2cc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I04 compound treatment 0.356 0.006 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970726 ChemDiv1_000884 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(cc3)[N+](=O)[O-])C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I05 compound treatment 0.352 0.002 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970727 ChemDiv1_000885 CSc1nc(NC(=O)C)n[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I06 compound treatment 0.369 0.019 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1940101 ChemDiv1_000886 CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OCc3ccccc3)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I07 compound treatment 0.349 -0.001 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1970728 ChemDiv1_000887 [O-][N+](=O)c1cccc(c1)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I08 compound treatment 0.343 -0.007 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1425833 ChemDiv1_000888 O=C1Nc2ccccc2C31NC(=O)NC(=O)N3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I09 compound treatment 0.331 -0.019 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1970729 ChemDiv1_000889 CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I10 compound treatment 0.354 0.004 1.0 0.353 0.003 1.0 -1.0 -1.0 1494744 ChemDiv1_000890 COc1cccc(C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I11 compound treatment 0.349 -0.001 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1118474 ChemDiv1_000891 Clc1ccc(cc1)C(=O)Nc2c(nc3ccc(Cl)cn23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I12 compound treatment 0.351 0.001 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1917628 ChemDiv1_000892 CCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I13 compound treatment 0.332 -0.018 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1488190 ChemDiv1_000893 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(cc3)N(C)C)c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I14 compound treatment 0.345 -0.005 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1630067 ChemDiv1_000894 OCC1OC(Oc2ccc3c(=O)c(coc3c2)c4ccc5OCCOc5c4)C(O)C(O)C1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I15 compound treatment 0.331 -0.019 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1970730 ChemDiv1_000895 COCCOC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I16 compound treatment 0.335 -0.015 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970731 ChemDiv1_000896 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I17 compound treatment 0.312 -0.038 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1574032 ChemDiv1_000897 CC1CCCC(C1)OC(=O)C2=C(C)NC(=O)NC2c3cc4OCOc4cc3Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I18 compound treatment 0.282 -0.068 -1.0 0.278 -0.072 -1.0 -1.0 -1.0 1970732 ChemDiv1_000898 CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(OC)cc3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I19 compound treatment 0.306 -0.044 -1.0 0.298 -0.052 -1.0 -1.0 -1.0 1970733 ChemDiv1_000899 CCCC(C)COC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I20 compound treatment 0.299 -0.051 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1970734 ChemDiv1_000900 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3cc(C)ccc3C(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I21 compound treatment 0.295 -0.055 -1.0 0.306 -0.044 -1.0 -1.0 -1.0 1191892 ChemDiv1_000901 CC1CCC(CC1C)OC(=O)C2=C(C)NC(=O)NC2c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I22 compound treatment 0.345 -0.005 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1937334 ChemDiv1_000902 COc1cccc(/C=C\2/SC(=S)N(CCC(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)C2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 I24 positive control 0.085 -0.265 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J01 compound treatment 0.413 0.063 1.0 0.42 0.07 1.0 -1.0 -1.0 1970735 ChemDiv1_000903 Brc1ccc(/N=C/2\NC(=O)C(Cc3cccc4ccccc34)S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J02 compound treatment 0.355 0.005 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1970736 ChemDiv1_000904 COc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4)c(OC)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J03 compound treatment 0.331 -0.019 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1970737 ChemDiv1_000905 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J04 compound treatment 0.356 0.006 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1970738 ChemDiv1_000906 COc1ccc(OC)c(c1)C2NC(=O)N(C)C(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J05 compound treatment 0.354 0.004 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1229622 ChemDiv1_000907 CCOc1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J06 compound treatment 0.383 0.033 1.0 0.363 0.013 1.0 -1.0 -1.0 1684233 ChemDiv1_000908 COc1ccc(CCN2C(SCC2=O)c3ccc(OC)c(OC)c3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J07 compound treatment 0.352 0.002 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1612031 ChemDiv1_000909 NC(=O)c1c(N=c2oc3ccc(Br)cc3cc2C(=O)N)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J08 compound treatment 0.318 -0.032 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1970739 ChemDiv1_000910 Brc1ccc(OCc2ccccc2)c(/C=C/3\Sc4ccccc4C3=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J09 compound treatment 0.359 0.009 1.0 0.358 0.008 1.0 -1.0 -1.0 1970740 ChemDiv1_000911 COC(=O)c1ccc(cc1)C2NC(=O)N(C)C(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J10 compound treatment 0.349 -0.001 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1276648 ChemDiv1_000912 CCc1ccc2oc(nc2c1)c3ccc(NC(=O)c4cccc5ccccc45)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J11 compound treatment 0.362 0.012 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970741 ChemDiv1_000913 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OCc4ccccc4)c(OC)c3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J12 compound treatment 0.359 0.009 1.0 0.365 0.015 1.0 -1.0 -1.0 1970742 ChemDiv1_000914 [O-][N+](=O)c1ccc(Nc2nc(nc(n2)N3CCOCC3)N4CCOCC4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J13 compound treatment 0.329 -0.021 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1970743 ChemDiv1_000915 FC(F)(F)C(Oc1nc(NCC=C)nc(n1)N2CCCCC2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J14 compound treatment 0.343 -0.007 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1235617 ChemDiv1_000916 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J15 compound treatment 0.275 -0.075 -1.0 0.287 -0.063 -1.0 -1.0 -1.0 1691985 ChemDiv1_000917 O=c1[nH]c2ccccc2nc1c3cc(c(s3)c4ccccc4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J16 compound treatment 0.332 -0.018 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1970744 ChemDiv1_000918 Cc1ccc(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J17 compound treatment 0.332 -0.018 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1970745 ChemDiv1_000919 CCOC(=O)c1sc(NC(=O)Cn2nc(cc2C)C(F)(F)F)c(C(=O)OCC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J18 compound treatment 0.338 -0.012 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970746 ChemDiv1_000920 C/C(=C\Cn1c(SCC(=O)N)nc2n(C)c(=O)[nH]c(=O)c12)/Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J19 compound treatment 0.375 0.025 1.0 0.375 0.025 1.0 -1.0 -1.0 1939457 ChemDiv1_000921 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCN3CCOCC3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J20 compound treatment 0.341 -0.009 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1466455 ChemDiv1_000922 COc1ccc(CCNc2nc3n(C)c(=O)[nH]c(=O)c3n2CC(O)COc4ccc(Cl)cc4)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J21 compound treatment 0.339 -0.011 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1970747 ChemDiv1_000923 [O-][N+](=O)c1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4cccs4)cc(Oc5cccnc5)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J22 compound treatment 0.327 -0.023 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1970748 ChemDiv1_000924 CC1=C(C(NC(=O)N1)c2ccc(Cl)cc2Cl)C(=O)Nc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 J24 positive control 0.085 -0.265 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K01 compound treatment 0.382 0.032 1.0 0.38 0.03 1.0 -1.0 -1.0 1472669 ChemDiv1_000925 O=c1oc2ccc3ccccc3c2cc1c4nnc(o4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K02 compound treatment 0.401 0.051 1.0 0.384 0.034 1.0 -1.0 -1.0 1938501 ChemDiv1_000926 CCN(CC)c1ccc(cc1)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K03 compound treatment 0.349 -0.001 -1.0 0.352 0.002 1.0 -1.0 -1.0 1319248 ChemDiv1_000927 Cc1cccc(c1)C(=O)NCCN2CCN(CC2)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K04 compound treatment 0.352 0.002 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1193080 ChemDiv1_000928 CCOC(=O)C1=C(N)OC2=C(C1c3ccc4OCOc4c3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K05 compound treatment 0.353 0.003 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1737822 ChemDiv1_000929 COc1ccc(Br)cc1C2SCCN2C(=O)c3cc4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K06 compound treatment 0.34 -0.01 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1227121 ChemDiv1_000930 CCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc3OCOc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K07 compound treatment 0.364 0.014 1.0 0.352 0.002 1.0 -1.0 -1.0 1397722 ChemDiv1_000931 COc1ccc(cc1OC)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K08 compound treatment 0.35 0.0 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1241695 ChemDiv1_000932 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3nc(NC(=O)C)sc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K09 compound treatment 0.329 -0.021 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970749 ChemDiv1_000933 CCOC(=O)COc1ccc2c(=O)c(c3ccc4OCCOc4c3)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K10 compound treatment 0.345 -0.005 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1690480 ChemDiv1_000934 Oc1cccc(c1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K11 compound treatment 0.349 -0.001 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1245216 ChemDiv1_000935 CCOC(=O)c1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K12 compound treatment 0.352 0.002 1.0 0.362 0.012 1.0 -1.0 -1.0 1970750 ChemDiv1_000936 Oc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)cc3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K13 compound treatment 0.324 -0.026 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1778372 ChemDiv1_000937 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(c3)[N+](=O)[O-])c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K14 compound treatment 0.35 0.0 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1559049 ChemDiv1_000938 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K15 compound treatment 0.321 -0.029 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1970751 ChemDiv1_000939 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCCSc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K16 compound treatment 0.355 0.005 1.0 0.36 0.01 1.0 -1.0 -1.0 1970752 ChemDiv1_000940 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)Nc3ccccc3C)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K17 compound treatment 0.318 -0.032 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1241175 ChemDiv1_000941 CC(C)COC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K18 compound treatment 0.29 -0.06 -1.0 0.29 -0.06 -1.0 -1.0 -1.0 1970753 ChemDiv1_000942 CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(Cl)cc3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K19 compound treatment 0.337 -0.013 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1201300 ChemDiv1_000943 CCOc1ccc(cc1)c2c(C#N)c(N)nc(OC)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K20 compound treatment 0.308 -0.042 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1970754 ChemDiv1_000944 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc3cc(C)c(Cl)c(C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K21 compound treatment 0.364 0.014 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1510506 ChemDiv1_000945 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc4OCOc4cc3Br)C(=O)OC5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K22 compound treatment 0.528 0.178 1.0 0.515 0.165 1.0 -1.0 -1.0 1937001 ChemDiv1_000946 COc1ccccc1C(=O)NN2C(=O)/C(=C\3/C(=O)N(CC(=O)O)c4ccccc34)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 K24 positive control 0.085 -0.265 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L01 compound treatment 0.418 0.068 1.0 0.398 0.048 1.0 -1.0 -1.0 1970755 ChemDiv1_000947 Clc1cccc(CC2S/C(=N/c3ccccc3)/NC2=O)c1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L02 compound treatment 0.338 -0.012 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1970756 ChemDiv1_000948 FC(F)(F)c1cccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L03 compound treatment 0.361 0.011 1.0 0.356 0.006 1.0 -1.0 -1.0 1613641 ChemDiv1_000949 CCC1CCCCN1C(=O)CCN2C(=O)c3ccccc3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L04 compound treatment 0.349 -0.001 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1970757 ChemDiv1_000950 CN1C(=C(C(NC1=O)c2ccc3OCOc3c2)C(=O)OCCOc4ccccc4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L05 compound treatment 0.362 0.012 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1487615 ChemDiv1_000951 CCN(CC)c1ccc2cc(C(=O)N)c(=Nc3ccc(Cl)cc3Cl)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L06 compound treatment 0.365 0.015 1.0 0.365 0.015 1.0 -1.0 -1.0 1970758 ChemDiv1_000952 CC(C)Oc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L07 compound treatment 0.395 0.045 1.0 0.393 0.043 1.0 -1.0 -1.0 1151416 ChemDiv1_000953 NC(=O)c1c(N=c2oc3ccc(Cl)cc3cc2C(=O)N)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L08 compound treatment 0.341 -0.009 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1671108 ChemDiv1_000954 COc1ccc(Nc2nc3nonc3nc2Nc4c(C)n(C)n(c5ccccc5)c4=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L09 compound treatment 0.346 -0.004 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970759 ChemDiv1_000955 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L10 compound treatment 0.36 0.01 1.0 0.352 0.002 1.0 -1.0 -1.0 1199638 ChemDiv1_000956 Clc1ccc(Cl)c2c3CCNC(=O)c3[nH]c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L11 compound treatment 0.362 0.012 1.0 0.354 0.004 1.0 -1.0 -1.0 1970760 ChemDiv1_000957 CCCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L12 compound treatment 0.349 -0.001 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1471109 ChemDiv1_000958 CCOC(=O)CNc1nc(Cl)nc(Nc2ccc(C)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L13 compound treatment 0.324 -0.026 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970761 ChemDiv1_000959 FC(F)(F)C(Oc1nc(nc(n1)N2CCOCC2)N3CCCCC3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L14 compound treatment 0.336 -0.014 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1970762 ChemDiv1_000960 CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc(Cl)c(O)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L15 compound treatment 0.355 0.005 1.0 0.351 0.001 1.0 -1.0 -1.0 1970763 ChemDiv1_000961 COc1ccc(C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L16 compound treatment 0.346 -0.004 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970764 ChemDiv1_000962 CCOC(=O)C1=C(N)OC2=C(C1c3cccc(Br)c3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L17 compound treatment 0.32 -0.03 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1970765 ChemDiv1_000963 Cc1c(Br)c(nn1CC(=O)Nc2cc(Oc3cccnc3)cc(c2)[N+](=O)[O-])C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L18 compound treatment 0.325 -0.025 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1475170 ChemDiv1_000964 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(Cl)cc3)c(SCC(=O)c4ccc(Cl)cc4)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L19 compound treatment 0.355 0.005 1.0 0.354 0.004 1.0 -1.0 -1.0 1970766 ChemDiv1_000965 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCc3cccnc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L20 compound treatment 0.314 -0.036 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1970767 ChemDiv1_000966 CCCCCCCn1c(SC/C=C(\C)/Cl)nc2n(C)c(=O)[nH]c(=O)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L21 compound treatment 0.333 -0.017 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1939342 ChemDiv1_000967 COC(=O)c1ccccc1NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L22 compound treatment 0.326 -0.024 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1554388 ChemDiv1_000968 COc1cc(cc(Cl)c1O)C2NC(=O)N(C)C(=C2C(=O)OCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 L24 positive control 0.086 -0.264 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M01 compound treatment 0.376 0.026 1.0 0.369 0.019 1.0 -1.0 -1.0 1436274 ChemDiv1_000969 CCN(CC)c1ccc2cc(c3nnc(o3)c4ccccc4)c(=O)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M02 compound treatment 0.373 0.023 1.0 0.365 0.015 1.0 -1.0 -1.0 1620054 ChemDiv1_000970 COc1ccc(cc1Br)C2NC(=O)NC(=C2C(=O)OC3CCCC(C)C3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M03 compound treatment 0.338 -0.012 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1939428 ChemDiv1_000971 COc1ccccc1OCCSc2nc3ccc(Br)cc3[nH]2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M04 compound treatment 0.378 0.028 1.0 0.368 0.018 1.0 -1.0 -1.0 1381928 ChemDiv1_000972 CCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc(Br)c(O)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M05 compound treatment 0.426 0.076 1.0 0.424 0.074 1.0 -1.0 -1.0 1970768 ChemDiv1_000973 COc1ccc(cc1[N+](=O)[O-])C2SCCN2C(=O)c3cc4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M06 compound treatment 0.344 -0.006 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970769 ChemDiv1_000974 CCCCOc1ccccc1C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M07 compound treatment 0.365 0.015 1.0 0.358 0.008 1.0 -1.0 -1.0 1970770 ChemDiv1_000975 Cc1cccc(CC2S/C(=N/c3ccc(Cl)cc3)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M08 compound treatment 0.376 0.026 1.0 0.374 0.024 1.0 -1.0 -1.0 1501214 ChemDiv1_000976 COc1cc(ccc1OCc2ccccc2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M09 compound treatment 0.421 0.071 1.0 0.42 0.07 1.0 -1.0 -1.0 1672123 ChemDiv1_000977 CCOC(=O)C(C)Oc1cc(OC(C)C(=O)OCC)c2c(=O)cc(oc2c1)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M10 compound treatment 0.608 0.258 1.0 0.599 0.249 1.0 -1.0 -1.0 1970771 ChemDiv1_000978 OC(=O)CN1C(=O)/C(=C/c2ccc(C=O)cc2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M11 compound treatment 0.365 0.015 1.0 0.36 0.01 1.0 -1.0 -1.0 1970772 ChemDiv1_000979 Clc1c(sc2cc(Cl)ccc12)C(=O)Nc3ccc(I)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M12 compound treatment 0.35 0.0 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1271157 ChemDiv1_000980 CC1N(C(Cc2c1[nH]c3ccccc23)C(=O)O)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M13 compound treatment 0.35 0.0 -1.0 0.353 0.003 1.0 -1.0 -1.0 1127726 ChemDiv1_000981 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OCC)c3)c(=O)n2C1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M14 compound treatment 0.366 0.016 1.0 0.362 0.012 1.0 -1.0 -1.0 1970773 ChemDiv1_000982 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCCCCN3C(=O)c4ccccc4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M15 compound treatment 0.317 -0.033 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1970774 ChemDiv1_000983 CC1=C(C(NC(=O)N1)c2ccc3OCOc3c2)C(=O)OCCSc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M16 compound treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1970775 ChemDiv1_000984 COc1ccc(/C=C\2/SC(=O)N(CCC(=O)Nc3ccccc3Br)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M17 compound treatment 0.349 -0.001 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1970776 ChemDiv1_000985 COc1ccc(OC)c(c1)C2NC(=O)NC(=C2C(=O)OCCCBr)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M18 compound treatment 0.361 0.011 1.0 0.35 0.0 -1.0 -1.0 -1.0 1970777 ChemDiv1_000986 COc1ccc(/C=C/2\SC(=O)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M19 compound treatment 0.331 -0.019 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1970778 ChemDiv1_000987 COc1ccc(OC)c(C2NC(=O)NC(=C2C(=O)OCCSc3ccccc3)C)c1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M20 compound treatment 0.358 0.008 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1511428 ChemDiv1_000988 CN(C1CCCCC1)C(=O)CCN2C(=O)c3ccccc3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M21 compound treatment 0.322 -0.028 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1589480 ChemDiv1_000989 CC1CCCC(C1)OC(=O)C2=C(C)NC(=O)NC2c3ccccc3OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M22 compound treatment 0.325 -0.025 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1970779 ChemDiv1_000990 COc1cc(/C=C/2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 M24 positive control 0.088 -0.262 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N01 compound treatment 0.563 0.213 1.0 0.524 0.174 1.0 -1.0 -1.0 1970780 ChemDiv1_000991 CCOc1cc(/C=C\2/SC(=S)N(C(CCC(=O)O)C(=O)O)C2=O)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N02 compound treatment 0.34 -0.01 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1970781 ChemDiv1_000992 FC(F)(F)c1ccccc1NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N03 compound treatment 0.346 -0.004 -1.0 0.359 0.009 1.0 -1.0 -1.0 1158793 ChemDiv1_000993 COC(=O)c1ccc(NC(=S)NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N04 compound treatment 0.389 0.039 1.0 0.363 0.013 1.0 -1.0 -1.0 1779438 ChemDiv1_000994 COc1cc(C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OC(C)C)c(cc1OC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N05 compound treatment 0.359 0.009 1.0 0.357 0.007 1.0 -1.0 -1.0 1462355 ChemDiv1_000995 NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N06 compound treatment 0.346 -0.004 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1970782 ChemDiv1_000996 OCCn1c(SCCOc2ccc(Cl)cc2)nc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N07 compound treatment 0.376 0.026 1.0 0.372 0.022 1.0 -1.0 -1.0 1970783 ChemDiv1_000997 Brc1ccc2oc(=O)c(cc2c1)c3csc(n3)c4cc5ccccc5oc4=N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N08 compound treatment 0.298 -0.052 -1.0 0.307 -0.043 -1.0 -1.0 -1.0 1970784 ChemDiv1_000998 Clc1cccc(c1)c2ccc(/C=C\3/Sc4ccccc4C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N09 compound treatment 0.336 -0.014 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1970785 ChemDiv1_000999 CN1C(=C(C(NC1=O)c2cc3OCOc3cc2Br)C(=O)OCCOc4ccccc4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N10 compound treatment 0.354 0.004 1.0 0.36 0.01 1.0 -1.0 -1.0 1673057 ChemDiv1_001000 Fc1ccc(Nc2nnc(s2)c3cc4cc(Cl)cc(Cl)c4oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N11 compound treatment 0.355 0.005 1.0 0.356 0.006 1.0 -1.0 -1.0 1592038 ChemDiv1_001001 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OC3CCCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N12 compound treatment 0.418 0.068 1.0 0.394 0.044 1.0 -1.0 -1.0 1702172 ChemDiv1_001002 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N13 compound treatment 0.347 -0.003 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1921016 ChemDiv1_001003 FC(F)(F)C(Oc1nc(NC2CCCCC2)nc(n1)N3CCOCC3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N14 compound treatment 0.334 -0.016 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970786 ChemDiv1_001004 CN1C(=C(C(NC1=O)c2ccc(OCc3ccccc3)cc2)C(=O)OCCOc4ccccc4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N15 compound treatment 0.35 0.0 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1138497 ChemDiv1_001005 Clc1ccc(C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N16 compound treatment 0.353 0.003 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970787 ChemDiv1_001006 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccncc2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N17 compound treatment 0.339 -0.011 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970788 ChemDiv1_001007 [O-][N+](=O)c1ncn(CC(=O)NCc2ccccc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N18 compound treatment 0.357 0.007 1.0 0.369 0.019 1.0 -1.0 -1.0 1778501 ChemDiv1_001008 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(Cl)cc3)c(SCC(=O)c4ccc(cc4)[N+](=O)[O-])nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N19 compound treatment 0.372 0.022 1.0 0.368 0.018 1.0 -1.0 -1.0 1970789 ChemDiv1_001009 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCCCN3CCOCC3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N20 compound treatment 0.364 0.014 1.0 0.363 0.013 1.0 -1.0 -1.0 1778218 ChemDiv1_001010 CCc1ccc(OCC(O)Cn2c(SCCC(=O)O)nc3n(C)c(=O)[nH]c(=O)c23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N21 compound treatment 0.356 0.006 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1970790 ChemDiv1_001011 COc1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4cccs4)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N22 compound treatment 0.396 0.046 1.0 0.353 0.003 1.0 -1.0 -1.0 1600335 ChemDiv1_001012 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc3OCOc3c2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 N24 positive control 0.085 -0.265 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O01 compound treatment 0.362 0.012 1.0 0.354 0.004 1.0 -1.0 -1.0 1970791 ChemDiv1_001013 COc1cccc2cc(c3nnc(o3)c4ccc(cc4)[N+](=O)[O-])c(=O)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O02 compound treatment 0.36 0.01 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1702986 ChemDiv1_001014 COc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OC4CCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O03 compound treatment 0.357 0.007 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970792 ChemDiv1_001015 CCc1ccc(OCCSc2nc3ccccc3n2CCC(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O04 compound treatment 0.389 0.039 1.0 0.373 0.023 1.0 -1.0 -1.0 1267583 ChemDiv1_001016 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O05 compound treatment 0.355 0.005 1.0 0.354 0.004 1.0 -1.0 -1.0 1209022 ChemDiv1_001017 Brc1ccc(cc1)C2SCCN2C(=O)c3cc4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O06 compound treatment 0.372 0.022 1.0 0.372 0.022 1.0 -1.0 -1.0 1397984 ChemDiv1_001018 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCCc4ccccc4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O07 compound treatment 0.532 0.182 1.0 0.521 0.171 1.0 -1.0 -1.0 1922340 ChemDiv1_001019 CC(C)C(N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)/SC1=S)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O08 compound treatment 0.378 0.028 1.0 0.368 0.018 1.0 -1.0 -1.0 1613343 ChemDiv1_001020 CCOc1cc(ccc1O)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O09 compound treatment 0.365 0.015 1.0 0.366 0.016 1.0 -1.0 -1.0 1562337 ChemDiv1_001021 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O10 compound treatment 0.365 0.015 1.0 0.37 0.02 1.0 -1.0 -1.0 1492534 ChemDiv1_001022 OC(=O)CCn1c(SCc2cccc3ccccc23)nc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O11 compound treatment 0.481 0.131 1.0 0.465 0.115 1.0 -1.0 -1.0 1163020 ChemDiv1_001023 Clc1c(sc2cc(Cl)ccc12)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O12 compound treatment 0.628 0.278 1.0 0.595 0.245 1.0 -1.0 -1.0 1970793 ChemDiv1_001024 CC(C)CC(N1C(=O)/C(=C\2/C(=O)Nc3ccc(Br)cc23)/SC1=S)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O13 compound treatment 0.38 0.03 1.0 0.379 0.029 1.0 -1.0 -1.0 1175295 ChemDiv1_001025 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O14 compound treatment 0.344 -0.006 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970794 ChemDiv1_001026 CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN3C(=O)c4ccccc4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O15 compound treatment 0.345 -0.005 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1450700 ChemDiv1_001027 COc1ccc(cc1Br)C2NC(=O)NC(=C2C(=O)OC3CCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O16 compound treatment 0.353 0.003 1.0 0.352 0.002 1.0 -1.0 -1.0 1970795 ChemDiv1_001028 COc1ccc(/C=C/2\SC(=O)N(CCC(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O17 compound treatment 0.33 -0.02 -1.0 0.352 0.002 1.0 -1.0 -1.0 1970796 ChemDiv1_001029 CCCCCCOC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O18 compound treatment 0.321 -0.029 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1970797 ChemDiv1_001030 Clc1ccc(/C=C/2\SC(=O)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O19 compound treatment 0.336 -0.014 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1970798 ChemDiv1_001031 CCCOc1ccc(cc1)C2NC(=O)NC(=C2C(=O)OCCCBr)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O20 compound treatment 0.883 0.533 1.0 0.853 0.503 1.0 -1.0 -1.0 1970799 ChemDiv1_001032 OC(=O)CN1C(=O)/C(=C\c2ccc(O)cc2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O21 compound treatment 0.331 -0.019 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1970800 ChemDiv1_001033 CC1=C(C(NC(=O)N1)c2cccc(Br)c2)C(=O)OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O22 compound treatment 0.358 0.008 1.0 0.356 0.006 1.0 -1.0 -1.0 1941881 ChemDiv1_001034 CCOC(=O)c1c(C)c(sc1NC(=O)CCN2C(=O)c3ccccc3C2=O)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 O24 positive control 0.089 -0.261 -1.0 0.098 -0.252 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P01 compound treatment 0.38 0.03 1.0 0.389 0.039 1.0 -1.0 -1.0 1723152 ChemDiv1_001035 NC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc4CCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P02 compound treatment 0.37 0.02 1.0 0.357 0.007 1.0 -1.0 -1.0 1778068 ChemDiv1_001036 Cc1cccc(Oc2cc(NC(=O)c3sc4ccccc4c3Cl)cc(c2)[N+](=O)[O-])c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P03 compound treatment 0.377 0.027 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1920121 ChemDiv1_001037 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccccc3)NS(=O)(=O)c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P04 compound treatment 0.374 0.024 1.0 0.363 0.013 1.0 -1.0 -1.0 1717108 ChemDiv1_001038 CN1C(=C(C(NC1=O)c2ccc(Cl)c(Cl)c2)C(=O)OC3CCCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P05 compound treatment 0.412 0.062 1.0 0.404 0.054 1.0 -1.0 -1.0 1637260 ChemDiv1_001039 Nc1nnc(s1)c2cc3ccccc3oc2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P06 compound treatment 0.395 0.045 1.0 0.393 0.043 1.0 -1.0 -1.0 1626109 ChemDiv1_001040 Clc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P07 compound treatment 0.389 0.039 1.0 0.388 0.038 1.0 -1.0 -1.0 1970801 ChemDiv1_001041 [O-][N+](=O)c1ccc(cc1)c2nnc(o2)c3cc4cc(Cl)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P08 compound treatment 0.38 0.03 1.0 0.384 0.034 1.0 -1.0 -1.0 1355305 ChemDiv1_001042 COc1cc(ccc1OCC(=O)O)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P09 compound treatment 0.38 0.03 1.0 0.375 0.025 1.0 -1.0 -1.0 1970802 ChemDiv1_001043 CN1C(=C(C(NC1=O)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P10 compound treatment 0.372 0.022 1.0 0.393 0.043 1.0 -1.0 -1.0 1368417 ChemDiv1_001044 Fc1ccccc1Nc2nnc(s2)c3cc4cc(Cl)cc(Cl)c4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P11 compound treatment 0.422 0.072 1.0 0.402 0.052 1.0 -1.0 -1.0 1237400 ChemDiv1_001045 COc1cc(cc(Cl)c1O)C2NC(=O)N(C)C(=C2C(=O)OC3CCCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P12 compound treatment 0.528 0.178 1.0 0.533 0.183 1.0 -1.0 -1.0 1393581 ChemDiv1_001046 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(F)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P13 compound treatment 0.355 0.005 1.0 0.353 0.003 1.0 -1.0 -1.0 1921045 ChemDiv1_001047 CNc1nc(Nc2ccc(cc2)C(=O)C)nc(OC(C(F)(F)F)C(F)(F)F)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P14 compound treatment 0.369 0.019 1.0 0.387 0.037 1.0 -1.0 -1.0 1970803 ChemDiv1_001048 CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OCc3ccccc3)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P15 compound treatment 0.363 0.013 1.0 0.371 0.021 1.0 -1.0 -1.0 1558967 ChemDiv1_001049 COc1cc(ccc1O)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P16 compound treatment 0.37 0.02 1.0 0.37 0.02 1.0 -1.0 -1.0 1970804 ChemDiv1_001050 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(Cl)cc2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P17 compound treatment 0.351 0.001 1.0 0.352 0.002 1.0 -1.0 -1.0 1970805 ChemDiv1_001051 [O-][N+](=O)c1ncn(CC(=O)Nc2ccc(cc2Cl)[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P18 compound treatment 0.396 0.046 1.0 0.4 0.05 1.0 -1.0 -1.0 1970806 ChemDiv1_001052 C/C(=C/Cn1c(SCc2cccc(Br)c2)nc3n(C)c(=O)[nH]c(=O)c13)/Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P19 compound treatment 0.369 0.019 1.0 0.368 0.018 1.0 -1.0 -1.0 1928439 ChemDiv1_001053 CC(C)(C)NC(=O)c1nn2c(cc(nc2c1Br)c3ccccc3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P20 compound treatment 0.366 0.016 1.0 0.367 0.017 1.0 -1.0 -1.0 1450942 ChemDiv1_001054 O=C(CSc1nc(ccc1C#N)c2cccs2)c3cc4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P21 compound treatment 0.36 0.01 1.0 0.36 0.01 1.0 -1.0 -1.0 1970807 ChemDiv1_001055 CC(C)CNC(=O)c1nn2c(cc(nc2c1Br)c3cccs3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P22 compound treatment 0.351 0.001 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1493165 ChemDiv1_001056 Clc1cccc(c1)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.589 P24 positive control 0.092 -0.258 -1.0 0.099 -0.251 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A01 compound treatment 0.369 0.019 1.0 0.38 0.03 1.0 -1.0 -1.0 1948396 ChemDiv1_001057 COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3cccc4ccccc34)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A02 compound treatment 0.356 0.006 1.0 0.368 0.018 1.0 -1.0 -1.0 1209355 ChemDiv1_001058 COc1cccc(c1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A03 compound treatment 0.35 0.0 -1.0 0.351 0.001 1.0 -1.0 -1.0 1970808 ChemDiv1_001059 CCN(CC)CCCNC(=O)c1nn2c(cc(nc2c1Br)c3cccs3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A04 compound treatment 0.348 -0.002 -1.0 0.358 0.008 1.0 -1.0 -1.0 1970809 ChemDiv1_001060 Brc1ccc(cc1)C2C3CC=CC3c4c5N2CC6CC=CC6c5cc7ccccc47 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A05 compound treatment 0.348 -0.002 -1.0 0.359 0.009 1.0 -1.0 -1.0 1252626 ChemDiv1_001061 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A06 compound treatment 0.352 0.002 1.0 0.362 0.012 1.0 -1.0 -1.0 1202798 ChemDiv1_001062 Cc1ccc(C)c2C3C=CCC3C(Nc12)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A07 compound treatment 0.343 -0.007 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1688628 ChemDiv1_001063 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A08 compound treatment 0.375 0.025 1.0 0.38 0.03 1.0 -1.0 -1.0 1168750 ChemDiv1_001064 Clc1cccc(C2Nc3ccc4ccccc4c3C5C=CCC52)c1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A09 compound treatment 0.356 0.006 1.0 0.379 0.029 1.0 -1.0 -1.0 1970810 ChemDiv1_001065 CCOc1ccccc1C2NC(=O)N(C)C(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A10 compound treatment 0.326 -0.024 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1514128 ChemDiv1_001066 CCOC(=O)C1=C(NC(=O)NC1c2ccc(Br)cc2)c3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A11 compound treatment 0.343 -0.007 -1.0 0.358 0.008 1.0 -1.0 -1.0 1659366 ChemDiv1_001067 CCOc1cccc2cc(C(=O)N)c(=Nc3sc4CCCCc4c3C#N)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A12 compound treatment 0.35 0.0 -1.0 0.363 0.013 1.0 -1.0 -1.0 1970811 ChemDiv1_001068 CN(C)c1ccc(/C=C/2\SC(=S)N(Nc3nc(C)cc(C)n3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A13 compound treatment 0.353 0.003 1.0 0.354 0.004 1.0 -1.0 -1.0 1120048 ChemDiv1_001069 CCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(cc4)N(CC)CC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A14 compound treatment 0.343 -0.007 -1.0 0.356 0.006 1.0 -1.0 -1.0 1970812 ChemDiv1_001070 Clc1ccccc1/C=C/2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A15 compound treatment 0.348 -0.002 -1.0 0.359 0.009 1.0 -1.0 -1.0 1235965 ChemDiv1_001071 CCOc1cc(ccc1O)C2Nc3ccccc3-c4nnc(SCC)nc4O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A16 compound treatment 0.337 -0.013 -1.0 0.351 0.001 1.0 -1.0 -1.0 1581027 ChemDiv1_001072 Fc1ccc(NC(=O)C2COc3ccccc3O2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A17 compound treatment 0.336 -0.014 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970813 ChemDiv1_001073 COc1cc(OC)cc(/C=C\2/S/C(=N\c3ccccc3Cl)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A18 compound treatment 0.335 -0.015 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1282679 ChemDiv1_001074 Cc1cccc(NC(=O)C2COc3ccccc3O2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A19 compound treatment 0.333 -0.017 -1.0 0.354 0.004 1.0 -1.0 -1.0 1970814 ChemDiv1_001075 CC(=O)OC(OC(=O)C)C1(OC2C=C1)C3C2C(=O)N(C3=O)c4ccc(Br)cc4[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A20 compound treatment 0.329 -0.021 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1276775 ChemDiv1_001076 Cc1c(Cl)cccc1NC(=O)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A21 compound treatment 0.343 -0.007 -1.0 0.356 0.006 1.0 -1.0 -1.0 1473578 ChemDiv1_001077 Cc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(Br)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A22 compound treatment 0.337 -0.013 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1596723 ChemDiv1_001078 CCOC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 A24 positive control 0.08 -0.27 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B01 compound treatment 0.363 0.013 1.0 0.378 0.028 1.0 -1.0 -1.0 1970815 ChemDiv1_001079 [O-][N+](=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B02 compound treatment 0.35 0.0 -1.0 0.358 0.008 1.0 -1.0 -1.0 1970816 ChemDiv1_001080 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B03 compound treatment 0.361 0.011 1.0 0.367 0.017 1.0 -1.0 -1.0 1970817 ChemDiv1_001081 O=C(CN1C(=O)/C(=C/c2ccccc2)/SC1=S)Nc3cccnc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B04 compound treatment 0.538 0.188 1.0 0.352 0.002 1.0 -1.0 -1.0 1118108 ChemDiv1_001082 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(Br)c3)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B05 compound treatment 0.371 0.021 1.0 0.388 0.038 1.0 -1.0 -1.0 1970818 ChemDiv1_001083 NC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)/SC2=S)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B06 compound treatment 0.378 0.028 1.0 0.377 0.027 1.0 -1.0 -1.0 1433187 ChemDiv1_001084 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)c4cccc(c4)C(=O)O)c(=O)n2C1c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B07 compound treatment 0.338 -0.012 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970819 ChemDiv1_001085 Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)/SC2=S)cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B08 compound treatment 0.361 0.011 1.0 0.385 0.035 1.0 -1.0 -1.0 1617100 ChemDiv1_001086 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B09 compound treatment 0.337 -0.013 -1.0 0.371 0.021 1.0 -1.0 -1.0 1970820 ChemDiv1_001087 COC(=O)c1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3Br)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B10 compound treatment 0.34 -0.01 -1.0 0.357 0.007 1.0 -1.0 -1.0 1970821 ChemDiv1_001088 [O-][N+](=O)c1cnc(NC(=O)CSc2nnc3c4ccccc4n(CC=C)c3n2)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B11 compound treatment 0.344 -0.006 -1.0 0.353 0.003 1.0 -1.0 -1.0 1970822 ChemDiv1_001089 COc1cc(N/C=C\2/N=C(OC2=O)c3ccccc3Br)c(cc1OC)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B12 compound treatment 0.342 -0.008 -1.0 0.359 0.009 1.0 -1.0 -1.0 1970823 ChemDiv1_001090 Cc1cc2nc3sc(=Cc4cc([N+](=O)[O-])c(cc4N5CCOCC5)N6CCOCC6)c(=O)n3c2cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B13 compound treatment 0.308 -0.042 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970824 ChemDiv1_001091 CCCCOC(=O)c1cc(ccc1Cl)c2ccc(/C=C/3\NC(=S)NC3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B14 compound treatment 0.321 -0.029 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1931183 ChemDiv1_001092 CN1CCN(CC1)c2ccc(/C=C/3\Sc4ccccc4C3=O)cc2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B15 compound treatment 0.334 -0.016 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970825 ChemDiv1_001093 OCCn1c(SCCSc2nc3ccccc3n2CCO)nc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B16 compound treatment 0.337 -0.013 -1.0 0.355 0.005 1.0 -1.0 -1.0 1939042 ChemDiv1_001094 [O-][N+](=O)c1ccc2NC(=O)/C(=C/3\S/C(=N\c4ccccc4)/N(C3=O)c5ccccc5)/c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B17 compound treatment 0.343 -0.007 -1.0 0.352 0.002 1.0 -1.0 -1.0 1573848 ChemDiv1_001095 CCOc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B18 compound treatment 0.34 -0.01 -1.0 0.351 0.001 1.0 -1.0 -1.0 1970826 ChemDiv1_001096 CCCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(OCC=C)cc4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B19 compound treatment 0.408 0.058 1.0 0.427 0.077 1.0 -1.0 -1.0 1970827 ChemDiv1_001097 [O-][N+](=O)c1ccc(cc1Sc2nc3ccccc3[nH]2)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B20 compound treatment 0.34 -0.01 -1.0 0.353 0.003 1.0 -1.0 -1.0 1442249 ChemDiv1_001098 Clc1ccc2oc(=O)c(cc2c1)c3nnc(o3)c4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B21 compound treatment 0.35 0.0 -1.0 0.365 0.015 1.0 -1.0 -1.0 1970828 ChemDiv1_001099 Oc1c(Br)cc(cc1/C=C/2\SC(=S)N(C2=O)c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B22 compound treatment 0.342 -0.008 -1.0 0.357 0.007 1.0 -1.0 -1.0 1414789 ChemDiv1_001100 COc1cccc(NC(=O)c2cc(nc3ccccc23)c4cccs4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 B24 positive control 0.078 -0.272 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C01 compound treatment 0.372 0.022 1.0 0.374 0.024 1.0 -1.0 -1.0 1970829 ChemDiv1_001101 Cc1ccc(CC2S/C(=N/c3ccccn3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C02 compound treatment 0.348 -0.002 -1.0 0.353 0.003 1.0 -1.0 -1.0 1537526 ChemDiv1_001102 Cc1c(NC(=O)c2cc3cccc(CC=C)c3oc2=O)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C03 compound treatment 0.346 -0.004 -1.0 0.359 0.009 1.0 -1.0 -1.0 1939498 ChemDiv1_001103 COc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccco4)cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C04 compound treatment 0.368 0.018 1.0 0.374 0.024 1.0 -1.0 -1.0 1777382 ChemDiv1_001104 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(Br)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C05 compound treatment 0.332 -0.018 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1780895 ChemDiv1_001105 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1/C=C/c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C06 compound treatment 0.352 0.002 1.0 0.368 0.018 1.0 -1.0 -1.0 1233316 ChemDiv1_001106 COc1cccc2C3C=CCC3C(Nc12)c4cccc(Cl)c4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C07 compound treatment 0.344 -0.006 -1.0 0.357 0.007 1.0 -1.0 -1.0 1412387 ChemDiv1_001107 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OCC)c3)c(=O)n2C1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C08 compound treatment 0.326 -0.024 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1970830 ChemDiv1_001108 Clc1cccc(C2C3CC=CC3c4c5N2CC6CC=CC6c5cc7ccccc47)c1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C09 compound treatment 0.336 -0.014 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1625251 ChemDiv1_001109 COc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C10 compound treatment 0.352 0.002 1.0 0.369 0.019 1.0 -1.0 -1.0 1970831 ChemDiv1_001110 CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc3OCOc3cc2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C11 compound treatment 0.302 -0.048 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1970832 ChemDiv1_001111 CCCCCCc1cc2cc(c3csc(Nc4ccc(Cl)cc4Cl)n3)c(=O)oc2cc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C12 compound treatment 0.331 -0.019 -1.0 0.364 0.014 1.0 -1.0 -1.0 1938227 ChemDiv1_001112 Clc1ccccc1c2nc3sc4CCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C13 compound treatment 0.336 -0.014 -1.0 0.354 0.004 1.0 -1.0 -1.0 1256169 ChemDiv1_001113 CCOc1ccc2ccccc2c1C3Nc4ccccc4-c5nnc(SCC)nc5O3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C14 compound treatment 0.344 -0.006 -1.0 0.36 0.01 1.0 -1.0 -1.0 1970833 ChemDiv1_001114 Brc1ccc(/C=C/2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C15 compound treatment 0.328 -0.022 -1.0 0.355 0.005 1.0 -1.0 -1.0 1652185 ChemDiv1_001115 CCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(OCC=C)cc4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C16 compound treatment 0.33 -0.02 -1.0 0.352 0.002 1.0 -1.0 -1.0 1463406 ChemDiv1_001116 COc1cc(NC(=O)C2COc3ccccc3O2)c(OC)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C17 compound treatment 0.342 -0.008 -1.0 0.358 0.008 1.0 -1.0 -1.0 1940118 ChemDiv1_001117 FC(F)(F)c1cccc(/C=C\2/S/C(=N\c3ccccc3)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C18 compound treatment 0.333 -0.017 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1296015 ChemDiv1_001118 Cc1ccc(NC(=O)C2COc3ccccc3O2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C19 compound treatment 0.337 -0.013 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1392674 ChemDiv1_001119 Brc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccccc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C20 compound treatment 0.329 -0.021 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1227491 ChemDiv1_001120 COc1ccccc1NC(=O)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C21 compound treatment 0.342 -0.008 -1.0 0.354 0.004 1.0 -1.0 -1.0 1276436 ChemDiv1_001121 Clc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(Br)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C22 compound treatment 0.335 -0.015 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1242198 ChemDiv1_001122 CCOC(=O)c1ccccc1NC(=O)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 C24 positive control 0.08 -0.27 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D01 compound treatment 0.354 0.004 1.0 0.368 0.018 1.0 -1.0 -1.0 1521611 ChemDiv1_001123 O=C(Nc1ccccc1)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D02 compound treatment 0.343 -0.007 -1.0 0.356 0.006 1.0 -1.0 -1.0 1698978 ChemDiv1_001124 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D03 compound treatment 0.376 0.026 1.0 0.39 0.04 1.0 -1.0 -1.0 1970834 ChemDiv1_001125 COc1ccc(/C=C\2/SC(=O)N(CC(=O)NN3CCN(C)CC3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D04 compound treatment 0.35 0.0 -1.0 0.358 0.008 1.0 -1.0 -1.0 1655147 ChemDiv1_001126 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)cc3)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D05 compound treatment 0.373 0.023 1.0 0.397 0.047 1.0 -1.0 -1.0 1970835 ChemDiv1_001127 Oc1ccc(cc1NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)/SC2=S)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D06 compound treatment 0.359 0.009 1.0 0.372 0.022 1.0 -1.0 -1.0 1379606 ChemDiv1_001128 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D07 compound treatment 0.352 0.002 1.0 0.374 0.024 1.0 -1.0 -1.0 1970836 ChemDiv1_001129 Fc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)/SC2=S)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D08 compound treatment 0.352 0.002 1.0 0.38 0.03 1.0 -1.0 -1.0 1707411 ChemDiv1_001130 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D09 compound treatment 0.37 0.02 1.0 0.378 0.028 1.0 -1.0 -1.0 1970837 ChemDiv1_001131 CC(=O)Nc1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3Br)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D10 compound treatment 0.331 -0.019 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1495379 ChemDiv1_001132 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cn(Cc5ccc(Cl)cc5Cl)nc4c6ccccc6)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D11 compound treatment 0.259 -0.091 -1.0 0.266 -0.084 -1.0 -1.0 -1.0 1774970 ChemDiv1_001133 [O-][N+](=O)c1ccc2C(=O)N(NC(=O)COc3ccc(Cl)cc3Cl)C(=O)c4cccc1c42 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D12 compound treatment 0.341 -0.009 -1.0 0.359 0.009 1.0 -1.0 -1.0 1970838 ChemDiv1_001134 Cc1cc2nc3sc(=Cc4cc([N+](=O)[O-])c(cc4N5CCCCC5)N6CCCCC6)c(=O)n3c2cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D13 compound treatment 0.376 0.026 1.0 0.394 0.044 1.0 -1.0 -1.0 1970839 ChemDiv1_001135 COc1cc(/C=C/2\C(=NN(C2=O)c3cccc(Br)c3)C)ccc1OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D14 compound treatment 0.358 0.008 1.0 0.375 0.025 1.0 -1.0 -1.0 1187025 ChemDiv1_001136 CN(C)c1nc2nonc2nc1Nc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D15 compound treatment 0.323 -0.027 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970840 ChemDiv1_001137 Brc1ccccc1C(=O)Oc2ccc(NC3=NS(=O)(=O)c4ccccc34)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D16 compound treatment 0.346 -0.004 -1.0 0.362 0.012 1.0 -1.0 -1.0 1271371 ChemDiv1_001138 CCCSc1nnc-2c(OC(Nc3ccccc32)c4ccco4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D17 compound treatment 0.329 -0.021 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1628560 ChemDiv1_001139 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OCC=C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D18 compound treatment 0.331 -0.019 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1691096 ChemDiv1_001140 CCCSc1nnc-2c(OC(Nc3ccccc32)c4ccccc4OCC(=O)OCC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D19 compound treatment 0.326 -0.024 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1970841 ChemDiv1_001141 Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D20 compound treatment 0.329 -0.021 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1643666 ChemDiv1_001142 CCOc1ccc2cc(c3nnc(o3)c4cccc(Br)c4)c(=O)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D21 compound treatment 0.335 -0.015 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1359885 ChemDiv1_001143 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4OCOc4cc3Br)c(=O)n2C1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D22 compound treatment 0.336 -0.014 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1923727 ChemDiv1_001144 COc1ccc(cc1OC)C2CC(=NN2C(=O)c3ccccc3)c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 D24 positive control 0.081 -0.269 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E01 compound treatment 0.377 0.027 1.0 0.395 0.045 1.0 -1.0 -1.0 1970842 ChemDiv1_001145 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)N3CCOCC3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E02 compound treatment 0.339 -0.011 -1.0 0.36 0.01 1.0 -1.0 -1.0 1942813 ChemDiv1_001146 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4ccccc34)C(C2)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E03 compound treatment 0.375 0.025 1.0 0.384 0.034 1.0 -1.0 -1.0 1134342 ChemDiv1_001147 Cc1c(NC(=O)c2cc3nc(cc(C)n3n2)c4ccccc4)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E04 compound treatment 0.366 0.016 1.0 0.375 0.025 1.0 -1.0 -1.0 1777383 ChemDiv1_001148 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6cccc(c6)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E05 compound treatment 0.334 -0.016 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1780896 ChemDiv1_001149 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(OC(=O)C)c4ccccc34)c(=O)n2C1/C=C/c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E06 compound treatment 0.348 -0.002 -1.0 0.362 0.012 1.0 -1.0 -1.0 1633635 ChemDiv1_001150 Clc1cccc(C2Nc3c(C#N)cccc3C4C=CCC42)c1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E07 compound treatment 0.342 -0.008 -1.0 0.359 0.009 1.0 -1.0 -1.0 1476435 ChemDiv1_001151 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccco4)cc3)c(=O)n2C1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E08 compound treatment 0.333 -0.017 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1540578 ChemDiv1_001152 OC(=O)c1cccc2C3C=CCC3C(Nc12)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E09 compound treatment 0.341 -0.009 -1.0 0.363 0.013 1.0 -1.0 -1.0 1690896 ChemDiv1_001153 CCOC(=O)c1c(N=c2oc3ccccc3cc2C(=O)N)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E10 compound treatment 0.357 0.007 1.0 0.37 0.02 1.0 -1.0 -1.0 1412658 ChemDiv1_001154 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E11 compound treatment 0.339 -0.011 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1509101 ChemDiv1_001155 CSc1nnc-2c(OC(Nc3ccccc32)c4c(Cl)cccc4Cl)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E12 compound treatment 0.343 -0.007 -1.0 0.366 0.016 1.0 -1.0 -1.0 1207058 ChemDiv1_001156 O=c1oc(nc2sc3CCCc3c12)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E13 compound treatment 0.389 0.039 1.0 0.404 0.054 1.0 -1.0 -1.0 1970843 ChemDiv1_001157 CCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E14 compound treatment 0.344 -0.006 -1.0 0.363 0.013 1.0 -1.0 -1.0 1970844 ChemDiv1_001158 Brc1ccc(/C=C/2\SC(=S)N(CCCCCC(=O)Nc3nccs3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E15 compound treatment 0.34 -0.01 -1.0 0.357 0.007 1.0 -1.0 -1.0 1208549 ChemDiv1_001159 CCSc1nnc-2c(OC(Nc3ccccc32)c4c(OC)ccc5ccccc45)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E16 compound treatment 0.332 -0.018 -1.0 0.352 0.002 1.0 -1.0 -1.0 1495861 ChemDiv1_001160 COc1cccc(NC(=O)C2COc3ccccc3O2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E17 compound treatment 0.145 -0.205 -1.0 0.168 -0.182 -1.0 -1.0 -1.0 1934889 ChemDiv1_001161 COc1ccccc1N2C(=O)C3C4OC(C=C4)C3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E18 compound treatment 0.335 -0.015 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1469668 ChemDiv1_001162 Cc1ccc(NC(=O)C2COc3ccccc3O2)c(C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E19 compound treatment 0.332 -0.018 -1.0 0.357 0.007 1.0 -1.0 -1.0 1691408 ChemDiv1_001163 Cc1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E20 compound treatment 0.33 -0.02 -1.0 0.351 0.001 1.0 -1.0 -1.0 1645986 ChemDiv1_001164 COc1ccc(NC(=O)C2COc3ccccc3O2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E21 compound treatment 0.346 -0.004 -1.0 0.36 0.01 1.0 -1.0 -1.0 1779343 ChemDiv1_001165 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E22 compound treatment 0.314 -0.036 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1970845 ChemDiv1_001166 CCCCOC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 E24 positive control 0.083 -0.267 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F01 compound treatment 0.381 0.031 1.0 0.402 0.052 1.0 -1.0 -1.0 1926836 ChemDiv1_001167 COc1ccc(/C=C/2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F02 compound treatment 0.413 0.063 1.0 0.431 0.081 1.0 -1.0 -1.0 1735799 ChemDiv1_001168 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F03 compound treatment 0.38 0.03 1.0 0.394 0.044 1.0 -1.0 -1.0 1926315 ChemDiv1_001169 COc1ccc(/C=C\2/SC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F04 compound treatment 0.36 0.01 1.0 0.38 0.03 1.0 -1.0 -1.0 1241778 ChemDiv1_001170 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Br)c3)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F05 compound treatment 0.355 0.005 1.0 0.39 0.04 1.0 -1.0 -1.0 1970846 ChemDiv1_001171 Oc1ccc(cc1NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)/SC2=S)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F06 compound treatment 0.368 0.018 1.0 0.4 0.05 1.0 -1.0 -1.0 1332416 ChemDiv1_001172 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F07 compound treatment 0.341 -0.009 -1.0 0.359 0.009 1.0 -1.0 -1.0 1542438 ChemDiv1_001173 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc3ccccc3oc2=O)C(=O)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F08 compound treatment 0.377 0.027 1.0 0.396 0.046 1.0 -1.0 -1.0 1325924 ChemDiv1_001174 CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2C1c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F09 compound treatment 0.595 0.245 1.0 0.616 0.266 1.0 -1.0 -1.0 1970847 ChemDiv1_001175 OC(=O)c1ccc(Cl)cc1N/C=C/2\N=C(OC2=O)c3ccccc3Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F10 compound treatment 0.34 -0.01 -1.0 0.358 0.008 1.0 -1.0 -1.0 1780848 ChemDiv1_001176 COc1ccc(c2ccc(C=c3sc4nc5cc(C)c(C)cc5n4c3=O)o2)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F11 compound treatment 0.348 -0.002 -1.0 0.366 0.016 1.0 -1.0 -1.0 1970848 ChemDiv1_001177 Clc1ccc2nc(cn2c1)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F12 compound treatment 0.345 -0.005 -1.0 0.362 0.012 1.0 -1.0 -1.0 1939701 ChemDiv1_001178 Cc1cc2nc3sc(=Cc4ccc(N5CCOCC5)c(c4)[N+](=O)[O-])c(=O)n3c2cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F13 compound treatment 0.338 -0.012 -1.0 0.358 0.008 1.0 -1.0 -1.0 1970849 ChemDiv1_001179 COc1cc(ccc1c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(Br)c4)C)o2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F14 compound treatment 0.356 0.006 1.0 0.394 0.044 1.0 -1.0 -1.0 1776306 ChemDiv1_001180 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(o4)c5ccccc5[N+](=O)[O-])C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F15 compound treatment 0.326 -0.024 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1970850 ChemDiv1_001181 CN(C1=NS(=O)(=O)c2ccccc12)c3ccc(OC(=O)c4ccc(cc4)[N+](=O)[O-])cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F16 compound treatment 0.332 -0.018 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1529254 ChemDiv1_001182 CCCSc1nnc-2c(OC(Nc3ccccc32)c4cccs4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F17 compound treatment 0.315 -0.035 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1970851 ChemDiv1_001183 CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc3OCOc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F18 compound treatment 0.352 0.002 1.0 0.369 0.019 1.0 -1.0 -1.0 1362163 ChemDiv1_001184 CCCSc1nnc-2c(OC(Nc3ccccc32)c4c(OC)ccc5ccccc45)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F19 compound treatment 0.355 0.005 1.0 0.355 0.005 1.0 -1.0 -1.0 1200485 ChemDiv1_001185 Oc1cc(NC(=O)c2ccccc2F)ccc1c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F20 compound treatment 0.345 -0.005 -1.0 0.357 0.007 1.0 -1.0 -1.0 1316594 ChemDiv1_001186 CCOc1ccc2cc(c3nnc(o3)c4cccc(OC)c4)c(=O)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F21 compound treatment 0.343 -0.007 -1.0 0.356 0.006 1.0 -1.0 -1.0 1336439 ChemDiv1_001187 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F22 compound treatment 0.346 -0.004 -1.0 0.353 0.003 1.0 -1.0 -1.0 1970852 ChemDiv1_001188 Cc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 F24 positive control 0.083 -0.267 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G01 compound treatment 0.361 0.011 1.0 0.375 0.025 1.0 -1.0 -1.0 1970853 ChemDiv1_001189 CCOC(=O)c1sc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C(=O)OCC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G02 compound treatment 0.332 -0.018 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1942928 ChemDiv1_001190 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4cc(Br)ccc34)C(C2)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G03 compound treatment 0.339 -0.011 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1778812 ChemDiv1_001191 [O-][N+](=O)c1ncn(CC(=O)Nc2ccc(F)c(Cl)c2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G04 compound treatment 0.344 -0.006 -1.0 0.372 0.022 1.0 -1.0 -1.0 1970854 ChemDiv1_001192 [O-][N+](=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G05 compound treatment 0.345 -0.005 -1.0 0.357 0.007 1.0 -1.0 -1.0 1645363 ChemDiv1_001193 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1c5ccc(OC(=O)C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G06 compound treatment 0.339 -0.011 -1.0 0.362 0.012 1.0 -1.0 -1.0 1467192 ChemDiv1_001194 Fc1ccc(cc1)C2Nc3c(Cl)c(Cl)ccc3C4C=CCC42 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G07 compound treatment 0.26 -0.09 -1.0 0.286 -0.064 -1.0 -1.0 -1.0 1970855 ChemDiv1_001195 Clc1ccc(cc1Cl)c2ccc(/C=C\3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G08 compound treatment 0.353 0.003 1.0 0.394 0.044 1.0 -1.0 -1.0 1485469 ChemDiv1_001196 Clc1ccccc1C2Nc3ccc4ccccc4c3C5C=CCC52 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G09 compound treatment 0.342 -0.008 -1.0 0.362 0.012 1.0 -1.0 -1.0 1441034 ChemDiv1_001197 CCOC(=O)c1c(N=c2oc3ccc(OC)cc3cc2C(=O)N)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G10 compound treatment 0.341 -0.009 -1.0 0.366 0.016 1.0 -1.0 -1.0 1379721 ChemDiv1_001198 Cc1cc(C)n(n1)C(=O)CCN2C(=O)c3ccccc3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G11 compound treatment 0.33 -0.02 -1.0 0.351 0.001 1.0 -1.0 -1.0 1475377 ChemDiv1_001199 CCOC(=O)COc1ccccc1C2Nc3ccccc3-c4nnc(SC)nc4O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G12 compound treatment 0.361 0.011 1.0 0.379 0.029 1.0 -1.0 -1.0 1970856 ChemDiv1_001200 O=c1oc(nc2sc3CCCc3c12)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G13 compound treatment 0.33 -0.02 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1190792 ChemDiv1_001201 CCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(OC)c(Br)c4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G14 compound treatment 0.37 0.02 1.0 0.377 0.027 1.0 -1.0 -1.0 1938755 ChemDiv1_001202 COc1ccc(/C=C/2\SC(=O)N(CC(=O)Nc3nccs3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G15 compound treatment 0.332 -0.018 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1940074 ChemDiv1_001203 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3c4ccccc4cc5ccccc35)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G16 compound treatment 0.336 -0.014 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1947550 ChemDiv1_001204 FC(F)(F)c1ccccc1NC(=O)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G17 compound treatment 0.163 -0.187 -1.0 0.191 -0.159 -1.0 -1.0 -1.0 1158790 ChemDiv1_001205 CC1(OC2(C)C=C1)C3C2C(=O)N(C3=O)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G18 compound treatment 0.329 -0.021 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1234702 ChemDiv1_001206 Cc1ccc(NC(=O)C2COc3ccccc3O2)cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G19 compound treatment 0.344 -0.006 -1.0 0.356 0.006 1.0 -1.0 -1.0 1450539 ChemDiv1_001207 Brc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)C3CCCCC3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G20 compound treatment 0.33 -0.02 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1646359 ChemDiv1_001208 CCOc1ccccc1NC(=O)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G21 compound treatment 0.343 -0.007 -1.0 0.355 0.005 1.0 -1.0 -1.0 1779342 ChemDiv1_001209 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G22 compound treatment 0.331 -0.019 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1647670 ChemDiv1_001210 Cc1cc(C)cc(NC(=O)C2COc3ccccc3O2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 G24 positive control 0.084 -0.266 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H01 compound treatment 0.437 0.087 1.0 0.447 0.097 1.0 -1.0 -1.0 1970857 ChemDiv1_001211 CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)/SC2=S)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H02 compound treatment 0.434 0.084 1.0 0.444 0.094 1.0 -1.0 -1.0 1355017 ChemDiv1_001212 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c4ccc(cc4)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H03 compound treatment 0.396 0.046 1.0 0.42 0.07 1.0 -1.0 -1.0 1926410 ChemDiv1_001213 COc1ccc(/C=C\2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H04 compound treatment 0.346 -0.004 -1.0 0.359 0.009 1.0 -1.0 -1.0 1158281 ChemDiv1_001214 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4OCOc4cc3Br)c(=O)n2C1c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H05 compound treatment 0.361 0.011 1.0 0.377 0.027 1.0 -1.0 -1.0 1970858 ChemDiv1_001215 Clc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H06 compound treatment 0.375 0.025 1.0 0.4 0.05 1.0 -1.0 -1.0 1970859 ChemDiv1_001216 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(cc3)[N+](=O)[O-])c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H07 compound treatment 0.343 -0.007 -1.0 0.366 0.016 1.0 -1.0 -1.0 1146480 ChemDiv1_001217 CCOC(=O)c1sc(NC(=O)C2COc3ccccc3O2)c(C(=O)OCC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H08 compound treatment 0.36 0.01 1.0 0.381 0.031 1.0 -1.0 -1.0 1665408 ChemDiv1_001218 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H09 compound treatment 0.346 -0.004 -1.0 0.361 0.011 1.0 -1.0 -1.0 1970860 ChemDiv1_001219 COc1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3Br)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H10 compound treatment 0.363 0.013 1.0 0.375 0.025 1.0 -1.0 -1.0 1262121 ChemDiv1_001220 COc1cc(cc(OC)c1O)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H11 compound treatment 0.327 -0.023 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1970861 ChemDiv1_001221 CCOc1cc(/C=C/2\NC(=S)NC2=O)ccc1OCc3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H12 compound treatment 0.344 -0.006 -1.0 0.354 0.004 1.0 -1.0 -1.0 1970862 ChemDiv1_001222 CC1CCN(CC1)c2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H13 compound treatment 0.328 -0.022 -1.0 0.352 0.002 1.0 -1.0 -1.0 1970863 ChemDiv1_001223 CCOc1ccc(OCCSc2nc3ccccc3n2CCO)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H14 compound treatment 0.319 -0.031 -1.0 0.354 0.004 1.0 -1.0 -1.0 1672190 ChemDiv1_001224 CCOC(=O)COc1ccc(cc1OC)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H15 compound treatment 0.334 -0.016 -1.0 0.355 0.005 1.0 -1.0 -1.0 1970864 ChemDiv1_001225 Brc1ccccc1C(=O)OCCCNC2=NS(=O)(=O)c3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H16 compound treatment 0.324 -0.026 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970865 ChemDiv1_001226 CCCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(o4)[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H17 compound treatment 0.342 -0.008 -1.0 0.358 0.008 1.0 -1.0 -1.0 1410590 ChemDiv1_001227 CN1C(=C(C(NC1=O)c2cc3OCOc3cc2Br)C(=O)OC4CCCC4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H18 compound treatment 0.325 -0.025 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970866 ChemDiv1_001228 CCCSc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccc(o4)[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H19 compound treatment 0.349 -0.001 -1.0 0.368 0.018 1.0 -1.0 -1.0 1970867 ChemDiv1_001229 CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H20 compound treatment 0.343 -0.007 -1.0 0.355 0.005 1.0 -1.0 -1.0 1454975 ChemDiv1_001230 CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc4CC(C)CCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H21 compound treatment 0.343 -0.007 -1.0 0.355 0.005 1.0 -1.0 -1.0 1670033 ChemDiv1_001231 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2C1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H22 compound treatment 0.346 -0.004 -1.0 0.357 0.007 1.0 -1.0 -1.0 1970868 ChemDiv1_001232 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 H24 positive control 0.085 -0.265 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I01 compound treatment 0.378 0.028 1.0 0.382 0.032 1.0 -1.0 -1.0 1777482 ChemDiv1_001233 COc1ccc(NC(=O)Cn2cnc(n2)[N+](=O)[O-])c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I02 compound treatment 0.404 0.054 1.0 0.419 0.069 1.0 -1.0 -1.0 1970869 ChemDiv1_001234 CC(=O)N1N=C(CC1c2ccc(Br)cc2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I03 compound treatment 0.354 0.004 1.0 0.364 0.014 1.0 -1.0 -1.0 1970870 ChemDiv1_001235 CC(=O)c1ccc(NC(=O)Cn2cnc(n2)[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I04 compound treatment 0.374 0.024 1.0 0.391 0.041 1.0 -1.0 -1.0 1970871 ChemDiv1_001236 [O-][N+](=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(F)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I05 compound treatment 0.365 0.015 1.0 0.376 0.026 1.0 -1.0 -1.0 1196209 ChemDiv1_001237 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I06 compound treatment 0.124 -0.226 -1.0 0.127 -0.223 -1.0 -1.0 -1.0 1153353 ChemDiv1_001238 CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I07 compound treatment 0.296 -0.054 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970872 ChemDiv1_001239 CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccccc2OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I08 compound treatment 0.354 0.004 1.0 0.366 0.016 1.0 -1.0 -1.0 1778024 ChemDiv1_001240 Cc1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6cccc(c6)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I09 compound treatment 0.339 -0.011 -1.0 0.363 0.013 1.0 -1.0 -1.0 1565494 ChemDiv1_001241 CCOC(=O)c1c(N=c2oc3c(OC)cccc3cc2C(=O)N)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I10 compound treatment 0.282 -0.068 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1970873 ChemDiv1_001242 Cc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\C(=C\c3ccccc3)\Br)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I11 compound treatment 0.35 0.0 -1.0 0.368 0.018 1.0 -1.0 -1.0 1227373 ChemDiv1_001243 CCCOc1ccccc1C2Nc3ccccc3-c4nnc(SC)nc4O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I12 compound treatment 0.35 0.0 -1.0 0.364 0.014 1.0 -1.0 -1.0 1489761 ChemDiv1_001244 Cc1nc2sc3CCCCCc3c2c(=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I13 compound treatment 0.349 -0.001 -1.0 0.369 0.019 1.0 -1.0 -1.0 1712755 ChemDiv1_001245 CCSc1nnc-2c(OC(C)(C)Nc3ccccc32)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I14 compound treatment 0.423 0.073 1.0 0.462 0.112 1.0 -1.0 -1.0 1970874 ChemDiv1_001246 Oc1ccc(/C=C/2\S/C(=N\c3ccc(O)cc3)/N(C2=O)c4ccc(O)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I15 compound treatment 0.356 0.006 1.0 0.38 0.03 1.0 -1.0 -1.0 1457895 ChemDiv1_001247 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc(cc4)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I16 compound treatment 0.332 -0.018 -1.0 0.353 0.003 1.0 -1.0 -1.0 1970875 ChemDiv1_001248 FC(F)(F)c1cccc(NC(=O)C2COc3ccccc3O2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I17 compound treatment 0.318 -0.032 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1410046 ChemDiv1_001249 OCC1(OC2C=C1)C3C2C(=O)N(C3=O)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I18 compound treatment 0.341 -0.009 -1.0 0.355 0.005 1.0 -1.0 -1.0 1561539 ChemDiv1_001250 Cc1ccc(C)c(NC(=O)C2COc3ccccc3O2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I19 compound treatment 0.352 0.002 1.0 0.366 0.016 1.0 -1.0 -1.0 1551148 ChemDiv1_001251 Fc1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I20 compound treatment 0.338 -0.012 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1529929 ChemDiv1_001252 CCOc1ccc(NC(=O)C2COc3ccccc3O2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I21 compound treatment 0.344 -0.006 -1.0 0.354 0.004 1.0 -1.0 -1.0 1779344 ChemDiv1_001253 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I22 compound treatment 0.338 -0.012 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1368815 ChemDiv1_001254 O=C(Nc1cccc2ccccc12)C3COc4ccccc4O3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 I24 positive control 0.086 -0.264 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J01 compound treatment 0.402 0.052 1.0 0.397 0.047 1.0 -1.0 -1.0 1970876 ChemDiv1_001255 COc1ccc(/C=C/2\SC(=O)N(CC(=O)Nc3sc4CCCCc4c3C(=O)N)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J02 compound treatment 0.347 -0.003 -1.0 0.356 0.006 1.0 -1.0 -1.0 1579344 ChemDiv1_001256 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2C1c4ccc(cc4)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J03 compound treatment 0.424 0.074 1.0 0.449 0.099 1.0 -1.0 -1.0 1926369 ChemDiv1_001257 COc1ccc(/C=C\2/SC(=S)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J04 compound treatment 0.45 0.1 1.0 0.469 0.119 1.0 -1.0 -1.0 1705678 ChemDiv1_001258 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J05 compound treatment 0.421 0.071 1.0 0.45 0.1 1.0 -1.0 -1.0 1970877 ChemDiv1_001259 Oc1ccc(cc1NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3)/C2=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J06 compound treatment 0.393 0.043 1.0 0.4 0.05 1.0 -1.0 -1.0 1645268 ChemDiv1_001260 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J07 compound treatment 0.35 0.0 -1.0 0.356 0.006 1.0 -1.0 -1.0 1696816 ChemDiv1_001261 CCOC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J08 compound treatment 0.364 0.014 1.0 0.387 0.037 1.0 -1.0 -1.0 1970878 ChemDiv1_001262 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J09 compound treatment 0.384 0.034 1.0 0.4 0.05 1.0 -1.0 -1.0 1970879 ChemDiv1_001263 Cc1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3Br)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J10 compound treatment 0.349 -0.001 -1.0 0.384 0.034 1.0 -1.0 -1.0 1230852 ChemDiv1_001264 COc1cc(ccc1OCc2ccc(C)cc2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J11 compound treatment 0.382 0.032 1.0 0.405 0.055 1.0 -1.0 -1.0 1970880 ChemDiv1_001265 COc1ccc(/C=C/2\S\C(=N/c3ccccc3)\NC2=O)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J12 compound treatment 0.338 -0.012 -1.0 0.366 0.016 1.0 -1.0 -1.0 1939288 ChemDiv1_001266 [O-][N+](=O)c1cc(ccc1Oc2cccc(C=c3sc4nc5ccccc5n4c3=O)c2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J13 compound treatment 0.331 -0.019 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1289568 ChemDiv1_001267 COc1ccccc1OCCn2c(SCC(=O)N)nc3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J14 compound treatment 0.352 0.002 1.0 0.377 0.027 1.0 -1.0 -1.0 1970881 ChemDiv1_001268 Cc1cc(C)n(n1)c2nc3nonc3nc2n4nc(C)cc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J15 compound treatment 0.354 0.004 1.0 0.36 0.01 1.0 -1.0 -1.0 1454635 ChemDiv1_001269 COc1ccc(cc1)C(=O)Nc2cc(ccc2C)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J16 compound treatment 0.343 -0.007 -1.0 0.364 0.014 1.0 -1.0 -1.0 1646280 ChemDiv1_001270 CCCSc1nnc-2c(OC(Nc3ccccc32)c4cc(Br)ccc4OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J17 compound treatment 0.317 -0.033 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1667819 ChemDiv1_001271 CC(C)CCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccc(OCc3ccccc3)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J18 compound treatment 0.35 0.0 -1.0 0.365 0.015 1.0 -1.0 -1.0 1178474 ChemDiv1_001272 CCCSc1nnc-2c(OC(Nc3ccccc32)c4cc(Br)c(O)c(OC)c4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J19 compound treatment 0.358 0.008 1.0 0.367 0.017 1.0 -1.0 -1.0 1970882 ChemDiv1_001273 CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4cccc(F)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J20 compound treatment 0.346 -0.004 -1.0 0.357 0.007 1.0 -1.0 -1.0 1236130 ChemDiv1_001274 COc1ccc(cc1)c2cc(C(=O)Nc3ccccc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J21 compound treatment 0.361 0.011 1.0 0.374 0.024 1.0 -1.0 -1.0 1600177 ChemDiv1_001275 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2C1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J22 compound treatment 0.339 -0.011 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1701887 ChemDiv1_001276 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 J24 positive control 0.086 -0.264 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K01 compound treatment 0.376 0.026 1.0 0.38 0.03 1.0 -1.0 -1.0 1970883 ChemDiv1_001277 COC(=O)c1ccccc1NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K02 compound treatment 0.355 0.005 1.0 0.358 0.008 1.0 -1.0 -1.0 1171575 ChemDiv1_001278 O=CN(CN1C(=O)c2ccccc2S1(=O)=O)CN3C(=O)c4ccccc4S3(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K03 compound treatment 0.356 0.006 1.0 0.371 0.021 1.0 -1.0 -1.0 1970884 ChemDiv1_001279 CCOC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc3CCCCc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K04 compound treatment 0.393 0.043 1.0 0.4 0.05 1.0 -1.0 -1.0 1207178 ChemDiv1_001280 COc1cccc2C3C=CCC3C(Nc12)c4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K05 compound treatment 0.346 -0.004 -1.0 0.357 0.007 1.0 -1.0 -1.0 1689774 ChemDiv1_001281 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Br)c3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K06 compound treatment 0.378 0.028 1.0 0.365 0.015 1.0 -1.0 -1.0 1160035 ChemDiv1_001282 CCOC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(F)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K07 compound treatment 0.352 0.002 1.0 0.377 0.027 1.0 -1.0 -1.0 1970885 ChemDiv1_001283 CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc(Br)c(O)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K08 compound treatment 0.364 0.014 1.0 0.385 0.035 1.0 -1.0 -1.0 1299660 ChemDiv1_001284 Fc1ccc(cc1)C2Nc3c(Cl)cc(Cl)cc3C4C=CCC42 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K09 compound treatment 0.357 0.007 1.0 0.378 0.028 1.0 -1.0 -1.0 1452067 ChemDiv1_001285 CCOC(=O)c1c(N=c2oc3ccc(Cl)cc3cc2C(=O)N)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K10 compound treatment 0.36 0.01 1.0 0.373 0.023 1.0 -1.0 -1.0 1970886 ChemDiv1_001286 COc1cc(cc(OC)c1OC)C2=N/C(=C\c3ccc(Br)cc3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K11 compound treatment 0.35 0.0 -1.0 0.374 0.024 1.0 -1.0 -1.0 1348405 ChemDiv1_001287 CCSc1nnc-2c(OC(Nc3ccccc32)c4cccs4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K12 compound treatment 0.363 0.013 1.0 0.374 0.024 1.0 -1.0 -1.0 1435390 ChemDiv1_001288 O=c1oc(nc2sc3CCCCCc3c12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K13 compound treatment 0.334 -0.016 -1.0 0.376 0.026 1.0 -1.0 -1.0 1614429 ChemDiv1_001289 CCSc1nnc-2c(OC(Nc3ccccc32)C4CCC(=CC4)C)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K14 compound treatment 0.359 0.009 1.0 0.379 0.029 1.0 -1.0 -1.0 1970887 ChemDiv1_001290 COc1ccc(/N=C/2\S/C(=C/3\C(=O)Nc4ccccc34)/C(=O)N2c5ccc(OC)cc5)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K15 compound treatment 0.378 0.028 1.0 0.415 0.065 1.0 -1.0 -1.0 1970888 ChemDiv1_001291 OC(=O)CN1C(=O)/C(=C\c2ccc(o2)c3ccc(Cl)c(c3)[N+](=O)[O-])/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K16 compound treatment 0.345 -0.005 -1.0 0.361 0.011 1.0 -1.0 -1.0 1166351 ChemDiv1_001292 O=C(NCCc1ccccc1)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K17 compound treatment 0.318 -0.032 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1229713 ChemDiv1_001293 Cc1ccc(cc1Br)N2C(=O)C3C4OC(CO)(C=C4)C3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K18 compound treatment 0.337 -0.013 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1123847 ChemDiv1_001294 Cc1cccc(NC(=O)C2COc3ccccc3O2)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K19 compound treatment 0.358 0.008 1.0 0.373 0.023 1.0 -1.0 -1.0 1197892 ChemDiv1_001295 Fc1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K20 compound treatment 0.347 -0.003 -1.0 0.354 0.004 1.0 -1.0 -1.0 1656945 ChemDiv1_001296 O=C(NCc1ccco1)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K21 compound treatment 0.339 -0.011 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1556522 ChemDiv1_001297 Clc1ccccc1C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K22 compound treatment 0.344 -0.006 -1.0 0.354 0.004 1.0 -1.0 -1.0 1947864 ChemDiv1_001298 CC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 K24 positive control 0.088 -0.262 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L01 compound treatment 0.465 0.115 1.0 0.476 0.126 1.0 -1.0 -1.0 1970889 ChemDiv1_001299 NC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3c(Cl)cccc3Cl)/SC2=S)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L02 compound treatment 0.363 0.013 1.0 0.364 0.014 1.0 -1.0 -1.0 1250080 ChemDiv1_001300 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L03 compound treatment 0.392 0.042 1.0 0.387 0.037 1.0 -1.0 -1.0 1926386 ChemDiv1_001301 COc1ccc(/C=C\2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L04 compound treatment 0.353 0.003 1.0 0.36 0.01 1.0 -1.0 -1.0 1508794 ChemDiv1_001302 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)c(OC)c3)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L05 compound treatment 0.358 0.008 1.0 0.367 0.017 1.0 -1.0 -1.0 1970890 ChemDiv1_001303 CN1CCN(CC1)NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L06 compound treatment 0.36 0.01 1.0 0.368 0.018 1.0 -1.0 -1.0 1394243 ChemDiv1_001304 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L07 compound treatment 0.367 0.017 1.0 0.366 0.016 1.0 -1.0 -1.0 1254618 ChemDiv1_001305 CCOC(=O)Cc1csc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L08 compound treatment 0.449 0.099 1.0 0.454 0.104 1.0 -1.0 -1.0 1174775 ChemDiv1_001306 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L09 compound treatment 0.409 0.059 1.0 0.424 0.074 1.0 -1.0 -1.0 1970891 ChemDiv1_001307 COc1cc(ccc1N/C=C/2\N=C(OC2=O)c3ccccc3Br)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L10 compound treatment 0.344 -0.006 -1.0 0.366 0.016 1.0 -1.0 -1.0 1243339 ChemDiv1_001308 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(OCc5c(F)cccc5Cl)cc4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L11 compound treatment 0.441 0.091 1.0 0.472 0.122 1.0 -1.0 -1.0 1970892 ChemDiv1_001309 Cc1cc(/C=C/2\S\C(=N/c3ccccc3)\NC2=O)c(C)n1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L12 compound treatment 0.344 -0.006 -1.0 0.354 0.004 1.0 -1.0 -1.0 1970893 ChemDiv1_001310 COC(=O)c1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L13 compound treatment 0.359 0.009 1.0 0.373 0.023 1.0 -1.0 -1.0 1512930 ChemDiv1_001311 OC(=O)CSc1nc2ccccc2n1C3CCCCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L14 compound treatment 0.369 0.019 1.0 0.379 0.029 1.0 -1.0 -1.0 1970894 ChemDiv1_001312 CN1CCN(CC1)c2ccc(C=c3sc4nc5cc(C)c(C)cc5n4c3=O)cc2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L15 compound treatment 0.36 0.01 1.0 0.379 0.029 1.0 -1.0 -1.0 1309677 ChemDiv1_001313 Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccccc4F)c(C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L16 compound treatment 0.352 0.002 1.0 0.352 0.002 1.0 -1.0 -1.0 1970895 ChemDiv1_001314 Fc1ccc2NC(=O)/C(=C/3\S/C(=N\c4ccccc4)/N(C3=O)c5ccccc5)/c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L17 compound treatment 0.35 0.0 -1.0 0.365 0.015 1.0 -1.0 -1.0 1641533 ChemDiv1_001315 CN1C(=C(C(NC1=O)c2cc3OCOc3cc2Br)C(=O)OCC=C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L18 compound treatment 0.495 0.145 1.0 0.512 0.162 1.0 -1.0 -1.0 1970896 ChemDiv1_001316 OC1(N2CCOCC2)C(=O)Nc3ccc(cc31)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L19 compound treatment 0.361 0.011 1.0 0.379 0.029 1.0 -1.0 -1.0 1138857 ChemDiv1_001317 CCOc1ccc(cc1Br)C(=O)Nc2ccc(Cl)c(c2)c3nc4ccccc4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L20 compound treatment 0.354 0.004 1.0 0.366 0.016 1.0 -1.0 -1.0 1266559 ChemDiv1_001318 COc1ccc(NC(=O)c2cc(nc3ccccc23)c4ccc(OC)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L21 compound treatment 0.387 0.037 1.0 0.394 0.044 1.0 -1.0 -1.0 1569824 ChemDiv1_001319 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L22 compound treatment 0.34 -0.01 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1602760 ChemDiv1_001320 COc1ccc(cc1)c2cn3cc(Cl)ccc3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 L24 positive control 0.088 -0.262 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M01 compound treatment 0.369 0.019 1.0 0.375 0.025 1.0 -1.0 -1.0 1970897 ChemDiv1_001321 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCCN3CCOCC3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M02 compound treatment 0.419 0.069 1.0 0.424 0.074 1.0 -1.0 -1.0 1510170 ChemDiv1_001322 Brc1ccc(cc1)C2Nc3ccc4ccccc4c3C5C=CCC52 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M03 compound treatment 0.416 0.066 1.0 0.415 0.065 1.0 -1.0 -1.0 1970898 ChemDiv1_001323 COc1ccc(cc1OC)C2=N/C(=C\C(=C\c3ccccc3)\Br)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M04 compound treatment 0.422 0.072 1.0 0.51 0.16 1.0 -1.0 -1.0 1301948 ChemDiv1_001324 C1C=CC2C1C(Nc3ccc4ccccc4c23)c5cccc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M05 compound treatment 0.35 0.0 -1.0 0.354 0.004 1.0 -1.0 -1.0 1408658 ChemDiv1_001325 CC1=C(C(c2ccccc2)n3c(=O)c(=Cc4ccc5OCOc5c4)sc3=N1)C(=O)Nc6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M06 compound treatment 0.418 0.068 1.0 0.42 0.07 1.0 -1.0 -1.0 1970899 ChemDiv1_001326 CCCCCC1CCN2C(C3CC=CC3c4cc(cc1c24)C(=O)O)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M07 compound treatment 0.351 0.001 1.0 0.382 0.032 1.0 -1.0 -1.0 1548049 ChemDiv1_001327 COc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OC3CCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M08 compound treatment 0.366 0.016 1.0 0.417 0.067 1.0 -1.0 -1.0 1570381 ChemDiv1_001328 CCC(=O)N1C(C2CC=CC2c3cc(Cl)ccc13)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M09 compound treatment 0.42 0.07 1.0 0.427 0.077 1.0 -1.0 -1.0 1491927 ChemDiv1_001329 CCOC(=O)c1c(N=c2oc3cc(O)ccc3cc2C(=O)N)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M10 compound treatment 0.356 0.006 1.0 0.362 0.012 1.0 -1.0 -1.0 1970900 ChemDiv1_001330 COCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc(Br)c(O)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M11 compound treatment 0.441 0.091 1.0 0.463 0.113 1.0 -1.0 -1.0 1777860 ChemDiv1_001331 CCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(o4)[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M12 compound treatment 0.359 0.009 1.0 0.354 0.004 1.0 -1.0 -1.0 1271248 ChemDiv1_001332 O=c1oc(nc2sc3CCCCCc3c12)c4ccncc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M13 compound treatment 0.352 0.002 1.0 0.369 0.019 1.0 -1.0 -1.0 1734684 ChemDiv1_001333 CCSc1nnc-2c(OC(Nc3ccccc32)C4CC=C(C)CC4C)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M14 compound treatment 0.452 0.102 1.0 0.464 0.114 1.0 -1.0 -1.0 1970901 ChemDiv1_001334 COc1ccccc1/N=C/2\S/C(=C/3\C(=O)Nc4ccccc34)/C(=O)N2c5ccccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M15 compound treatment 0.384 0.034 1.0 0.388 0.038 1.0 -1.0 -1.0 1970902 ChemDiv1_001335 [O-][N+](=O)c1cc(ccc1Cl)c2ccc(/C=C\3/SC(=N)NC3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M16 compound treatment 0.35 0.0 -1.0 0.351 0.001 1.0 -1.0 -1.0 1311897 ChemDiv1_001336 O=C(NCc1ccccc1)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M17 compound treatment 0.363 0.013 1.0 0.373 0.023 1.0 -1.0 -1.0 1934400 ChemDiv1_001337 [O-][N+](=O)c1cc(Br)ccc1N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M18 compound treatment 0.342 -0.008 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1502070 ChemDiv1_001338 CCc1ccccc1NC(=O)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M19 compound treatment 0.346 -0.004 -1.0 0.353 0.003 1.0 -1.0 -1.0 1339108 ChemDiv1_001339 Clc1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M20 compound treatment 0.347 -0.003 -1.0 0.355 0.005 1.0 -1.0 -1.0 1562779 ChemDiv1_001340 COC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M21 compound treatment 0.354 0.004 1.0 0.364 0.014 1.0 -1.0 -1.0 1196940 ChemDiv1_001341 Clc1ccccc1C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M22 compound treatment 0.357 0.007 1.0 0.368 0.018 1.0 -1.0 -1.0 1941451 ChemDiv1_001342 [O-][N+](=O)c1ccccc1NC(=O)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 M24 positive control 0.092 -0.258 -1.0 0.095 -0.255 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N01 compound treatment 0.364 0.014 1.0 0.37 0.02 1.0 -1.0 -1.0 1970903 ChemDiv1_001343 NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)/C2=O)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N02 compound treatment 0.345 -0.005 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1637735 ChemDiv1_001344 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N03 compound treatment 0.35 0.0 -1.0 0.365 0.015 1.0 -1.0 -1.0 1970904 ChemDiv1_001345 CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccccc3Cl)/SC2=S)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N04 compound treatment 0.358 0.008 1.0 0.369 0.019 1.0 -1.0 -1.0 1164815 ChemDiv1_001346 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)c4ccc(cc4)C(=O)O)c(=O)n2C1c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N05 compound treatment 0.398 0.048 1.0 0.409 0.059 1.0 -1.0 -1.0 1970905 ChemDiv1_001347 COc1ccc(/C=C/2\SC(=S)N(CCC(=O)NN3CCN(C)CC3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N06 compound treatment 0.368 0.018 1.0 0.372 0.022 1.0 -1.0 -1.0 1685991 ChemDiv1_001348 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4OCOc4c3)c(=O)n2C1c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N07 compound treatment 0.366 0.016 1.0 0.374 0.024 1.0 -1.0 -1.0 1121532 ChemDiv1_001349 CCOC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N08 compound treatment 0.413 0.063 1.0 0.409 0.059 1.0 -1.0 -1.0 1387126 ChemDiv1_001350 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N09 compound treatment 0.367 0.017 1.0 0.375 0.025 1.0 -1.0 -1.0 1970906 ChemDiv1_001351 [O-][N+](=O)c1ccc(Cl)c(N/C=C/2\N=C(OC2=O)c3ccccc3Br)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N10 compound treatment 0.408 0.058 1.0 0.423 0.073 1.0 -1.0 -1.0 1970907 ChemDiv1_001352 COc1cc(/C=C/2\SC(=N)NC2=O)ccc1OCc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N11 compound treatment 0.484 0.134 1.0 0.489 0.139 1.0 -1.0 -1.0 1970908 ChemDiv1_001353 COc1ccc(OC)c(/C=C/2\S\C(=N/c3ccccc3Cl)\NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N12 compound treatment 0.499 0.149 1.0 0.455 0.105 1.0 -1.0 -1.0 1614765 ChemDiv1_001354 COc1ccc(OC)c(Nc2nc3nonc3nc2Nc4ccc(F)cc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N13 compound treatment 0.372 0.022 1.0 0.385 0.035 1.0 -1.0 -1.0 1607482 ChemDiv1_001355 CC(C)c1cc(C)ccc1OCCn2c(SCC(=O)N)nc3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N14 compound treatment 0.355 0.005 1.0 0.376 0.026 1.0 -1.0 -1.0 1940586 ChemDiv1_001356 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c3cc(F)c(F)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N15 compound treatment 0.409 0.059 1.0 0.416 0.066 1.0 -1.0 -1.0 1970909 ChemDiv1_001357 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N16 compound treatment 0.431 0.081 1.0 0.439 0.089 1.0 -1.0 -1.0 1970910 ChemDiv1_001358 CCCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N17 compound treatment 0.352 0.002 1.0 0.356 0.006 1.0 -1.0 -1.0 1621030 ChemDiv1_001359 CC(C)COC(=O)C1=C(C)N(C)C(=O)NC1c2cc3OCOc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N18 compound treatment 0.449 0.099 1.0 0.461 0.111 1.0 -1.0 -1.0 1970911 ChemDiv1_001360 OC1(N2CCCCCC2)C(=O)Nc3ccc(cc31)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N19 compound treatment 0.36 0.01 1.0 0.372 0.022 1.0 -1.0 -1.0 1970912 ChemDiv1_001361 COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(SC)cc3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N20 compound treatment 0.355 0.005 1.0 0.36 0.01 1.0 -1.0 -1.0 1392159 ChemDiv1_001362 CC(C)OC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc4CC(C)CCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N21 compound treatment 0.357 0.007 1.0 0.365 0.015 1.0 -1.0 -1.0 1237768 ChemDiv1_001363 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4OCOc4cc3Br)c(=O)n2C1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N22 compound treatment 0.365 0.015 1.0 0.374 0.024 1.0 -1.0 -1.0 1970913 ChemDiv1_001364 [O-][N+](=O)c1ccccc1C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 N24 positive control 0.091 -0.259 -1.0 0.092 -0.258 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O01 compound treatment 0.355 0.005 1.0 0.357 0.007 1.0 -1.0 -1.0 1939402 ChemDiv1_001365 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)N3CCOCC3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O02 compound treatment 0.369 0.019 1.0 0.388 0.038 1.0 -1.0 -1.0 1120040 ChemDiv1_001366 Fc1ccc(cc1)C2Nc3ccc4ccccc4c3C5C=CCC52 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O03 compound treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1970914 ChemDiv1_001367 CCc1nnc(/N=C/2\S/C(=C\C=C\c3ccccc3)/C(=O)N2CC=C)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O04 compound treatment 0.418 0.068 1.0 0.429 0.079 1.0 -1.0 -1.0 1281056 ChemDiv1_001368 OC(=O)c1ccc2NC(C3CC=CC3c2c1)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O05 compound treatment 0.36 0.01 1.0 0.362 0.012 1.0 -1.0 -1.0 1471300 ChemDiv1_001369 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(OC(=O)C)c4ccccc34)c(=O)n2C1c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O06 compound treatment 0.418 0.068 1.0 0.438 0.088 1.0 -1.0 -1.0 1620950 ChemDiv1_001370 Fc1ccc(cc1)C2Nc3ccc(Br)cc3C4C=CCC42 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O07 compound treatment 0.373 0.023 1.0 0.381 0.031 1.0 -1.0 -1.0 1940105 ChemDiv1_001371 CN1C(=C(C(NC1=O)c2ccccc2[N+](=O)[O-])C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O08 compound treatment 0.344 -0.006 -1.0 0.352 0.002 1.0 -1.0 -1.0 1970915 ChemDiv1_001372 CCCCOC(=O)C1=C(C)N(C)C(=O)NC1c2cc3OCOc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O09 compound treatment 0.36 0.01 1.0 0.379 0.029 1.0 -1.0 -1.0 1284310 ChemDiv1_001373 NC(=O)c1cc2cc(Br)ccc2oc1=Nc3sc4CCCCc4c3C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O10 compound treatment 0.342 -0.008 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1730130 ChemDiv1_001374 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Br)cc2)C(=O)Nc3cccc(Cl)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O11 compound treatment 0.367 0.017 1.0 0.37 0.02 1.0 -1.0 -1.0 1261941 ChemDiv1_001375 CCSc1nnc-2c(OC(Nc3ccccc32)c4cc(Br)ccc4OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O12 compound treatment 0.361 0.011 1.0 0.378 0.028 1.0 -1.0 -1.0 1970916 ChemDiv1_001376 Clc1c(sc2ccccc12)C(=O)Nc3ccc(OC(=O)c4sc5ccccc5c4Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O13 compound treatment 0.37 0.02 1.0 0.388 0.038 1.0 -1.0 -1.0 1778646 ChemDiv1_001377 CCSc1nnc-2c(OC(Nc3ccccc32)/C(=C/c4ccccc4)/C)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O14 compound treatment 0.369 0.019 1.0 0.358 0.008 1.0 -1.0 -1.0 1646820 ChemDiv1_001378 Clc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(c1)C(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O15 compound treatment 0.404 0.054 1.0 0.421 0.071 1.0 -1.0 -1.0 1970917 ChemDiv1_001379 Clc1ccc(COc2ccc(/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)cc2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O16 compound treatment 0.356 0.006 1.0 0.36 0.01 1.0 -1.0 -1.0 1733837 ChemDiv1_001380 Cc1ccccc1NC(=O)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O17 compound treatment 0.36 0.01 1.0 0.372 0.022 1.0 -1.0 -1.0 1970918 ChemDiv1_001381 COc1ccc(N2C(=O)C3C(C4CCC3C=C4)C2=O)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O18 compound treatment 0.351 0.001 1.0 0.363 0.013 1.0 -1.0 -1.0 1684578 ChemDiv1_001382 CCc1ccc(NC(=O)C2COc3ccccc3O2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O19 compound treatment 0.366 0.016 1.0 0.372 0.022 1.0 -1.0 -1.0 1389443 ChemDiv1_001383 Clc1ccc(cc1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O20 compound treatment 0.354 0.004 1.0 0.361 0.011 1.0 -1.0 -1.0 1199570 ChemDiv1_001384 COC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O21 compound treatment 0.362 0.012 1.0 0.369 0.019 1.0 -1.0 -1.0 1405180 ChemDiv1_001385 COc1cccc(c1)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O22 compound treatment 0.36 0.01 1.0 0.374 0.024 1.0 -1.0 -1.0 1780319 ChemDiv1_001386 [O-][N+](=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 O24 positive control 0.097 -0.253 -1.0 0.096 -0.254 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P01 compound treatment 0.377 0.027 1.0 0.374 0.024 1.0 -1.0 -1.0 1923594 ChemDiv1_001387 Oc1ccc(cc1NC(=O)CN2C(=O)/C(=C/c3ccccc3)/SC2=S)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P02 compound treatment 0.371 0.021 1.0 0.377 0.027 1.0 -1.0 -1.0 1420444 ChemDiv1_001388 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P03 compound treatment 0.365 0.015 1.0 0.371 0.021 1.0 -1.0 -1.0 1970919 ChemDiv1_001389 NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Cl)/C2=O)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P04 compound treatment 0.497 0.147 1.0 0.485 0.135 1.0 -1.0 -1.0 1529090 ChemDiv1_001390 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)c4ccccc4C(=O)O)c(=O)n2C1c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P05 compound treatment 0.4 0.05 1.0 0.409 0.059 1.0 -1.0 -1.0 1970920 ChemDiv1_001391 Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)/SC2=S)no1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P06 compound treatment 0.445 0.095 1.0 0.444 0.094 1.0 -1.0 -1.0 1209308 ChemDiv1_001392 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P07 compound treatment 0.423 0.073 1.0 0.432 0.082 1.0 -1.0 -1.0 1970921 ChemDiv1_001393 COc1cc(/C=C/2\N=C(OC2=O)c3ccc(C)c(c3)[N+](=O)[O-])cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P08 compound treatment 0.4 0.05 1.0 0.394 0.044 1.0 -1.0 -1.0 1970922 ChemDiv1_001394 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(Oc5ccc(cc5)N6C(=O)C7C8CC(C=C8)C7C6=O)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P09 compound treatment 0.486 0.136 1.0 0.512 0.162 1.0 -1.0 -1.0 1970923 ChemDiv1_001395 [O-][N+](=O)c1cc(N/C=C/2\N=C(OC2=O)c3ccccc3Br)ccc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P10 compound treatment 0.402 0.052 1.0 0.403 0.053 1.0 -1.0 -1.0 1970924 ChemDiv1_001396 CN1C(=O)N(C)C(=O)C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P11 compound treatment 0.432 0.082 1.0 0.429 0.079 1.0 -1.0 -1.0 1970925 ChemDiv1_001397 Cc1cc(C)c(/C=C/2\SC(=S)N(CC(=O)O)C2=O)c(C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P12 compound treatment 0.524 0.174 1.0 0.582 0.232 1.0 -1.0 -1.0 1230982 ChemDiv1_001398 COc1ccc(cc1OC)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P13 compound treatment 0.378 0.028 1.0 0.385 0.035 1.0 -1.0 -1.0 1970926 ChemDiv1_001399 Cc1ccc(OCCSc2nc3ccccc3n2CC(O)CO)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P14 compound treatment 0.401 0.051 1.0 0.407 0.057 1.0 -1.0 -1.0 1663798 ChemDiv1_001400 CCSc1nnc-2c(OC(Nc3ccccc32)c4ccccn4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P15 compound treatment 0.384 0.034 1.0 0.392 0.042 1.0 -1.0 -1.0 1274551 ChemDiv1_001401 Cc1cc2nc(oc2cc1C)c3cccc(NC(=O)c4cccc5c(Br)cccc45)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P16 compound treatment 0.422 0.072 1.0 0.41 0.06 1.0 -1.0 -1.0 1181316 ChemDiv1_001402 CCCSc1nnc-2c(OC(Nc3ccccc32)c4c(C)nn(c4O)c5ccccc5)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P17 compound treatment 0.368 0.018 1.0 0.377 0.027 1.0 -1.0 -1.0 1777936 ChemDiv1_001403 [O-][N+](=O)c1ccc(Cl)cc1n2nc(c3ccc(F)cc3)c4ccccc4c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P18 compound treatment 0.46 0.11 1.0 0.468 0.118 1.0 -1.0 -1.0 1970927 ChemDiv1_001404 OC1(N2CCCCCC2)C(=O)Nc3ccc(Br)cc31 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P19 compound treatment 0.435 0.085 1.0 0.44 0.09 1.0 -1.0 -1.0 1970928 ChemDiv1_001405 COc1cc(/C=C/2\SC(=S)N(C2=O)c3ccc(cc3)[N+](=O)[O-])cc(Br)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P20 compound treatment 0.385 0.035 1.0 0.392 0.042 1.0 -1.0 -1.0 1260587 ChemDiv1_001406 Fc1ccc(NC(=O)c2cc(nc3ccccc23)c4cccs4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P21 compound treatment 0.378 0.028 1.0 0.376 0.026 1.0 -1.0 -1.0 1692295 ChemDiv1_001407 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P22 compound treatment 0.355 0.005 1.0 0.358 0.008 1.0 -1.0 -1.0 1970929 ChemDiv1_001408 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.590 P24 positive control 0.099 -0.251 -1.0 0.098 -0.252 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A01 compound treatment 0.369 0.019 1.0 0.367 0.017 1.0 -1.0 -1.0 1970930 ChemDiv1_001409 Cc1c(N2C(SCC2=O)c3ccc(cc3)[N+](=O)[O-])c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A02 compound treatment 0.367 0.017 1.0 0.373 0.023 1.0 -1.0 -1.0 1970931 ChemDiv1_001410 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)ccc1OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A03 compound treatment 0.353 0.003 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970932 ChemDiv1_001411 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3cc(Br)c(OC(=O)C)c(OC)c3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A04 compound treatment 0.359 0.009 1.0 0.354 0.004 1.0 -1.0 -1.0 1970933 ChemDiv1_001412 [O-][N+](=O)c1cc(Br)c(c2ccc(/C=C\3/NC(=S)NC3=O)o2)c(Br)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A05 compound treatment 0.354 0.004 1.0 0.35 0.0 -1.0 -1.0 -1.0 1970934 ChemDiv1_001413 CSc1nnc-2c(OC(Nc3ccccc32)c4c(C)nn(c4Cl)c5ccccc5)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A06 compound treatment 0.348 -0.002 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1970935 ChemDiv1_001414 COc1ccc(c2ccc(/C=C\3/C(=NN(C3=O)c4ccc(Br)cc4)C)o2)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A07 compound treatment 0.342 -0.008 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970936 ChemDiv1_001415 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4cccs4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A08 compound treatment 0.348 -0.002 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1970937 ChemDiv1_001416 FC(F)(F)c1cccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A09 compound treatment 0.356 0.006 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1970938 ChemDiv1_001417 CCCCSc1nnc-2c(OC(C)(CC)Nc3ccccc32)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A10 compound treatment 0.387 0.037 1.0 0.384 0.034 1.0 -1.0 -1.0 1970939 ChemDiv1_001418 Brc1ccc(cc1)C2=N/C(=C\N3CC4CC(C3)c5cccc(=O)n5C4)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A11 compound treatment 0.372 0.022 1.0 0.366 0.016 1.0 -1.0 -1.0 1970940 ChemDiv1_001419 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4ccco4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A12 compound treatment 0.36 0.01 1.0 0.38 0.03 1.0 -1.0 -1.0 1710890 ChemDiv1_001420 CCOC(=O)c1ccc(N=c2oc3ccccc3cc2C(=O)Nc4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A13 compound treatment 0.352 0.002 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970941 ChemDiv1_001421 COc1cc(/C=C/2\N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-])ccc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A14 compound treatment 0.558 0.208 1.0 0.537 0.187 1.0 -1.0 -1.0 1970942 ChemDiv1_001422 CCOc1ccc2S/C(=C/NCc3ccc(F)cc3)/C(=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A15 compound treatment 0.349 -0.001 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1970943 ChemDiv1_001423 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccccc3)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A16 compound treatment 0.36 0.01 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1926368 ChemDiv1_001424 Oc1ccc(cc1NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)/SC2=S)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A17 compound treatment 0.35 0.0 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970944 ChemDiv1_001425 Clc1ccccc1c2nnc(SCCC3OCCCO3)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A18 compound treatment 0.356 0.006 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970945 ChemDiv1_001426 COc1cc(/C=C/2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A19 compound treatment 0.33 -0.02 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1970946 ChemDiv1_001427 CCCOc1ccc(OCCSc2nc3ccccc3n2CCO)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A20 compound treatment 0.344 -0.006 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1970947 ChemDiv1_001428 Cc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(C)cc3)/SC2=S)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A21 compound treatment 0.345 -0.005 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1970948 ChemDiv1_001429 [O-][N+](=O)c1ccc(o1)C(=O)Nc2ccc(cc2)c3nc4ncccc4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A22 compound treatment 0.4 0.05 1.0 0.378 0.028 1.0 -1.0 -1.0 1938786 ChemDiv1_001430 CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 A24 positive control 0.08 -0.27 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B01 compound treatment 0.377 0.027 1.0 0.371 0.021 1.0 -1.0 -1.0 1970949 ChemDiv1_001431 Brc1ccc2NC(=O)/C(=C/3\SC(=O)N(C3=O)c4ccccc4)/c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B02 compound treatment 0.352 0.002 1.0 0.355 0.005 1.0 -1.0 -1.0 1940293 ChemDiv1_001432 COc1cc(/C=C/2\S\C(=N\c3ccccc3)\NC2=O)ccc1OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B03 compound treatment 0.347 -0.003 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1970950 ChemDiv1_001433 [O-][N+](=O)c1cc(ccc1Cl)C2=N/C(=C\c3cc(Br)ccc3F)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B04 compound treatment 0.344 -0.006 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970951 ChemDiv1_001434 Clc1ccccc1COc2ccccc2/C=C/3\SC(=N)NC3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B05 compound treatment 0.346 -0.004 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1970952 ChemDiv1_001435 CCN1C(=C(C(NC1=O)c2cc(Br)c(O)c(OC)c2)C(=O)OCCOC)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B06 compound treatment 0.355 0.005 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970953 ChemDiv1_001436 CN(C)c1ccc(cc1)c2nc3cc(NC(=O)c4cc(ccc4Br)[N+](=O)[O-])ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B07 compound treatment 0.345 -0.005 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1970954 ChemDiv1_001437 COc1ccc(Br)cc1/C=C\2/N=C(OC2=O)c3cc(Cl)ccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B08 compound treatment 0.379 0.029 1.0 0.375 0.025 1.0 -1.0 -1.0 1970955 ChemDiv1_001438 Cc1ccc2nc(oc2c1)c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B09 compound treatment 0.344 -0.006 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970956 ChemDiv1_001439 CCCCOC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(cc3)C(=O)OC)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B10 compound treatment 0.345 -0.005 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1970957 ChemDiv1_001440 CC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6cccc(c6)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B11 compound treatment 0.39 0.04 1.0 0.357 0.007 1.0 -1.0 -1.0 1939202 ChemDiv1_001441 COc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B12 compound treatment 0.34 -0.01 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1970958 ChemDiv1_001442 O=C1S/C(=C/2\C(=O)N(Cc3ccccc3)c4ccccc24)/C(=O)N1Cc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B13 compound treatment 0.35 0.0 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1970959 ChemDiv1_001443 CC1CCN(CC1)c2cc(N3CCC(C)CC3)c(cc2C=c4sc5nc6ccccc6n5c4=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B14 compound treatment 0.34 -0.01 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1970960 ChemDiv1_001444 COc1cc(/C=C/2\N=C(OC2=O)c3ccc(C)c(C)c3)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B15 compound treatment 0.354 0.004 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1648699 ChemDiv1_001445 Cc1c(Nc2nc3nonc3nc2Nc4cccc(Cl)c4)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B16 compound treatment 0.359 0.009 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970961 ChemDiv1_001446 Fc1ccccc1N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B17 compound treatment 0.357 0.007 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1970962 ChemDiv1_001447 Clc1ccc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c(n2)c6ccccc6)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B18 compound treatment 0.356 0.006 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1970963 ChemDiv1_001448 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(Br)cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B19 compound treatment 0.339 -0.011 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1779025 ChemDiv1_001449 Cc1c(C)c(ccc1[N+](=O)[O-])c2ccc(o2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B20 compound treatment 0.346 -0.004 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1424093 ChemDiv1_001450 Nc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(c4cccs4)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B21 compound treatment 0.35 0.0 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970964 ChemDiv1_001451 COc1cc(/C=C/2\SC(=O)NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B22 compound treatment 0.342 -0.008 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1970965 ChemDiv1_001452 Fc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 B24 positive control 0.077 -0.273 -1.0 0.078 -0.272 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C01 compound treatment 0.37 0.02 1.0 0.364 0.014 1.0 -1.0 -1.0 1970966 ChemDiv1_001453 CCOc1ccc(cc1)C(=O)C(C)Sc2nnc(o2)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C02 compound treatment 0.348 -0.002 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1970967 ChemDiv1_001454 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C03 compound treatment 0.35 0.0 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1350375 ChemDiv1_001455 COC(=O)c1ccc(cc1)C2Nc3ccccc3-c4nnc(SC)nc4O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C04 compound treatment 0.353 0.003 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970968 ChemDiv1_001456 COc1cc(/C=C/2\C(=NN(C2=O)c3ccc(Cl)c(Cl)c3)C)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C05 compound treatment 0.342 -0.008 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1970969 ChemDiv1_001457 OC1(CC(=NN1c2cccc3cccnc23)c4ccccc4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C06 compound treatment 0.356 0.006 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1970970 ChemDiv1_001458 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3cccc(c3)[N+](=O)[O-])c4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C07 compound treatment 0.367 0.017 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1970971 ChemDiv1_001459 CCCCSc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccco4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C08 compound treatment 0.389 0.039 1.0 0.367 0.017 1.0 -1.0 -1.0 1970972 ChemDiv1_001460 CC(=O)Nc1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C09 compound treatment 0.356 0.006 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1970973 ChemDiv1_001461 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4cc(Br)c(O)c(OC)c4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C10 compound treatment 0.341 -0.009 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1970974 ChemDiv1_001462 Brc1ccc(cc1)C2=N/C(=C\Nc3nc4ccccc4s3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C11 compound treatment 0.381 0.031 1.0 0.357 0.007 1.0 -1.0 -1.0 1970975 ChemDiv1_001463 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C12 compound treatment 0.361 0.011 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1321338 ChemDiv1_001464 CCN(CC)c1ccc2cc(C(=O)NC(=O)C)c(=Nc3ccccc3OC)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C13 compound treatment 0.355 0.005 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1970976 ChemDiv1_001465 COc1ccc(/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)cc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C14 compound treatment 0.61 0.26 1.0 0.599 0.249 1.0 -1.0 -1.0 1970977 ChemDiv1_001466 CCOc1ccc2S/C(=C/NCCc3ccccn3)/C(=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C15 compound treatment 0.355 0.005 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1970978 ChemDiv1_001467 CCOc1cc(/C=C/2\N=C(OC2=O)c3cccc(C)c3)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C16 compound treatment 0.413 0.063 1.0 0.391 0.041 1.0 -1.0 -1.0 1970979 ChemDiv1_001468 Oc1ccc(cc1NC(=O)CN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)/C2=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C17 compound treatment 0.372 0.022 1.0 0.352 0.002 1.0 -1.0 -1.0 1673693 ChemDiv1_001469 COc1ccccc1C(=O)Nc2ccc(cc2)c3nc4c(ccc5ccccc45)o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C18 compound treatment 0.351 0.001 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1939649 ChemDiv1_001470 [O-][N+](=O)c1ccccc1C(=O)NN2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C19 compound treatment 0.342 -0.008 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1970980 ChemDiv1_001471 Cc1ccc2oc(nc2c1)c3cc(NC(=O)c4ccc(cc4)C(C)(C)C)ccc3OC(=O)c5ccc(cc5)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C20 compound treatment 0.361 0.011 1.0 0.351 0.001 1.0 -1.0 -1.0 1970981 ChemDiv1_001472 Cc1c(NC(=O)CN2C(=O)/C(=C/c3ccc(C)cc3)/SC2=S)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C21 compound treatment 0.343 -0.007 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1970982 ChemDiv1_001473 COC(=O)c1cc(ccc1Cl)c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C22 compound treatment 0.347 -0.003 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1937130 ChemDiv1_001474 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 C24 positive control 0.079 -0.271 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D01 compound treatment 0.383 0.033 1.0 0.38 0.03 1.0 -1.0 -1.0 1938460 ChemDiv1_001475 Brc1ccc(/C=C/2\SC(=S)N(CC(=O)Nc3nccs3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D02 compound treatment 0.368 0.018 1.0 0.364 0.014 1.0 -1.0 -1.0 1970983 ChemDiv1_001476 [O-][N+](=O)c1ccccc1c2ccc(/C=C/3\S\C(=N\c4ccccc4)\NC3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D03 compound treatment 0.364 0.014 1.0 0.355 0.005 1.0 -1.0 -1.0 1970984 ChemDiv1_001477 [O-][N+](=O)c1ccc(cc1)N2CCN(CC2)/C=C/3\N=C(OC3=O)c4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D04 compound treatment 0.456 0.106 1.0 0.464 0.114 1.0 -1.0 -1.0 1970985 ChemDiv1_001478 Oc1ccc(/C=C/2\S\C(=N\c3ccccc3Cl)\NC2=O)cc1[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D05 compound treatment 0.359 0.009 1.0 0.33 -0.02 -1.0 -1.0 -1.0 1970986 ChemDiv1_001479 Oc1cc(NC(=O)c2nn3c(cc(nc3c2Cl)c4cccs4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D06 compound treatment 0.354 0.004 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1970987 ChemDiv1_001480 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4ccc(F)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D07 compound treatment 0.349 -0.001 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1970988 ChemDiv1_001481 COc1ccc2ccccc2c1/C=C\3/N=C(OC3=O)c4ccc(Cl)c(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D08 compound treatment 0.337 -0.013 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1456110 ChemDiv1_001482 Cc1cc(C)c2oc(nc2c1)c3cccc(NC(=O)c4cc(Br)ccc4Cl)c3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D09 compound treatment 0.333 -0.017 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1778514 ChemDiv1_001483 [O-][N+](=O)c1cccc(c1)C2Nc3ccccc3C(=O)N2c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D10 compound treatment 0.338 -0.012 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1718421 ChemDiv1_001484 CCOC(=O)CC1NCCc2c1[nH]c3ccc(OC)cc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D11 compound treatment 0.344 -0.006 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1779831 ChemDiv1_001485 COc1ccc(cc1c2ccc(C=c3sc4nc5cc(C)c(C)cc5n4c3=O)o2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D12 compound treatment 0.353 0.003 1.0 0.314 -0.036 -1.0 -1.0 -1.0 1970989 ChemDiv1_001486 COc1ccc(/C=C/2\SC(=O)N(CC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D13 compound treatment 0.342 -0.008 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1594691 ChemDiv1_001487 CC1CCN(CC1)c2nc3nonc3nc2Nc4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D14 compound treatment 0.35 0.0 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1970990 ChemDiv1_001488 CCCCOc1ccc(cc1)C2=N/C(=C\c3cc(OC)c(OC)c(OC)c3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D15 compound treatment 0.3 -0.05 -1.0 0.28 -0.07 -1.0 -1.0 -1.0 1563015 ChemDiv1_001489 Fc1cccc(Cl)c1COc2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D16 compound treatment 0.338 -0.012 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1923526 ChemDiv1_001490 Fc1ccc(cc1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D17 compound treatment 0.359 0.009 1.0 0.356 0.006 1.0 -1.0 -1.0 1571511 ChemDiv1_001491 COc1cc(ccc1OCc2c(F)cccc2Cl)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D18 compound treatment 0.364 0.014 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1970991 ChemDiv1_001492 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3c(C)cc(C)cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D19 compound treatment 0.346 -0.004 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1628991 ChemDiv1_001493 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(OCC(=O)O)cc4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D20 compound treatment 0.331 -0.019 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1970992 ChemDiv1_001494 COc1ccc(OC)c(/C=C(/C#N)\c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D21 compound treatment 0.34 -0.01 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1970993 ChemDiv1_001495 COc1cc(/C=C/2\SC(=O)N(C)C2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D22 compound treatment 0.329 -0.021 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1970994 ChemDiv1_001496 Cc1ccc(s1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 D24 positive control 0.08 -0.27 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E01 compound treatment 0.374 0.024 1.0 0.363 0.013 1.0 -1.0 -1.0 1970995 ChemDiv1_001497 COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c3ccc(OCc4ccccc4)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E02 compound treatment 0.361 0.011 1.0 0.357 0.007 1.0 -1.0 -1.0 1970996 ChemDiv1_001498 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3cc(ccc3Cl)[N+](=O)[O-])c4ccc(Cl)c(c4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E03 compound treatment 0.368 0.018 1.0 0.367 0.017 1.0 -1.0 -1.0 1777012 ChemDiv1_001499 CSc1nnc-2c(OC(Nc3ccccc32)c4ccc(o4)[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E04 compound treatment 0.342 -0.008 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1970997 ChemDiv1_001500 CCOc1cc(/C=C/2\C(=NN(C2=O)c3ccc(Cl)c(Cl)c3)C)ccc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E05 compound treatment 0.34 -0.01 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1354321 ChemDiv1_001501 CSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4Br)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E06 compound treatment 0.344 -0.006 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1970998 ChemDiv1_001502 COc1ccc(c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(Br)c4)C)o2)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E07 compound treatment 0.359 0.009 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1970999 ChemDiv1_001503 CCCCSc1nnc-2c(OC3(CCCCC3)Nc4ccccc42)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E08 compound treatment 0.481 0.131 1.0 0.464 0.114 1.0 -1.0 -1.0 1971000 ChemDiv1_001504 OC(=O)c1ccc(Cl)cc1N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E09 compound treatment 0.362 0.012 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1939372 ChemDiv1_001505 CCCCSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(F)cc53)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E10 compound treatment 0.393 0.043 1.0 0.355 0.005 1.0 -1.0 -1.0 1971001 ChemDiv1_001506 CCOC(=O)Cc1csc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E11 compound treatment 0.337 -0.013 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1971002 ChemDiv1_001507 CC(C)C(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)OCC(=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E12 compound treatment 0.368 0.018 1.0 0.357 0.007 1.0 -1.0 -1.0 1357519 ChemDiv1_001508 COc1ccccc1N=c2oc3cc(OC(=O)C)ccc3cc2C(=O)NC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E13 compound treatment 0.356 0.006 1.0 0.315 -0.035 -1.0 -1.0 -1.0 1971003 ChemDiv1_001509 COc1ccc(/C=C/2\N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-])cc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E14 compound treatment 0.559 0.209 1.0 0.538 0.188 1.0 -1.0 -1.0 1971004 ChemDiv1_001510 CCCCCN/C=C\1/Sc2ccc(OCC)cc2C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E15 compound treatment 0.389 0.039 1.0 0.351 0.001 1.0 -1.0 -1.0 1971005 ChemDiv1_001511 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccc(C)cc3)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E16 compound treatment 0.332 -0.018 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1971006 ChemDiv1_001512 Clc1cccc(Cl)c1/C=C/2\SC(=O)N(CC(=O)Nc3cccnc3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E17 compound treatment 0.351 0.001 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971007 ChemDiv1_001513 [O-][N+](=O)c1ccc(Br)c(c1)C(=O)Nc2ccc(cc2)c3nc4cc(Cl)ccc4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E18 compound treatment 0.41 0.06 1.0 0.406 0.056 1.0 -1.0 -1.0 1971008 ChemDiv1_001514 COc1ccccc1/C=C/2\SC(=S)N(CCC(=O)Nc3sc4CCCCc4c3C(=O)N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E19 compound treatment 0.356 0.006 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1464314 ChemDiv1_001515 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E20 compound treatment 0.329 -0.021 -1.0 0.38 0.03 1.0 -1.0 -1.0 1971009 ChemDiv1_001516 Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)/SC2=S)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E21 compound treatment 0.345 -0.005 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971010 ChemDiv1_001517 CCOC(=O)c1cc(ccc1Cl)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E22 compound treatment 0.414 0.064 1.0 0.408 0.058 1.0 -1.0 -1.0 1936946 ChemDiv1_001518 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 E24 positive control 0.084 -0.266 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F01 compound treatment 0.43 0.08 1.0 0.392 0.042 1.0 -1.0 -1.0 1951320 ChemDiv1_001519 Cc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F02 compound treatment 0.336 -0.014 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971011 ChemDiv1_001520 COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F03 compound treatment 0.393 0.043 1.0 0.382 0.032 1.0 -1.0 -1.0 1971012 ChemDiv1_001521 OC(=O)c1cc(Br)ccc1N/C=C/2\N=C(OC2=O)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F04 compound treatment 0.399 0.049 1.0 0.373 0.023 1.0 -1.0 -1.0 1971013 ChemDiv1_001522 COc1ccc(/C=C/2\SC(=S)N(CC=C)C2=O)cc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F05 compound treatment 0.397 0.047 1.0 0.386 0.036 1.0 -1.0 -1.0 1971014 ChemDiv1_001523 COc1cc(/C=C\2/N=C(OC2=O)c3ccccc3Br)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F06 compound treatment 0.356 0.006 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971015 ChemDiv1_001524 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4ccc(F)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F07 compound treatment 0.363 0.013 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971016 ChemDiv1_001525 COc1cc(/C=C\2/N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-])cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F08 compound treatment 0.362 0.012 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1633314 ChemDiv1_001526 Oc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F09 compound treatment 0.369 0.019 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971017 ChemDiv1_001527 Clc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)c3ccc4ccccc4c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F10 compound treatment 0.347 -0.003 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971018 ChemDiv1_001528 Brc1ccc2NC(=O)/C(=C/3\SC(=O)N(Cc4ccccc4)C3=O)/c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F11 compound treatment 0.355 0.005 1.0 0.32 -0.03 -1.0 -1.0 -1.0 1370321 ChemDiv1_001529 CCOc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCc5ccc(Cl)cc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F12 compound treatment 0.339 -0.011 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1922117 ChemDiv1_001530 O=C(CCN1C(=O)/C(=C/2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)/SC1=S)Nc4nccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F13 compound treatment 0.345 -0.005 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1673024 ChemDiv1_001531 Cc1ccc2c(nc3sc(=Cc4ccccc4OCc5ccc(Cl)cc5Cl)c(=O)n32)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F14 compound treatment 0.352 0.002 1.0 0.319 -0.031 -1.0 -1.0 -1.0 1971019 ChemDiv1_001532 CCCCOc1ccc(cc1)C2=N/C(=C\c3cc(OC)c(OC)cc3OC)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F15 compound treatment 0.345 -0.005 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1127619 ChemDiv1_001533 COc1ccc(OC)c(Nc2nc3nonc3nc2N4CCCCC4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F16 compound treatment 0.351 0.001 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971020 ChemDiv1_001534 FC(F)(F)c1cccc(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F17 compound treatment 0.331 -0.019 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1316313 ChemDiv1_001535 COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCc5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F18 compound treatment 0.364 0.014 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971021 ChemDiv1_001536 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F19 compound treatment 0.333 -0.017 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1971022 ChemDiv1_001537 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(=O)c3cc(F)c(F)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F20 compound treatment 0.353 0.003 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971023 ChemDiv1_001538 COc1cc(/C=C(/C#N)\c2nc(cs2)c3cc4c(ccc5ccccc54)oc3=O)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F21 compound treatment 0.324 -0.026 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1971024 ChemDiv1_001539 COc1cc(/C=C/2\NC(=S)NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F22 compound treatment 0.335 -0.015 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971025 ChemDiv1_001540 Clc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 F24 positive control 0.084 -0.266 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G01 compound treatment 0.379 0.029 1.0 0.371 0.021 1.0 -1.0 -1.0 1971026 ChemDiv1_001541 COc1cc(/C=C/2\N=C(OC2=O)c3ccccc3F)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G02 compound treatment 0.493 0.143 1.0 0.478 0.128 1.0 -1.0 -1.0 1971027 ChemDiv1_001542 COc1cc(/C=C/2\Sc3ccccc3C2=O)cc([N+](=O)[O-])c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G03 compound treatment 0.357 0.007 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1141968 ChemDiv1_001543 CSc1nnc-2c(OC(Nc3ccccc32)c4cccs4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G04 compound treatment 0.36 0.01 1.0 0.352 0.002 1.0 -1.0 -1.0 1971028 ChemDiv1_001544 COc1cc(/C=C/2\C(=NN(C2=O)c3ccc(cc3)C(=O)C)C)ccc1OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G05 compound treatment 0.345 -0.005 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1267976 ChemDiv1_001545 COc1cc(cc(Br)c1O)C2Nc3ccccc3-c4nnc(SC)nc4O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G06 compound treatment 0.359 0.009 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971029 ChemDiv1_001546 COc1ccc(cc1[N+](=O)[O-])c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(Br)c4)C)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G07 compound treatment 0.375 0.025 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971030 ChemDiv1_001547 CCCCSc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccccc4[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G08 compound treatment 0.372 0.022 1.0 0.352 0.002 1.0 -1.0 -1.0 1971031 ChemDiv1_001548 Cc1ccc(cc1N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G09 compound treatment 0.33 -0.02 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1971032 ChemDiv1_001549 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4Cl)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G10 compound treatment 0.358 0.008 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971033 ChemDiv1_001550 CCOc1ccc2nc(N/C=C/3\N=C(OC3=O)c4ccc(Br)cc4)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G11 compound treatment 0.332 -0.018 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1971034 ChemDiv1_001551 OC(=O)C(CCCCN1C(=O)C2C3CC(C=C3)C2C1=O)N4C(=O)C5C6CC(C=C6)C5C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G12 compound treatment 0.352 0.002 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1458887 ChemDiv1_001552 COc1ccc2oc(=Nc3ccc(Cl)cc3Cl)c(cc2c1)C(=O)NC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G13 compound treatment 0.36 0.01 1.0 0.351 0.001 1.0 -1.0 -1.0 1971035 ChemDiv1_001553 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)ccc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G14 compound treatment 0.489 0.139 1.0 0.446 0.096 1.0 -1.0 -1.0 1971036 ChemDiv1_001554 CCOc1ccc2S/C(=C/NCc3ccc(OC)cc3)/C(=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G15 compound treatment 0.356 0.006 1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971037 ChemDiv1_001555 CCOc1cc(/C=C/2\N=C(OC2=O)c3cccc(F)c3)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G16 compound treatment 0.333 -0.017 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1971038 ChemDiv1_001556 CN1CCN(CC1)NC(=O)CN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G17 compound treatment 0.324 -0.026 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1971039 ChemDiv1_001557 [O-][N+](=O)c1ccc(Br)c(c1)C(=O)Nc2ccc3oc(nc3c2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G18 compound treatment 0.335 -0.015 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1971040 ChemDiv1_001558 CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(OC)cc3)/SC2=S)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G19 compound treatment 0.334 -0.016 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1731773 ChemDiv1_001559 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G20 compound treatment 0.337 -0.013 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971041 ChemDiv1_001560 Cc1c(NC(=O)CCN2C(=O)/C(=C/c3c(Cl)cccc3Cl)/SC2=S)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G21 compound treatment 0.334 -0.016 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1923605 ChemDiv1_001561 CCOC(=O)c1cc(ccc1Cl)c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G22 compound treatment 0.596 0.246 1.0 0.581 0.231 1.0 -1.0 -1.0 1971042 ChemDiv1_001562 OC(=O)CN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 G24 positive control 0.085 -0.265 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H01 compound treatment 0.577 0.227 1.0 0.556 0.206 1.0 -1.0 -1.0 1937878 ChemDiv1_001563 CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H02 compound treatment 0.47 0.12 1.0 0.462 0.112 1.0 -1.0 -1.0 1929709 ChemDiv1_001564 OC(=O)CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3I)cc2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H03 compound treatment 0.371 0.021 1.0 0.357 0.007 1.0 -1.0 -1.0 1971043 ChemDiv1_001565 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3cc(OC)c(OC)c(OC)c3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H04 compound treatment 0.358 0.008 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1940924 ChemDiv1_001566 COc1ccccc1NCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H05 compound treatment 0.362 0.012 1.0 0.355 0.005 1.0 -1.0 -1.0 1971044 ChemDiv1_001567 [O-][N+](=O)c1cccc(/C=C/C/2=N/C(=C/Nc3cc(Cl)ccc3Cl)/C(=O)O2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H06 compound treatment 0.373 0.023 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971045 ChemDiv1_001568 CN(C)c1ccc(cc1)c2nc3cc(NC(=O)c4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H07 compound treatment 0.358 0.008 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1249283 ChemDiv1_001569 O=c1oc(nc2sc(c(Cc3ccccc3)c12)c4ccccc4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H08 compound treatment 0.371 0.021 1.0 0.357 0.007 1.0 -1.0 -1.0 1388936 ChemDiv1_001570 Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H09 compound treatment 0.384 0.034 1.0 0.353 0.003 1.0 -1.0 -1.0 1971046 ChemDiv1_001571 CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(cc3)[N+](=O)[O-])CC2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H10 compound treatment 0.331 -0.019 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1971047 ChemDiv1_001572 CN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3)C2=O)/c4cc(Br)ccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H11 compound treatment 0.35 0.0 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1696073 ChemDiv1_001573 COc1cc(C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4)c(Br)cc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H12 compound treatment 0.487 0.137 1.0 0.479 0.129 1.0 -1.0 -1.0 1971048 ChemDiv1_001574 Cc1c(N2C(=O)/C(=C\3/C(=O)N(CC(=O)O)c4ccccc34)/SC2=S)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H13 compound treatment 0.385 0.035 1.0 0.381 0.031 1.0 -1.0 -1.0 1239511 ChemDiv1_001575 COc1ccccc1Nc2nc3nonc3nc2Nc4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H14 compound treatment 0.361 0.011 1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971049 ChemDiv1_001576 CCCCOc1ccc(cc1)C2=N/C(=C\c3ccc(OC)c(OC(=O)C)c3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H15 compound treatment 0.338 -0.012 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1225400 ChemDiv1_001577 Cc1cc(C)n(n1)c2nc3nonc3nc2Nc4cccc(C)c4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H16 compound treatment 0.337 -0.013 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1971050 ChemDiv1_001578 CCOc1ccc(N2C(=O)C3C(C4CCC3C=C4)C2=O)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H17 compound treatment 0.37 0.02 1.0 0.365 0.015 1.0 -1.0 -1.0 1429629 ChemDiv1_001579 COc1ccccc1Nc2nc3nonc3nc2Nc4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H18 compound treatment 0.333 -0.017 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1971051 ChemDiv1_001580 Clc1ccc(Sc2c(nc3ccccn23)c4ccc(Br)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H19 compound treatment 0.325 -0.025 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1971052 ChemDiv1_001581 CC(=O)/N=C/1\NC(=O)\C(=C\c2ccc(o2)c3ccc(C)c(Cl)c3)\S1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H20 compound treatment 0.32 -0.03 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1971053 ChemDiv1_001582 Oc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H21 compound treatment 0.339 -0.011 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1927163 ChemDiv1_001583 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Oc3ccc(cn3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H22 compound treatment 0.342 -0.008 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971054 ChemDiv1_001584 Cc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 H24 positive control 0.084 -0.266 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I01 compound treatment 0.392 0.042 1.0 0.384 0.034 1.0 -1.0 -1.0 1971055 ChemDiv1_001585 Cc1onc(c1C2=N/C(=C\c3ccc(Br)cc3)/C(=O)O2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I02 compound treatment 0.442 0.092 1.0 0.43 0.08 1.0 -1.0 -1.0 1971056 ChemDiv1_001586 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)cc([N+](=O)[O-])c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I03 compound treatment 0.394 0.044 1.0 0.388 0.038 1.0 -1.0 -1.0 1971057 ChemDiv1_001587 CSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(cc53)[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I04 compound treatment 0.365 0.015 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971058 ChemDiv1_001588 COc1ccc(cc1[N+](=O)[O-])c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(Cl)c4)C)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I05 compound treatment 0.355 0.005 1.0 0.352 0.002 1.0 -1.0 -1.0 1435908 ChemDiv1_001589 CSc1nnc-2c(OC(Nc3ccccc32)c4c[nH]c5ccccc45)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I06 compound treatment 0.393 0.043 1.0 0.381 0.031 1.0 -1.0 -1.0 1971059 ChemDiv1_001590 Brc1cc(Br)c(OCC=C)c(/C=C/2\NC(=S)NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I07 compound treatment 0.343 -0.007 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1971060 ChemDiv1_001591 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4Br)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I08 compound treatment 0.357 0.007 1.0 0.354 0.004 1.0 -1.0 -1.0 1971061 ChemDiv1_001592 COc1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I09 compound treatment 0.361 0.011 1.0 0.352 0.002 1.0 -1.0 -1.0 1939339 ChemDiv1_001593 CCCCSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(Br)cc53)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I10 compound treatment 0.357 0.007 1.0 0.357 0.007 1.0 -1.0 -1.0 1971062 ChemDiv1_001594 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I11 compound treatment 0.345 -0.005 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971063 ChemDiv1_001595 COC(=O)C(CCCCN1C(=O)C2C3CC(C=C3)C2C1=O)N4C(=O)C5C6CC(C=C6)C5C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I12 compound treatment 0.378 0.028 1.0 0.373 0.023 1.0 -1.0 -1.0 1340784 ChemDiv1_001596 COc1cccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(Cl)cc3Cl)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I13 compound treatment 0.358 0.008 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971064 ChemDiv1_001597 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-])ccc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I14 compound treatment 0.338 -0.012 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1971065 ChemDiv1_001598 Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)/SC3=S)s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I15 compound treatment 0.38 0.03 1.0 0.366 0.016 1.0 -1.0 -1.0 1971066 ChemDiv1_001599 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccc(F)cc3)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I16 compound treatment 0.362 0.012 1.0 0.363 0.013 1.0 -1.0 -1.0 1926317 ChemDiv1_001600 Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)/SC2=S)no1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I17 compound treatment 0.352 0.002 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971067 ChemDiv1_001601 [O-][N+](=O)c1ccc(Br)c(c1)C(=O)Nc2ccc3oc(nc3c2)c4ccncc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I18 compound treatment 0.382 0.032 1.0 0.372 0.022 1.0 -1.0 -1.0 1971068 ChemDiv1_001602 COc1ccccc1/C=C/2\SC(=O)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I19 compound treatment 0.355 0.005 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1553634 ChemDiv1_001603 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I20 compound treatment 0.363 0.013 1.0 0.351 0.001 1.0 -1.0 -1.0 1936743 ChemDiv1_001604 Cc1c(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)/SC2=S)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I21 compound treatment 0.336 -0.014 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1971069 ChemDiv1_001605 COc1ccc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I22 compound treatment 0.343 -0.007 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971070 ChemDiv1_001606 NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)/C2=O)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 I24 positive control 0.086 -0.264 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J01 compound treatment 0.401 0.051 1.0 0.39 0.04 1.0 -1.0 -1.0 1971071 ChemDiv1_001607 CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J02 compound treatment 0.338 -0.012 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971072 ChemDiv1_001608 Cc1cc(ccc1[N+](=O)[O-])c2ccc(/C=C/3\SC(=S)N(CC(=O)O)C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J03 compound treatment 0.339 -0.011 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971073 ChemDiv1_001609 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3cc(OC)c(OC)cc3OC)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J04 compound treatment 0.359 0.009 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971074 ChemDiv1_001610 COc1ccc(/C=C\2/SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J05 compound treatment 0.354 0.004 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971075 ChemDiv1_001611 COc1cc(cc(OC)c1OC)C2=N/C(=C\c3cccc(Br)c3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J06 compound treatment 0.378 0.028 1.0 0.361 0.011 1.0 -1.0 -1.0 1971076 ChemDiv1_001612 CN(C)c1ccc(cc1)c2nc3cc(NC(=O)c4ccc(Cl)c(c4)[N+](=O)[O-])ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J07 compound treatment 0.339 -0.011 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1971077 ChemDiv1_001613 CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc23)ccc1OC(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J08 compound treatment 0.372 0.022 1.0 0.392 0.042 1.0 -1.0 -1.0 1971078 ChemDiv1_001614 Cc1cc(C)c2oc(nc2c1)c3ccc(NC(=O)c4cc(ccc4Cl)[N+](=O)[O-])cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J09 compound treatment 0.37 0.02 1.0 0.36 0.01 1.0 -1.0 -1.0 1971079 ChemDiv1_001615 Fc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)C(=O)c3ccc(Br)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J10 compound treatment 0.349 -0.001 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971080 ChemDiv1_001616 CCOC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3ccc(Br)cc3)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J11 compound treatment 0.352 0.002 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1554593 ChemDiv1_001617 Cc1cc2nc3sc(=Cc4cc5OCOc5cc4Br)c(=O)n3c2cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J12 compound treatment 0.351 0.001 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971081 ChemDiv1_001618 FC(F)(F)c1cccc(CC2S/C(=N\c3ccc(Br)cc3)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J13 compound treatment 0.353 0.003 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1309228 ChemDiv1_001619 CCOc1cc(ccc1OCc2ccc(Cl)cc2Cl)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J14 compound treatment 0.343 -0.007 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971082 ChemDiv1_001620 CCCCOc1ccc(cc1)C2=N/C(=C\c3ccc(OC(=O)C)c(OC)c3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J15 compound treatment 0.346 -0.004 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1935200 ChemDiv1_001621 COc1cc(cc(Br)c1OC)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J16 compound treatment 0.34 -0.01 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1971083 ChemDiv1_001622 CCc1ccccc1N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J17 compound treatment 0.329 -0.021 -1.0 0.3 -0.05 -1.0 -1.0 -1.0 1226599 ChemDiv1_001623 Oc1ccc(Nc2nc3nonc3nc2Nc4cccc(Br)c4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J18 compound treatment 0.344 -0.006 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1936306 ChemDiv1_001624 OC(=O)CSc1nncc2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J19 compound treatment 0.343 -0.007 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971084 ChemDiv1_001625 CN1C(=O)N(C)C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c4ccccc24)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J20 compound treatment 0.368 0.018 1.0 0.359 0.009 1.0 -1.0 -1.0 1222782 ChemDiv1_001626 CCOc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J21 compound treatment 0.32 -0.03 -1.0 0.303 -0.047 -1.0 -1.0 -1.0 1971085 ChemDiv1_001627 CN1C(=O)N(C)C(=O)C(=Cc2ccc(Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J22 compound treatment 0.317 -0.033 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1971086 ChemDiv1_001628 COc1cc(ccc1O)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 J24 positive control 0.087 -0.263 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K01 compound treatment 0.385 0.035 1.0 0.386 0.036 1.0 -1.0 -1.0 1971087 ChemDiv1_001629 COc1ccc(Cl)cc1C2=N/C(=C\Nc3ccc(Br)cc3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K02 compound treatment 0.339 -0.011 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971088 ChemDiv1_001630 COc1cc(Br)c(/C=C\2/C(=NN(C2=O)c3cccc(Cl)c3)C)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K03 compound treatment 0.366 0.016 1.0 0.37 0.02 1.0 -1.0 -1.0 1142965 ChemDiv1_001631 CSc1nnc-2c(OC3(Nc4ccccc42)C(=O)Nc5ccc(Br)cc53)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K04 compound treatment 0.387 0.037 1.0 0.394 0.044 1.0 -1.0 -1.0 1971089 ChemDiv1_001632 COc1cc(/C=C/2\C(=NN(C2=O)c3ccc(Br)cc3)C)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K05 compound treatment 0.334 -0.016 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971090 ChemDiv1_001633 CSc1nnc-2c(OC(Nc3ccccc32)c4ccccc4C(F)(F)F)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K06 compound treatment 0.393 0.043 1.0 0.41 0.06 1.0 -1.0 -1.0 1971091 ChemDiv1_001634 [O-][N+](=O)c1ccc(c2ccc(/C=C\3/NC(=S)NC3=O)o2)c(Br)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K07 compound treatment 0.359 0.009 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971092 ChemDiv1_001635 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4ccccn4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K08 compound treatment 0.371 0.021 1.0 0.367 0.017 1.0 -1.0 -1.0 1971093 ChemDiv1_001636 Cc1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K09 compound treatment 0.381 0.031 1.0 0.368 0.018 1.0 -1.0 -1.0 1971094 ChemDiv1_001637 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4c(C)nn(c4O)c5ccccc5)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K10 compound treatment 0.35 0.0 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1940695 ChemDiv1_001638 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4cc(Br)ccc34)C(C2)c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K11 compound treatment 0.347 -0.003 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1234726 ChemDiv1_001639 CC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)OCC(=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K12 compound treatment 0.406 0.056 1.0 0.415 0.065 1.0 -1.0 -1.0 1711162 ChemDiv1_001640 CC(=O)NC(=O)c1cc2ccc(OC(=O)C)cc2oc1=Nc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K13 compound treatment 0.359 0.009 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971095 ChemDiv1_001641 CCOc1cc(/C=C/2\N=C(OC2=O)c3cc(F)c(F)cc3Cl)ccc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K14 compound treatment 0.334 -0.016 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1926429 ChemDiv1_001642 Fc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K15 compound treatment 0.342 -0.008 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971096 ChemDiv1_001643 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccccc3Cl)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K16 compound treatment 0.371 0.021 1.0 0.395 0.045 1.0 -1.0 -1.0 1971097 ChemDiv1_001644 [O-][N+](=O)c1ccccc1/C=C/2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K17 compound treatment 0.353 0.003 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971098 ChemDiv1_001645 Cc1cc2nc(oc2cc1C)c3cccc(NC(=O)c4cc(ccc4Br)[N+](=O)[O-])c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K18 compound treatment 0.33 -0.02 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971099 ChemDiv1_001646 Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)/SC2=S)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K19 compound treatment 0.365 0.015 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1162246 ChemDiv1_001647 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K20 compound treatment 0.346 -0.004 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971100 ChemDiv1_001648 CCN(CC)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K21 compound treatment 0.347 -0.003 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971101 ChemDiv1_001649 COc1ccc(Br)cc1/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K22 compound treatment 0.342 -0.008 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1971102 ChemDiv1_001650 COc1cccc(/C=C/2\SC(=S)N(CCC(=O)N3c4ccccc4Sc5ccccc35)C2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 K24 positive control 0.092 -0.258 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L01 compound treatment 0.436 0.086 1.0 0.437 0.087 1.0 -1.0 -1.0 1971103 ChemDiv1_001651 COc1ccccc1/C=C/2\SC(=S)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L02 compound treatment 0.648 0.298 1.0 0.638 0.288 1.0 -1.0 -1.0 1923725 ChemDiv1_001652 COc1cc(/C=C/2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L03 compound treatment 0.465 0.115 1.0 0.452 0.102 1.0 -1.0 -1.0 1971104 ChemDiv1_001653 COc1ccc(/C=C/2\N=C(OC2=O)c3ccc(OC)c(c3)[N+](=O)[O-])cc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L04 compound treatment 0.375 0.025 1.0 0.378 0.028 1.0 -1.0 -1.0 1941025 ChemDiv1_001654 COc1ccc(/C=C\2/SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L05 compound treatment 0.351 0.001 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971105 ChemDiv1_001655 CCCCOc1ccc(/C=C\2/N=C(OC2=O)c3cc(OC)c(OC)c(OC)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L06 compound treatment 0.329 -0.021 -1.0 0.299 -0.051 -1.0 -1.0 -1.0 1971106 ChemDiv1_001656 [O-][N+](=O)c1ccc(C(=O)Nc2ccc3oc(nc3c2)c4ccc(F)cc4Cl)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L07 compound treatment 0.341 -0.009 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971107 ChemDiv1_001657 FC(F)(F)c1ccc(Cl)c(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L08 compound treatment 0.357 0.007 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1591336 ChemDiv1_001658 Cc1ccc(cc1NC(=O)c2ccc3ccccc3c2)c4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L09 compound treatment 0.377 0.027 1.0 0.389 0.039 1.0 -1.0 -1.0 1971108 ChemDiv1_001659 COc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)C(=O)c3ccc(Br)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L10 compound treatment 0.359 0.009 1.0 0.352 0.002 1.0 -1.0 -1.0 1594758 ChemDiv1_001660 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L11 compound treatment 0.347 -0.003 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1416414 ChemDiv1_001661 CC1CCCN(C1)c2nc3nonc3nc2Nc4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L12 compound treatment 0.415 0.065 1.0 0.419 0.069 1.0 -1.0 -1.0 1781388 ChemDiv1_001662 Cc1ccc2n(CC(O)CN3C(=O)c4ccccc4S3(=O)=O)c(c(c5ccccc5)c2c1)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L13 compound treatment 0.341 -0.009 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971109 ChemDiv1_001663 CCOc1cc(cc(Br)c1OC)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L14 compound treatment 0.38 0.03 1.0 0.371 0.021 1.0 -1.0 -1.0 1971110 ChemDiv1_001664 CCCCOc1ccc(cc1)C2=N/C(=C\c3ccc(OC(=O)C)c(OC(=O)C)c3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L15 compound treatment 0.335 -0.015 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1504341 ChemDiv1_001665 COc1ccc(OC)c(Nc2nc3nonc3nc2Nc4c(C)n(C)n(c5ccccc5)c4=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L16 compound treatment 0.326 -0.024 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1971111 ChemDiv1_001666 Cc1ccc(N2C(=O)C3C(C4CCC3C=C4)C2=O)c(Br)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L17 compound treatment 0.345 -0.005 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1233322 ChemDiv1_001667 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(OCc5ccc(Cl)cc5Cl)cc4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L18 compound treatment 0.329 -0.021 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1430318 ChemDiv1_001668 OC(=O)C(Sc1nncc2ccccc12)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L19 compound treatment 0.414 0.064 1.0 0.41 0.06 1.0 -1.0 -1.0 1287431 ChemDiv1_001669 COc1cc(ccc1O)c2nc3ccccn3c2N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L20 compound treatment 0.317 -0.033 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1714703 ChemDiv1_001670 COc1ccc(cc1OCc2ccccc2)C3CC(=O)NC(=C3C#N)SCC(=O)OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L21 compound treatment 0.328 -0.022 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1971112 ChemDiv1_001671 CN1C(=O)S/C(=C\c2ccc(Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)/C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L22 compound treatment 0.351 0.001 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971113 ChemDiv1_001672 CCc1ccc(cc1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 L24 positive control 0.088 -0.262 -1.0 0.094 -0.256 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M01 compound treatment 0.394 0.044 1.0 0.392 0.042 1.0 -1.0 -1.0 1971114 ChemDiv1_001673 COc1cc(/C=C/2\N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-])cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M02 compound treatment 0.415 0.065 1.0 0.514 0.164 1.0 -1.0 -1.0 1971115 ChemDiv1_001674 CCCCOC(=O)c1cc(ccc1Cl)c2ccc(C=C3C(=O)NC(=O)NC3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M03 compound treatment 0.347 -0.003 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1391270 ChemDiv1_001675 CSc1nnc-2c(OC3(CCCCC3)Nc4ccccc42)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M04 compound treatment 0.345 -0.005 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971116 ChemDiv1_001676 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3cccc(c3)[N+](=O)[O-])c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M05 compound treatment 0.373 0.023 1.0 0.366 0.016 1.0 -1.0 -1.0 1544231 ChemDiv1_001677 CCSc1nnc-2c(OC(Nc3ccccc32)c4cc(OC)c(O)c(OC)c4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M06 compound treatment 0.377 0.027 1.0 0.352 0.002 1.0 -1.0 -1.0 1971117 ChemDiv1_001678 CCCCc1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M07 compound treatment 0.398 0.048 1.0 0.421 0.071 1.0 -1.0 -1.0 1939610 ChemDiv1_001679 CCCCSc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccc(o4)[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M08 compound treatment 0.358 0.008 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971118 ChemDiv1_001680 COc1cc(ccc1N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M09 compound treatment 0.358 0.008 1.0 0.354 0.004 1.0 -1.0 -1.0 1971119 ChemDiv1_001681 CCCCSc1nnc-2c(OC(Nc3ccccc32)c4ccc(OCC(=O)O)cc4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M10 compound treatment 1.002 0.652 1.0 0.992 0.642 1.0 -1.0 -1.0 1971120 ChemDiv1_001682 OC(=O)CN1C(=O)/C(=C/Nc2ccccc2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M11 compound treatment 0.383 0.033 1.0 0.376 0.026 1.0 -1.0 -1.0 1971121 ChemDiv1_001683 COc1cc(/C=C/2\N=C(OC2=O)c3cc(F)c(F)cc3Cl)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M12 compound treatment 0.337 -0.013 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1189005 ChemDiv1_001684 CCOc1cccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(Cl)cc3Cl)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M13 compound treatment 0.402 0.052 1.0 0.392 0.042 1.0 -1.0 -1.0 1971122 ChemDiv1_001685 COc1ccc(Br)cc1/C=C/2\N=C(OC2=O)c3ccc(Cl)c(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M14 compound treatment 0.337 -0.013 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971123 ChemDiv1_001686 CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)/SC2=S)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M15 compound treatment 0.369 0.019 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971124 ChemDiv1_001687 CCOc1cc(/C=C/2\N=C(OC2=O)c3cccc(Cl)c3)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M16 compound treatment 0.355 0.005 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971125 ChemDiv1_001688 Brc1ccc(cc1)C(=O)NN2C(=O)/C(=C\3/C(=O)Nc4ccccc34)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M17 compound treatment 0.353 0.003 1.0 0.35 0.0 -1.0 -1.0 -1.0 1971126 ChemDiv1_001689 [O-][N+](=O)c1ccc(Br)c(c1)C(=O)Nc2ccc(Cl)c(c2)c3nc4ccccc4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M18 compound treatment 0.374 0.024 1.0 0.371 0.021 1.0 -1.0 -1.0 1971127 ChemDiv1_001690 CN1CCN(CC1)C(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M19 compound treatment 0.367 0.017 1.0 0.359 0.009 1.0 -1.0 -1.0 1466069 ChemDiv1_001691 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M20 compound treatment 0.323 -0.027 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1971128 ChemDiv1_001692 CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M21 compound treatment 0.329 -0.021 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971129 ChemDiv1_001693 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(Cl)c(c3)C(=O)O)C)c(cc1OC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M22 compound treatment 0.351 0.001 1.0 0.359 0.009 1.0 -1.0 -1.0 1937467 ChemDiv1_001694 COc1ccc(/C=C/2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 M24 positive control 0.089 -0.261 -1.0 0.093 -0.257 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N01 compound treatment 0.516 0.166 1.0 0.512 0.162 1.0 -1.0 -1.0 1936789 ChemDiv1_001695 COc1ccccc1/C=C/2\SC(=S)N(CCC(=O)OCCN(C)C)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N02 compound treatment 0.491 0.141 1.0 0.532 0.182 1.0 -1.0 -1.0 1971130 ChemDiv1_001696 COc1ccc(/C=C/2\SC(=S)N(CC(=O)O)C2=O)cc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N03 compound treatment 0.374 0.024 1.0 0.383 0.033 1.0 -1.0 -1.0 1971131 ChemDiv1_001697 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N04 compound treatment 0.354 0.004 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971132 ChemDiv1_001698 Clc1ccccc1/C=C\2/SC(=S)N(CN3CCOCC3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N05 compound treatment 0.492 0.142 1.0 0.473 0.123 1.0 -1.0 -1.0 1971133 ChemDiv1_001699 OC(=O)COc1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N06 compound treatment 0.402 0.052 1.0 0.397 0.047 1.0 -1.0 -1.0 1725434 ChemDiv1_001700 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4cccc(C)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N07 compound treatment 0.334 -0.016 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971134 ChemDiv1_001701 COc1cc(ccc1N2C(=O)C3C(C4CCC3C=C4)C2=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N08 compound treatment 0.378 0.028 1.0 0.375 0.025 1.0 -1.0 -1.0 1971135 ChemDiv1_001702 CC(=O)c1ccc2NC(C3CC=CC3c2c1)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N09 compound treatment 0.341 -0.009 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971136 ChemDiv1_001703 Clc1ccccc1C(=O)N2CCN(CCNC(=O)C(=O)NCc3ccccc3)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N10 compound treatment 0.48 0.13 1.0 0.481 0.131 1.0 -1.0 -1.0 1941436 ChemDiv1_001704 COc1cc(/C=C/2\SC(=O)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N11 compound treatment 0.343 -0.007 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1321302 ChemDiv1_001705 COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N12 compound treatment 0.35 0.0 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971137 ChemDiv1_001706 COc1ccc(Cl)cc1C2=N/C(=C\Nc3ccc(C)cc3Br)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N13 compound treatment 0.406 0.056 1.0 0.389 0.039 1.0 -1.0 -1.0 1645993 ChemDiv1_001707 COc1ccccc1Nc2nc3nonc3nc2Nc4ccc(C)c(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N14 compound treatment 0.346 -0.004 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971138 ChemDiv1_001708 COc1ccc(cc1)c2nc3c4ccccc4ccn3c2C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N15 compound treatment 0.354 0.004 1.0 0.356 0.006 1.0 -1.0 -1.0 1206298 ChemDiv1_001709 CCOC(=O)COc1cc(Br)c(C=c2sc3nc4ccccc4n3c2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N16 compound treatment 0.322 -0.028 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1971139 ChemDiv1_001710 CCN(CC)c1ccc(/C=C\2/N=C(OC2=O)c3cc(OC)c(OC)c(OC)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N17 compound treatment 0.262 -0.088 -1.0 0.236 -0.114 -1.0 -1.0 -1.0 1696698 ChemDiv1_001711 Cc1cc2nc3sc(=Cc4ccc(o4)c5ccccc5C(=O)O)c(=O)n3c2cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N18 compound treatment 0.379 0.029 1.0 0.37 0.02 1.0 -1.0 -1.0 1971140 ChemDiv1_001712 Cc1ccc(C(=O)CSc2nc(N)c(C#N)c(c3cccs3)c2C#N)c(C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N19 compound treatment 0.362 0.012 1.0 0.354 0.004 1.0 -1.0 -1.0 1971141 ChemDiv1_001713 CN1C(=O)N(C)C(=O)C(=Cc2cc(C)n(c2C)c3ccc(Br)cc3)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N20 compound treatment 0.343 -0.007 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971142 ChemDiv1_001714 Clc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N21 compound treatment 0.371 0.021 1.0 0.364 0.014 1.0 -1.0 -1.0 1971143 ChemDiv1_001715 CC/1=NN(C(=O)\C1=C/c2ccc(Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N22 compound treatment 0.341 -0.009 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971144 ChemDiv1_001716 Nc1nc(SCC(=O)c2ccc(F)cc2)c(C#N)c(c1C#N)c3ccc(O)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 N24 positive control 0.092 -0.258 -1.0 0.093 -0.257 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O01 compound treatment 0.352 0.002 1.0 0.352 0.002 1.0 -1.0 -1.0 1971145 ChemDiv1_001717 Cc1onc(c1C2=N/C(=C\c3ccc(cc3)[N+](=O)[O-])/C(=O)O2)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O02 compound treatment 0.421 0.071 1.0 0.398 0.048 1.0 -1.0 -1.0 1971146 ChemDiv1_001718 CCCCOC(=O)c1cc(ccc1Cl)c2ccc(C=C3C(=O)NC(=S)NC3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O03 compound treatment 0.351 0.001 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1247047 ChemDiv1_001719 CSc1nnc-2c(OC(Nc3ccccc32)c4ccc(OCC(=O)O)cc4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O04 compound treatment 0.363 0.013 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971147 ChemDiv1_001720 COc1cc(/C=C/2\C(=NN(C2=O)c3ccc(Br)cc3)C)cc([N+](=O)[O-])c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O05 compound treatment 0.36 0.01 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1450348 ChemDiv1_001721 CSc1nnc-2c(OC(Nc3ccccc32)c4ccccn4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O06 compound treatment 0.346 -0.004 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971148 ChemDiv1_001722 COC(=O)c1ccc(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O07 compound treatment 0.357 0.007 1.0 0.352 0.002 1.0 -1.0 -1.0 1971149 ChemDiv1_001723 CCCCSc1nnc-2c(OC(Nc3ccccc32)C4CCC(=CC4)C)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O08 compound treatment 0.352 0.002 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971150 ChemDiv1_001724 [O-][N+](=O)c1ccc(Cl)c(N/C=C/2\N=C(OC2=O)c3ccc(Br)cc3)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O09 compound treatment 0.371 0.021 1.0 0.361 0.011 1.0 -1.0 -1.0 1971151 ChemDiv1_001725 CSc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccccc4[N+](=O)[O-])n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O10 compound treatment 0.363 0.013 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971152 ChemDiv1_001726 CCOC(=O)c1ccc(Nc2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O11 compound treatment 0.403 0.053 1.0 0.401 0.051 1.0 -1.0 -1.0 1971153 ChemDiv1_001727 COc1cc(/C=C/2\N=C(OC2=O)c3cccc(Br)c3)ccc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O12 compound treatment 0.637 0.287 1.0 0.636 0.286 1.0 -1.0 -1.0 1971154 ChemDiv1_001728 CCOc1ccc2S/C(=C/NCc3cccnc3)/C(=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O13 compound treatment 0.361 0.011 1.0 0.368 0.018 1.0 -1.0 -1.0 1971155 ChemDiv1_001729 Cc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3ccc(o3)c4cccc(c4)[N+](=O)[O-])/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O14 compound treatment 0.348 -0.002 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971156 ChemDiv1_001730 NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccc(F)cc3)/C2=O)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O15 compound treatment 0.374 0.024 1.0 0.376 0.026 1.0 -1.0 -1.0 1971157 ChemDiv1_001731 CCOc1cc(/C=C/2\N=C(OC2=O)c3ccc(Cl)cc3)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O16 compound treatment 0.567 0.217 1.0 0.545 0.195 1.0 -1.0 -1.0 1971158 ChemDiv1_001732 COc1cc(/C=C/2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O17 compound treatment 0.352 0.002 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971159 ChemDiv1_001733 CCCOc1cccc(c1)C(=O)Nc2ccc(OC(=O)c3cccc(OCCC)c3)c(c2)c4nc5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O18 compound treatment 0.346 -0.004 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971160 ChemDiv1_001734 Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)/SC2=S)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O19 compound treatment 0.36 0.01 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1361344 ChemDiv1_001735 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4ccc5ccccc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O20 compound treatment 0.342 -0.008 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971161 ChemDiv1_001736 Cc1c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)/C2=O)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O21 compound treatment 0.363 0.013 1.0 0.357 0.007 1.0 -1.0 -1.0 1971162 ChemDiv1_001737 CC/1=NN(C(=O)\C1=C/c2ccc(OCc3ccccc3)cc2)c4ccc(Cl)c(c4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O22 compound treatment 0.351 0.001 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971163 ChemDiv1_001738 Clc1ccc(OCC(=O)NN2C(=O)/C(=C/3\C(=O)Nc4ccccc34)/SC2=S)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 O24 positive control 0.094 -0.256 -1.0 0.095 -0.255 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P01 compound treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971164 ChemDiv1_001739 [O-][N+](=O)c1ccc(cc1)N2CCN(CC2)/C=C/3\N=C(OC3=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P02 compound treatment 0.356 0.006 1.0 0.358 0.008 1.0 -1.0 -1.0 1923659 ChemDiv1_001740 [O-][N+](=O)c1ccc(COc2ccccc2/C=C/3\SC(=N)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P03 compound treatment 0.355 0.005 1.0 0.357 0.007 1.0 -1.0 -1.0 1971165 ChemDiv1_001741 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3ccc(OC(=O)C)c(OC)c3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P04 compound treatment 0.375 0.025 1.0 0.373 0.023 1.0 -1.0 -1.0 1940244 ChemDiv1_001742 CCOc1ccc(/C=C\2/SC(=S)N(CN3CCOCC3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P05 compound treatment 0.419 0.069 1.0 0.423 0.073 1.0 -1.0 -1.0 1971166 ChemDiv1_001743 COc1ccc(Br)cc1/C=C\2/N=C(OC2=O)c3ccc(C)c(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P06 compound treatment 0.427 0.077 1.0 0.425 0.075 1.0 -1.0 -1.0 1560654 ChemDiv1_001744 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc3oc(nc3c2)c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P07 compound treatment 0.528 0.178 1.0 0.543 0.193 1.0 -1.0 -1.0 1971167 ChemDiv1_001745 COc1ccc(N2C(=O)C3C(C2=O)C4(C)C(=O)C3(C)C(=C4c5ccccc5)c6ccccc6)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P08 compound treatment 0.506 0.156 1.0 0.543 0.193 1.0 -1.0 -1.0 1971168 ChemDiv1_001746 CC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(Br)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P09 compound treatment 0.376 0.026 1.0 0.368 0.018 1.0 -1.0 -1.0 1971169 ChemDiv1_001747 Cc1ccc(NC(=O)C(=O)NCCN2CCNCC2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P10 compound treatment 0.378 0.028 1.0 0.374 0.024 1.0 -1.0 -1.0 1971170 ChemDiv1_001748 CN1C(=O)/C(=C/2\SC(=O)N(Cc3ccccc3)C2=O)/c4cc(Br)ccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P11 compound treatment 0.364 0.014 1.0 0.369 0.019 1.0 -1.0 -1.0 1971171 ChemDiv1_001749 CC1CCN(CC1)c2ccc(C=c3sc4nc5cc(C)c(C)cc5n4c3=O)cc2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P12 compound treatment 0.436 0.086 1.0 0.46 0.11 1.0 -1.0 -1.0 1971172 ChemDiv1_001750 COc1ccc(Cl)cc1C2=N/C(=C\Nc3ccc(Br)cn3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P13 compound treatment 0.396 0.046 1.0 0.421 0.071 1.0 -1.0 -1.0 1349687 ChemDiv1_001751 COc1ccc(OC)c(Nc2nc3nonc3nc2Nc4cc(OC)ccc4OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P14 compound treatment 0.373 0.023 1.0 0.364 0.014 1.0 -1.0 -1.0 1588542 ChemDiv1_001752 CC1CCc2c(C1)sc3nc(oc(=O)c23)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P15 compound treatment 0.47 0.12 1.0 0.472 0.122 1.0 -1.0 -1.0 1971173 ChemDiv1_001753 CC(=O)/N=C/1\NC(=O)\C(=C\c2cn(nc2c3ccccc3)C(=O)C)\S1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P16 compound treatment 0.377 0.027 1.0 0.376 0.026 1.0 -1.0 -1.0 1971174 ChemDiv1_001754 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(OC)cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P17 compound treatment 0.364 0.014 1.0 0.355 0.005 1.0 -1.0 -1.0 1939162 ChemDiv1_001755 COc1cc(/C=C/2\Sc3ccccc3C2=O)ccc1OCC#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P18 compound treatment 0.385 0.035 1.0 0.387 0.037 1.0 -1.0 -1.0 1971175 ChemDiv1_001756 [O-][N+](=O)c1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P19 compound treatment 0.359 0.009 1.0 0.35 0.0 -1.0 -1.0 -1.0 1971176 ChemDiv1_001757 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P20 compound treatment 0.383 0.033 1.0 0.375 0.025 1.0 -1.0 -1.0 1971177 ChemDiv1_001758 COc1cccc(c1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P21 compound treatment 0.575 0.225 1.0 0.557 0.207 1.0 -1.0 -1.0 1971178 ChemDiv1_001759 Oc1c(Br)cc(/C=C/2\NC(=S)NC2=O)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P22 compound treatment 0.351 0.001 1.0 0.353 0.003 1.0 -1.0 -1.0 1971179 ChemDiv1_001760 CC1CCC2(CC1)C(C#N)C(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.591 P24 positive control 0.096 -0.254 -1.0 0.096 -0.254 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A01 compound treatment 0.364 0.014 1.0 0.367 0.017 1.0 -1.0 -1.0 1261250 ChemDiv1_001761 OC1OC(Oc2ccc3c(=O)c(coc3c2)c4ccc(Br)cc4)C(O)C(O)C1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A02 compound treatment 0.377 0.027 1.0 0.394 0.044 1.0 -1.0 -1.0 1971180 ChemDiv1_001762 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A03 compound treatment 0.332 -0.018 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1664521 ChemDiv1_001763 CCCc1cc2c(=O)c(c3ccc(o3)C(=O)OCC)c(oc2cc1OC(=O)C)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A04 compound treatment 0.342 -0.008 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971181 ChemDiv1_001764 OC(=O)CSc1nnc(c2ccccc2)n1CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A05 compound treatment 0.332 -0.018 -1.0 0.354 0.004 1.0 -1.0 -1.0 1971182 ChemDiv1_001765 CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)cc3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A06 compound treatment 0.336 -0.014 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971183 ChemDiv1_001766 COC(=O)c1cc(ccc1Cl)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A07 compound treatment 0.313 -0.037 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1971184 ChemDiv1_001767 CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A08 compound treatment 0.098 -0.252 -1.0 0.101 -0.249 -1.0 -1.0 -1.0 1719906 ChemDiv1_001768 COc1ccccc1N2C(=O)C3C(C2=O)C4(C)OC3(C)C=C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A09 compound treatment 0.349 -0.001 -1.0 0.357 0.007 1.0 -1.0 -1.0 1971185 ChemDiv1_001769 CCOc1ccc(cc1)C2SCC(=O)N2c3c(C)n(C)n(c4ccccc4)c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A10 compound treatment 0.329 -0.021 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971186 ChemDiv1_001770 Clc1ccc(cc1C(=O)OCC=C)c2ccc(C=C3C(=O)NC(=S)NC3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A11 compound treatment 0.316 -0.034 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971187 ChemDiv1_001771 CC1=C(C(NC(=O)N1)c2cccc(Oc3ccccc3)c2)C(=O)OCCOc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A12 compound treatment 0.342 -0.008 -1.0 0.359 0.009 1.0 -1.0 -1.0 1971188 ChemDiv1_001772 CCCCCCCOC(=O)C1=C(C)NC(=O)NC1c2cc(OC)c(OC)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A13 compound treatment 0.329 -0.021 -1.0 0.351 0.001 1.0 -1.0 -1.0 1971189 ChemDiv1_001773 COc1cc(/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A14 compound treatment 0.337 -0.013 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1136554 ChemDiv1_001774 COc1ccc(cc1)C(=O)COC(=O)c2ccc(cc2)N3C(=O)C4CC=CCC4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A15 compound treatment 0.338 -0.012 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971190 ChemDiv1_001775 Cc1onc(c1C2=N/C(=C\c3coc4ccc(Cl)cc4c3=O)/C(=O)O2)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A16 compound treatment 0.336 -0.014 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971191 ChemDiv1_001776 CC(=O)n1cc(/C=C/2\N=C(OC2=O)c3ccccc3C)c4cc(Br)ccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A17 compound treatment 0.335 -0.015 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971192 ChemDiv1_001777 CCOc1ccc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])c(OC(=O)C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A18 compound treatment 0.36 0.01 1.0 0.366 0.016 1.0 -1.0 -1.0 1680738 ChemDiv1_001778 CCOc1ccc(cc1)c2cc(C(=O)Nc3ccc(cc3)S(=O)(=O)NC(=O)C)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A19 compound treatment 0.332 -0.018 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1499675 ChemDiv1_001779 CCOc1cccc2cc(c3nnc(Nc4ccc(Cl)cc4Cl)s3)c(=O)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A20 compound treatment 0.396 0.046 1.0 0.397 0.047 1.0 -1.0 -1.0 1278637 ChemDiv1_001780 COc1cc(Br)c(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OC4CCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A21 compound treatment 0.342 -0.008 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1555644 ChemDiv1_001781 COC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A22 compound treatment 0.341 -0.009 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971193 ChemDiv1_001782 CCCCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)cc3Br)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 A24 positive control 0.079 -0.271 -1.0 0.078 -0.272 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B01 compound treatment 0.367 0.017 1.0 0.373 0.023 1.0 -1.0 -1.0 1704401 ChemDiv1_001783 COc1ccc(Cl)cc1C(=O)Nc2ccc(Cl)c(c2)c3nc4c(ccc5ccccc45)o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B02 compound treatment 0.32 -0.03 -1.0 0.354 0.004 1.0 -1.0 -1.0 1971194 ChemDiv1_001784 CCCCCCCOC(=O)C1=C(C)NC(=O)NC1c2cc(Br)c(O)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B03 compound treatment 0.336 -0.014 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1324222 ChemDiv1_001785 Cc1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B04 compound treatment 0.335 -0.015 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1225541 ChemDiv1_001786 COc1cc(cc(Cl)c1O)C2NC(=O)NC(=C2C(=O)OCC3CCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B05 compound treatment 0.334 -0.016 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971195 ChemDiv1_001787 O=C(NN1C(=O)/C(=C\2/C(=O)N(Cc3ccccc3)c4ccccc24)/SC1=S)c5ccncc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B06 compound treatment 0.325 -0.025 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971196 ChemDiv1_001788 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OC/C=C/C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B07 compound treatment 0.325 -0.025 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1942979 ChemDiv1_001789 CCOC(=O)c1c(NC(=O)CCN2C(=O)c3cccc4cccc(C2=O)c34)sc5CCCc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B08 compound treatment 0.353 0.003 1.0 0.374 0.024 1.0 -1.0 -1.0 1343246 ChemDiv1_001790 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(OC)cc4OC)C(=O)OC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B09 compound treatment 0.332 -0.018 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1919252 ChemDiv1_001791 O=C1N/C(=N\c2ccccc2)/SC1Cc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B10 compound treatment 0.332 -0.018 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971197 ChemDiv1_001792 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(ccc3Cl)[N+](=O)[O-])cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B11 compound treatment 0.324 -0.026 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971198 ChemDiv1_001793 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4ccccc34)C(C2)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B12 compound treatment 0.334 -0.016 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1288105 ChemDiv1_001794 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)S(=O)(=O)N(C)C)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B13 compound treatment 0.372 0.022 1.0 0.369 0.019 1.0 -1.0 -1.0 1452326 ChemDiv1_001795 CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(=O)O)c4ccc(Br)cc4)c(Cl)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B14 compound treatment 0.324 -0.026 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1652367 ChemDiv1_001796 Brc1c(CSc2nc3ccccc3[nH]2)nc4ccccn14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B15 compound treatment 0.326 -0.024 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971199 ChemDiv1_001797 CCOC(=O)c1c(oc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B16 compound treatment 0.347 -0.003 -1.0 0.352 0.002 1.0 -1.0 -1.0 1727808 ChemDiv1_001798 CCOc1ccc(cc1)c2cn3cc(Cl)ccc3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B17 compound treatment 0.386 0.036 1.0 0.378 0.028 1.0 -1.0 -1.0 1923701 ChemDiv1_001799 OC(=O)CCC(=O)N1N=C(CC1c2ccco2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B18 compound treatment 0.219 -0.131 -1.0 0.254 -0.096 -1.0 -1.0 -1.0 1637409 ChemDiv1_001800 COC(=O)c1cc(ccc1Cl)N2C(=O)C3C(C2=O)C4(C)OC3(C)C=C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B19 compound treatment 0.334 -0.016 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1938110 ChemDiv1_001801 O=c1oc(nc2sc3CCCc3c12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B20 compound treatment 0.276 -0.074 -1.0 0.294 -0.056 -1.0 -1.0 -1.0 1971200 ChemDiv1_001802 COc1ccc(N2C(=O)C3C4OC(C=C4)C3C2=O)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B21 compound treatment 0.331 -0.019 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1734911 ChemDiv1_001803 CC1=C(C(NC(=O)N1)c2ccc(Br)cc2)C(=O)OCc3ccc4OCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B22 compound treatment 0.229 -0.121 -1.0 0.245 -0.105 -1.0 -1.0 -1.0 1971201 ChemDiv1_001804 CCOc1ccc(cc1N2C(=O)C3C4OC(C=C4)C3C2=O)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 B24 positive control 0.077 -0.273 -1.0 0.077 -0.273 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C01 compound treatment 0.367 0.017 1.0 0.375 0.025 1.0 -1.0 -1.0 1679845 ChemDiv1_001805 OCC1OC(Oc2ccc3c(=O)c(coc3c2)c4ccc(Cl)cc4)C(O)C(O)C1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C02 compound treatment 0.332 -0.018 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971202 ChemDiv1_001806 COc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C03 compound treatment 0.337 -0.013 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971203 ChemDiv1_001807 CCCCCCc1cc2c(=O)c(coc2cc1OCC(=O)OCC)c3csc(C)n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C04 compound treatment 0.331 -0.019 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971204 ChemDiv1_001808 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)c4cc([N+](=O)[O-])c(N5CCOCC5)c(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C05 compound treatment 0.313 -0.037 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971205 ChemDiv1_001809 CC(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C06 compound treatment 0.335 -0.015 -1.0 0.351 0.001 1.0 -1.0 -1.0 1925504 ChemDiv1_001810 O=C1C2C(C3CCC2C=C3)C(=O)N1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C07 compound treatment 0.338 -0.012 -1.0 0.356 0.006 1.0 -1.0 -1.0 1971206 ChemDiv1_001811 Clc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C08 compound treatment 0.33 -0.02 -1.0 0.351 0.001 1.0 -1.0 -1.0 1971207 ChemDiv1_001812 OC(=O)c1cc(ccc1Cl)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C09 compound treatment 0.335 -0.015 -1.0 0.355 0.005 1.0 -1.0 -1.0 1701613 ChemDiv1_001813 COc1cc(cc(OC)c1OC)C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C10 compound treatment 0.326 -0.024 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1521055 ChemDiv1_001814 Cc1ccc2oc(nc2c1)c3cc(NC(=O)c4cccc5c(Br)cccc45)ccc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C11 compound treatment 0.308 -0.042 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1151437 ChemDiv1_001815 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OC3CCCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C12 compound treatment 0.334 -0.016 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971208 ChemDiv1_001816 COc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C13 compound treatment 0.333 -0.017 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971209 ChemDiv1_001817 Cc1onc(c1C2=N/C(=C\c3cccc(Br)c3)/C(=O)O2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C14 compound treatment 0.333 -0.017 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971210 ChemDiv1_001818 COc1ccc(cc1)C(=O)COC(=O)c2ccccc2N3C(=O)C4C5CC(C=C5)C4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C15 compound treatment 0.333 -0.017 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971211 ChemDiv1_001819 COc1cc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C16 compound treatment 0.335 -0.015 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971212 ChemDiv1_001820 CC(=O)n1cc(/C=C/2\N=C(OC2=O)c3cccc4ccccc34)c5cc(Br)ccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C17 compound treatment 0.337 -0.013 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971213 ChemDiv1_001821 CC(=O)Oc1ccc(Br)cc1/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C18 compound treatment 0.344 -0.006 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1939827 ChemDiv1_001822 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C19 compound treatment 0.336 -0.014 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971214 ChemDiv1_001823 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)c3nnc(Nc4ccc(Cl)cc4Cl)s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C20 compound treatment 0.34 -0.01 -1.0 0.351 0.001 1.0 -1.0 -1.0 1971215 ChemDiv1_001824 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OCC)c3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C21 compound treatment 0.321 -0.029 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1160505 ChemDiv1_001825 CCN1C(=C(C(NC1=O)c2cc(Br)c(O)c(OC)c2)C(=O)OCC=C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C22 compound treatment 0.337 -0.013 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1565124 ChemDiv1_001826 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 C24 positive control 0.079 -0.271 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D01 compound treatment 0.353 0.003 1.0 0.359 0.009 1.0 -1.0 -1.0 1539059 ChemDiv1_001827 Cc1c(NC(=O)c2cccc3c(Br)cccc23)cccc1c4nc5cc(Cl)ccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D02 compound treatment 0.335 -0.015 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1781944 ChemDiv1_001828 CC1=C(C(NC(=O)N1)c2ccc(cc2)[N+](=O)[O-])C(=O)OCc3ccc4OCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D03 compound treatment 0.367 0.017 1.0 0.382 0.032 1.0 -1.0 -1.0 1971216 ChemDiv1_001829 COc1cc(/C=C/2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D04 compound treatment 0.32 -0.03 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1288705 ChemDiv1_001830 COc1ccc(cc1)C2C(=C(N)OC3=C2C(=O)CC(C3)c4ccccc4Cl)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D05 compound treatment 0.333 -0.017 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971217 ChemDiv1_001831 Clc1ccccc1CN2C(=O)/C(=C/3\SC(=S)N(NC(=O)c4ccncc4)C3=O)/c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D06 compound treatment 0.304 -0.046 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971218 ChemDiv1_001832 CC(C)OCCOC(=O)C1=C(C)NC(=O)NC1c2cccc(OCc3ccccc3)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D07 compound treatment 0.325 -0.025 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1786429 ChemDiv1_001833 CC(=O)Nc1nc2ccc(NC(=O)c3c(cnn3C)[N+](=O)[O-])cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D08 compound treatment 0.274 -0.076 -1.0 0.298 -0.052 -1.0 -1.0 -1.0 1971219 ChemDiv1_001834 O=C1/C(=C\c2cccs2)/Sc3ccc4ccccc4c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D09 compound treatment 0.314 -0.036 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1931779 ChemDiv1_001835 Cc1cccc(CC2S/C(=N/c3ccccc3)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D10 compound treatment 0.34 -0.01 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971220 ChemDiv1_001836 [O-][N+](=O)c1cc(cc([N+](=O)[O-])c1N2CCOCC2)C(=O)Nc3ccccc3c4nc5ccccc5[nH]4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D11 compound treatment 0.324 -0.026 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971221 ChemDiv1_001837 COc1ccc(cc1)C2CC(=NN2CN3C(=O)C(=O)c4cc(Br)ccc34)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D12 compound treatment 0.33 -0.02 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1658145 ChemDiv1_001838 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D13 compound treatment 0.324 -0.026 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971222 ChemDiv1_001839 O=C1N(CCCc2nc3sc4CCCCc4c3c(=O)[nH]2)C(=O)c5cccc6cccc1c56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D14 compound treatment 0.33 -0.02 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1333889 ChemDiv1_001840 O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D15 compound treatment 0.321 -0.029 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1599272 ChemDiv1_001841 CCOC(=O)c1c(oc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D16 compound treatment 0.332 -0.018 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971223 ChemDiv1_001842 CCOC/1=NN(C(=O)\C1=C/c2cc(OC)c(OC)cc2OC)c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D17 compound treatment 0.326 -0.024 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1943444 ChemDiv1_001843 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D18 compound treatment 0.249 -0.101 -1.0 0.27 -0.08 -1.0 -1.0 -1.0 1477773 ChemDiv1_001844 CC(=O)Oc1cccc(c1)N2C(=O)C3C(C2=O)C4(C)OC3(C)C=C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D19 compound treatment 0.326 -0.024 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1128671 ChemDiv1_001845 Brc1cc2OCCOc2c3c4CCNC(=O)c4[nH]c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D20 compound treatment 0.179 -0.171 -1.0 0.202 -0.148 -1.0 -1.0 -1.0 1971224 ChemDiv1_001846 FC(F)(F)c1cc(ccc1Cl)N2C(=O)C3C4OC(C=C4)C3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D21 compound treatment 0.325 -0.025 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1781942 ChemDiv1_001847 CC1=C(C(NC(=O)N1)c2cccc(c2)[N+](=O)[O-])C(=O)OCc3ccc4OCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D22 compound treatment 0.329 -0.021 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1924631 ChemDiv1_001848 CC(=C1C2C=CC1C3C2C(=O)N(C3=O)c4ccc(Br)cc4[N+](=O)[O-])C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 D24 positive control 0.079 -0.271 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E01 compound treatment 0.332 -0.018 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1517948 ChemDiv1_001849 CCCc1oc2cc(OCC(=O)OC)c(CC)cc2c(=O)c1c3ccc4OCCCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E02 compound treatment 0.342 -0.008 -1.0 0.373 0.023 1.0 -1.0 -1.0 1351263 ChemDiv1_001850 COC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E03 compound treatment 0.327 -0.023 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1647854 ChemDiv1_001851 CC(=O)Oc1cc(OC(=O)C)c2c(=O)c(c(C)oc2c1)c3ccc4OCCCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E04 compound treatment 0.318 -0.032 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1971225 ChemDiv1_001852 CCOC(=O)CSc1nnc(c2ccc(Br)cc2)n1c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E05 compound treatment 0.619 0.269 1.0 0.63 0.28 1.0 -1.0 -1.0 1971226 ChemDiv1_001853 COc1ccc(/C=C\2/SC(=S)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)c(C(=O)O)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E06 compound treatment 0.329 -0.021 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971227 ChemDiv1_001854 COC(=O)c1cccc(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E07 compound treatment 0.329 -0.021 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971228 ChemDiv1_001855 NC(=O)CSc1nncc2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E08 compound treatment 0.315 -0.035 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971229 ChemDiv1_001856 O=C1NC(=O)C2C1C3(C(=O)C2(C(=C3c4ccc5OCOc5c4)c6ccc7OCOc7c6)c8ccccc8)c9ccccc9 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E09 compound treatment 0.305 -0.045 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1120482 ChemDiv1_001857 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cc(OC)ccc3OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E10 compound treatment 0.307 -0.043 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1250324 ChemDiv1_001858 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OC3CCCCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E11 compound treatment 0.339 -0.011 -1.0 0.355 0.005 1.0 -1.0 -1.0 1298652 ChemDiv1_001859 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cccc(OC)c3OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E12 compound treatment 0.313 -0.037 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1499253 ChemDiv1_001860 CCC(C)OC(=O)C1=C(C)NC(=O)NC1c2cc(Br)c(O)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E13 compound treatment 0.358 0.008 1.0 0.378 0.028 1.0 -1.0 -1.0 1971230 ChemDiv1_001861 COc1ccc(Br)cc1/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E14 compound treatment 0.335 -0.015 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1348194 ChemDiv1_001862 COc1ccc(cc1)C(=O)COC(=O)c2cccc(c2)N3C(=O)C4C5CC(C=C5)C4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E15 compound treatment 0.339 -0.011 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971231 ChemDiv1_001863 COc1ccc(Br)cc1/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E16 compound treatment 0.329 -0.021 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1596362 ChemDiv1_001864 COC(=O)c1sccc1NC(=O)c2cc(nc3ccccc23)c4ccc(OC)cc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E17 compound treatment 0.308 -0.042 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1971232 ChemDiv1_001865 CC(=O)Oc1ccc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])c(OC(=O)C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E18 compound treatment 0.328 -0.022 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971233 ChemDiv1_001866 Cc1ccc2c(Cl)c(sc2c1)C(=O)Nc3ccc(Br)cc3Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E19 compound treatment 0.336 -0.014 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1152291 ChemDiv1_001867 CCOC(=O)c1ccc(Nc2nnc(s2)c3cc4ccc(cc4oc3=O)N(CC)CC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E20 compound treatment 0.338 -0.012 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1358692 ChemDiv1_001868 COc1ccc(C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E21 compound treatment 0.396 0.046 1.0 0.411 0.061 1.0 -1.0 -1.0 1971234 ChemDiv1_001869 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E22 compound treatment 0.323 -0.027 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1971235 ChemDiv1_001870 CCOC(=O)C1=C(NC(=O)NC1c2cc(Br)c(O)c(OC)c2)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 E24 positive control 0.081 -0.269 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F01 compound treatment 0.359 0.009 1.0 0.358 0.008 1.0 -1.0 -1.0 1555459 ChemDiv1_001871 COc1cc(cc(OC)c1OC)C(=O)Nc2ccc(Cl)c(c2)c3nc4cc(Cl)ccc4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F02 compound treatment 0.363 0.013 1.0 0.389 0.039 1.0 -1.0 -1.0 1446464 ChemDiv1_001872 COC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F03 compound treatment 0.37 0.02 1.0 0.377 0.027 1.0 -1.0 -1.0 1940510 ChemDiv1_001873 Clc1cccc(CC2S/C(=N\c3ccccn3)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F04 compound treatment 0.358 0.008 1.0 0.357 0.007 1.0 -1.0 -1.0 1368820 ChemDiv1_001874 COc1cc(cc(OC)c1OC)C2NC(=O)NC(=C2C(=O)OCc3ccc(C)cc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F05 compound treatment 0.336 -0.014 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1781892 ChemDiv1_001875 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)COc3cc(Cl)ccc3Cl)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F06 compound treatment 0.397 0.047 1.0 0.406 0.056 1.0 -1.0 -1.0 1194789 ChemDiv1_001876 COC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F07 compound treatment 0.351 0.001 1.0 0.363 0.013 1.0 -1.0 -1.0 1971236 ChemDiv1_001877 Cn1cc(Cl)c(n1)C(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F08 compound treatment 0.304 -0.046 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971237 ChemDiv1_001878 CN(C)c1ccc(/C=C/2\Sc3ccc4ccccc4c3C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F09 compound treatment 0.329 -0.021 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971238 ChemDiv1_001879 Cc1ccc(CC2S/C(=N/c3ccccc3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F10 compound treatment 0.352 0.002 1.0 0.359 0.009 1.0 -1.0 -1.0 1121992 ChemDiv1_001880 COc1cc2ccccc2cc1C(=O)Nc3ccc4nc(C)sc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F11 compound treatment 0.336 -0.014 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971239 ChemDiv1_001881 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4ccccc34)C(C2)c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F12 compound treatment 0.331 -0.019 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1644367 ChemDiv1_001882 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)C4(CC5CC6CC(C5)C4)C6)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F13 compound treatment 0.333 -0.017 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1589105 ChemDiv1_001883 Cc1cc2nnc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)N)n2c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F14 compound treatment 0.352 0.002 1.0 0.359 0.009 1.0 -1.0 -1.0 1971240 ChemDiv1_001884 COc1ccccc1N(CCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cc(OC)c(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F15 compound treatment 0.334 -0.016 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1390301 ChemDiv1_001885 COc1ccc(cc1)C(=O)Oc2ccc3cc(c4nc5ccccc5s4)c(=O)oc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F16 compound treatment 0.348 -0.002 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971241 ChemDiv1_001886 CCOC/1=NN(C(=O)\C1=C\c2ccc(OC)c(OC)c2OC)c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F17 compound treatment 0.329 -0.021 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971242 ChemDiv1_001887 CC(=O)NC(=O)c1cc2c(ccc3ccccc32)oc1=Nc4ccc(cc4)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F18 compound treatment 0.342 -0.008 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1925212 ChemDiv1_001888 CC(=O)c1ccc(cc1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F19 compound treatment 0.345 -0.005 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971243 ChemDiv1_001889 COc1ccc2nc(NC(=O)NC3(CC4CC5C3)CC(C4)(C5)c6ccc(C)cc6)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F20 compound treatment 0.181 -0.169 -1.0 0.185 -0.165 -1.0 -1.0 -1.0 1971244 ChemDiv1_001890 Fc1ccc(cc1)N2C(=O)C3C4OC(C=C4)C3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F21 compound treatment 0.326 -0.024 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1640432 ChemDiv1_001891 CC1=C(C(NC(=O)N1)c2cccc3ccccc23)C(=O)OCc4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F22 compound treatment 0.343 -0.007 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1354353 ChemDiv1_001892 Cc1ccc2nc(oc2c1)c3ccc(Cl)c(NC(=O)c4cccc(OCc5ccccc5)c4)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 F24 positive control 0.082 -0.268 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G01 compound treatment 0.36 0.01 1.0 0.373 0.023 1.0 -1.0 -1.0 1373501 ChemDiv1_001893 CCOC(=O)c1oc2cc(OCc3ccc(o3)C(=O)OC)ccc2c(=O)c1c4ccc(o4)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G02 compound treatment 0.373 0.023 1.0 0.381 0.031 1.0 -1.0 -1.0 1941626 ChemDiv1_001894 COc1ccc(C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G03 compound treatment 0.331 -0.019 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1322207 ChemDiv1_001895 CCOC(=O)c1oc2cc(OCc3ccccc3)ccc2c(=O)c1c4cnn(c4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G04 compound treatment 0.324 -0.026 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971245 ChemDiv1_001896 CCOC(=O)CSc1nnc(c2cccc(C)c2[N+](=O)[O-])n1c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G05 compound treatment 0.279 -0.071 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1921164 ChemDiv1_001897 CC(=O)N1C(=O)/C(=C/2\SC(=S)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)/c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G06 compound treatment 0.335 -0.015 -1.0 0.351 0.001 1.0 -1.0 -1.0 1971246 ChemDiv1_001898 [O-][N+](=O)c1cc(Cl)ccc1N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G07 compound treatment 0.343 -0.007 -1.0 0.359 0.009 1.0 -1.0 -1.0 1300027 ChemDiv1_001899 COc1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G08 compound treatment 0.35 0.0 -1.0 0.376 0.026 1.0 -1.0 -1.0 1971247 ChemDiv1_001900 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3cc(ccc3O)[N+](=O)[O-])c4cccc(c4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G09 compound treatment 0.36 0.01 1.0 0.377 0.027 1.0 -1.0 -1.0 1971248 ChemDiv1_001901 CC1=C(C(NC(=O)N1)c2ccc(O)c(c2)[N+](=O)[O-])C(=O)OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G10 compound treatment 0.327 -0.023 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971249 ChemDiv1_001902 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCC(F)(F)F)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G11 compound treatment 0.328 -0.022 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1249240 ChemDiv1_001903 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3ccccc3OCc4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G12 compound treatment 0.329 -0.021 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1723791 ChemDiv1_001904 COc1cc(cc(Cl)c1O)C2NC(=O)NC(=C2C(=O)OC3CCCCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G13 compound treatment 0.355 0.005 1.0 0.366 0.016 1.0 -1.0 -1.0 1971250 ChemDiv1_001905 COc1cc(OC)c(/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G14 compound treatment 0.316 -0.034 -1.0 0.294 -0.056 -1.0 -1.0 -1.0 1971251 ChemDiv1_001906 COc1ccc(cc1)C(=O)COC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G15 compound treatment 0.33 -0.02 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971252 ChemDiv1_001907 COc1ccc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])cc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G16 compound treatment 0.368 0.018 1.0 0.362 0.012 1.0 -1.0 -1.0 1180024 ChemDiv1_001908 Cc1ccc(o1)c2cc(C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4cc(C)nc(C)n4)c5ccccc5n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G17 compound treatment 0.351 0.001 1.0 0.36 0.01 1.0 -1.0 -1.0 1971253 ChemDiv1_001909 CC(=O)Oc1ccc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])cc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G18 compound treatment 0.326 -0.024 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1284011 ChemDiv1_001910 Brc1cccc(c1)c2cc(C(=O)Nc3nncs3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G19 compound treatment 0.327 -0.023 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1232029 ChemDiv1_001911 CCOC(=O)c1ccc(Nc2nnc(s2)c3cc4cc(Br)ccc4oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G20 compound treatment 0.366 0.016 1.0 0.375 0.025 1.0 -1.0 -1.0 1730660 ChemDiv1_001912 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G21 compound treatment 0.329 -0.021 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1781930 ChemDiv1_001913 CCN1C(=C(C(NC1=O)c2ccccc2[N+](=O)[O-])C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G22 compound treatment 0.341 -0.009 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1442698 ChemDiv1_001914 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2cc(ccc2C)c3nc4cc(Cl)ccc4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 G24 positive control 0.083 -0.267 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H01 compound treatment 0.383 0.033 1.0 0.393 0.043 1.0 -1.0 -1.0 1971254 ChemDiv1_001915 CCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3ccc(Br)cc3)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H02 compound treatment 0.338 -0.012 -1.0 0.358 0.008 1.0 -1.0 -1.0 1146407 ChemDiv1_001916 CCCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OC3CCCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H03 compound treatment 0.374 0.024 1.0 0.387 0.037 1.0 -1.0 -1.0 1971255 ChemDiv1_001917 Clc1ccc(CC2S/C(=N\c3ccccn3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H04 compound treatment 0.324 -0.026 -1.0 0.351 0.001 1.0 -1.0 -1.0 1203146 ChemDiv1_001918 CC1=C(C(NC(=O)N1)c2cccc(OCc3ccccc3)c2)C(=O)OC4CCCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H05 compound treatment 0.33 -0.02 -1.0 0.354 0.004 1.0 -1.0 -1.0 1864178 ChemDiv1_001919 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)COc3ccc(Cl)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H06 compound treatment 0.316 -0.034 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1368762 ChemDiv1_001920 CC1=C(C(NC(=O)N1)c2ccccc2OCc3ccccc3)C(=O)OCc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H07 compound treatment 0.33 -0.02 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971256 ChemDiv1_001921 CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc4C(=O)c5ccccc5C(=O)c4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H08 compound treatment 0.339 -0.011 -1.0 0.375 0.025 1.0 -1.0 -1.0 1971257 ChemDiv1_001922 COc1ccccc1N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5ccccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H09 compound treatment 0.325 -0.025 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971258 ChemDiv1_001923 COc1ccc(CC2S/C(=N/c3ccccc3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H10 compound treatment 0.352 0.002 1.0 0.357 0.007 1.0 -1.0 -1.0 1971259 ChemDiv1_001924 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccccc3C)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H11 compound treatment 0.303 -0.047 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1175419 ChemDiv1_001925 CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(Oc4ccccc4)cc3)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H12 compound treatment 0.368 0.018 1.0 0.367 0.017 1.0 -1.0 -1.0 1971260 ChemDiv1_001926 COc1ccc(c(O)c1)c2nc(N)nc(c2c3cscn3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H13 compound treatment 0.345 -0.005 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971261 ChemDiv1_001927 NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H14 compound treatment 0.354 0.004 1.0 0.367 0.017 1.0 -1.0 -1.0 1258361 ChemDiv1_001928 COc1cc(cc(OC)c1OC)C(=O)Nc2nnc(s2)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H15 compound treatment 0.329 -0.021 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1182544 ChemDiv1_001929 Fc1ccc(COc2ccc3cc(c4nc5ccccc5s4)c(=O)oc3c2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H16 compound treatment 0.129 -0.221 -1.0 0.126 -0.224 -1.0 -1.0 -1.0 1971262 ChemDiv1_001930 CC1(OC2(C)C=C1)C3C2C(=O)N(C3=O)c4ccc(Cl)c(c4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H17 compound treatment 0.342 -0.008 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971263 ChemDiv1_001931 CCOc1cccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(cc3)C(=O)C)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H18 compound treatment 0.344 -0.006 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1950551 ChemDiv1_001932 CC(=O)Oc1cccc(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H19 compound treatment 0.364 0.014 1.0 0.364 0.014 1.0 -1.0 -1.0 1146483 ChemDiv1_001933 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H20 compound treatment 0.129 -0.221 -1.0 0.131 -0.219 -1.0 -1.0 -1.0 1971264 ChemDiv1_001934 COc1cc(ccc1N2C(=O)C3C4OC(C=C4)C3C2=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H21 compound treatment 0.323 -0.027 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1276264 ChemDiv1_001935 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OC3CCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H22 compound treatment 0.338 -0.012 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971265 ChemDiv1_001936 [O-][N+](=O)c1cccc(c1)c2ccc(o2)C(=O)Nc3ccc(Cl)c(c3)c4nc5ncccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 H24 positive control 0.084 -0.266 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I01 compound treatment 0.361 0.011 1.0 0.371 0.021 1.0 -1.0 -1.0 1214615 ChemDiv1_001937 CCCc1cc2c(=O)c(c3ccc(o3)C(=O)OCC)c(oc2cc1OC)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I02 compound treatment 0.326 -0.024 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1450188 ChemDiv1_001938 CCN1C(=C(C(NC1=O)c2cc3OCOc3cc2Br)C(=O)OCC=C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I03 compound treatment 0.396 0.046 1.0 0.397 0.047 1.0 -1.0 -1.0 1971266 ChemDiv1_001939 NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I04 compound treatment 0.349 -0.001 -1.0 0.362 0.012 1.0 -1.0 -1.0 1712770 ChemDiv1_001940 COc1ccc(OC)c(NC(=O)c2cc3cc(Br)ccc3oc2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I05 compound treatment 0.356 0.006 1.0 0.364 0.014 1.0 -1.0 -1.0 1971267 ChemDiv1_001941 CCOc1ccc(cc1)N2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I06 compound treatment 0.329 -0.021 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971268 ChemDiv1_001942 COc1ccc(cc1N2C(=O)C3C(C4CCC3C=C4)C2=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I07 compound treatment 0.389 0.039 1.0 0.391 0.041 1.0 -1.0 -1.0 1592697 ChemDiv1_001943 COc1ccc(C2CC(=NN2C(=O)C)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I08 compound treatment 0.324 -0.026 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1942111 ChemDiv1_001944 CCOC(=O)c1ccc(cc1)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I09 compound treatment 0.347 -0.003 -1.0 0.361 0.011 1.0 -1.0 -1.0 1483372 ChemDiv1_001945 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3ccc(OC)c(OC)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I10 compound treatment 0.343 -0.007 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1168387 ChemDiv1_001946 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OC(C)C(C)(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I11 compound treatment 0.343 -0.007 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1703145 ChemDiv1_001947 CCN(CC)c1ccc(cc1)C2NC(=O)NC(=C2C(=O)OCc3ccc(OC)cc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I12 compound treatment 0.35 0.0 -1.0 0.364 0.014 1.0 -1.0 -1.0 1971269 ChemDiv1_001948 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OC/C=C/C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I13 compound treatment 0.349 -0.001 -1.0 0.364 0.014 1.0 -1.0 -1.0 1971270 ChemDiv1_001949 COc1cc(/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4)ccc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I14 compound treatment 0.334 -0.016 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971271 ChemDiv1_001950 O=C1C2CCCCC2C(=O)N1c3cccc(OS(=O)(=O)c4ccccc4)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I15 compound treatment 0.345 -0.005 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971272 ChemDiv1_001951 COc1cc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])ccc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I16 compound treatment 0.334 -0.016 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1728109 ChemDiv1_001952 COc1ccc(cc1OC)c2cc(C(=O)Nc3ccccn3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I17 compound treatment 0.306 -0.044 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1971273 ChemDiv1_001953 COc1ccc(Br)cc1/C=C/2\N=C(OC2=O)c3cc(C)ccc3[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I18 compound treatment 0.344 -0.006 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1940022 ChemDiv1_001954 CCOC(=O)CNC(=O)c1cc(nc2ccccc12)c3ccc(Cl)c(Cl)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I19 compound treatment 0.332 -0.018 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971274 ChemDiv1_001955 CCOC(=O)c1ccc(Nc2nnc(s2)c3cc4cc(ccc4oc3=O)[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I20 compound treatment 0.366 0.016 1.0 0.359 0.009 1.0 -1.0 -1.0 1158414 ChemDiv1_001956 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I21 compound treatment 0.33 -0.02 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971275 ChemDiv1_001957 CCN1C(=C(C(NC1=O)c2ccc(Cl)cc2)C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I22 compound treatment 0.352 0.002 1.0 0.355 0.005 1.0 -1.0 -1.0 1656442 ChemDiv1_001958 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2ccc3oc(nc3c2)c4ccncc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 I24 positive control 0.085 -0.265 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J01 compound treatment 0.36 0.01 1.0 0.373 0.023 1.0 -1.0 -1.0 1941673 ChemDiv1_001959 CCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3cc(OC)ccc3OC)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J02 compound treatment 0.329 -0.021 -1.0 0.352 0.002 1.0 -1.0 -1.0 1578196 ChemDiv1_001960 CCCOc1ccccc1C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J03 compound treatment 0.341 -0.009 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1312803 ChemDiv1_001961 CC(NC(=O)OCc1ccccc1)C(=O)Oc2cc(C)c3c(=O)c(coc3c2)c4nc(C)cs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J04 compound treatment 0.358 0.008 1.0 0.368 0.018 1.0 -1.0 -1.0 1275495 ChemDiv1_001962 CCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCc3ccc(C)cc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J05 compound treatment 0.395 0.045 1.0 0.405 0.055 1.0 -1.0 -1.0 1971276 ChemDiv1_001963 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)c3ccco3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J06 compound treatment 0.389 0.039 1.0 0.392 0.042 1.0 -1.0 -1.0 1247977 ChemDiv1_001964 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(OC)c(OC)c4)C(=O)OC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J07 compound treatment 0.367 0.017 1.0 0.401 0.051 1.0 -1.0 -1.0 1423131 ChemDiv1_001965 CC1(C)CC(=O)c2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)nc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J08 compound treatment 0.355 0.005 1.0 0.363 0.013 1.0 -1.0 -1.0 1971277 ChemDiv1_001966 COc1ccc(cc1)C(=O)N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)c5ccccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J09 compound treatment 0.357 0.007 1.0 0.365 0.015 1.0 -1.0 -1.0 1971278 ChemDiv1_001967 Clc1ccc(/N=C/2\NC(=O)C(Cc3ccccc3)S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J10 compound treatment 0.341 -0.009 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971279 ChemDiv1_001968 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(Cl)cc3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J11 compound treatment 0.342 -0.008 -1.0 0.377 0.027 1.0 -1.0 -1.0 1914453 ChemDiv1_001969 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CSc2nncn2c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J12 compound treatment 0.367 0.017 1.0 0.379 0.029 1.0 -1.0 -1.0 1971280 ChemDiv1_001970 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J13 compound treatment 0.35 0.0 -1.0 0.358 0.008 1.0 -1.0 -1.0 1971281 ChemDiv1_001971 CCOC(=O)c1sc(NC(=O)CSc2nnc3ccccn23)c(C(=O)OCC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J14 compound treatment 0.355 0.005 1.0 0.364 0.014 1.0 -1.0 -1.0 1364110 ChemDiv1_001972 COc1ccc(c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)s2)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J15 compound treatment 0.322 -0.028 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1971282 ChemDiv1_001973 Clc1ccccc1c2nc3nnnn3c4ccc(Br)cc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J16 compound treatment 0.223 -0.127 -1.0 0.226 -0.124 -1.0 -1.0 -1.0 1733725 ChemDiv1_001974 COC(=O)c1cccc(c1)N2C(=O)C3C(C2=O)C4(C)OC3(C)C=C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J17 compound treatment 0.342 -0.008 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971283 ChemDiv1_001975 CCN(CC)c1ccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(cc3)C(=O)C)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J18 compound treatment 0.298 -0.052 -1.0 0.307 -0.043 -1.0 -1.0 -1.0 1971284 ChemDiv1_001976 CC1(OC2C=C1)C3C2C(=O)N(C3=O)c4ccc(Br)cc4[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J19 compound treatment 0.308 -0.042 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1971285 ChemDiv1_001977 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ncn(Cc3ccccc3)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J20 compound treatment 0.343 -0.007 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1727741 ChemDiv1_001978 COC(=O)c1cc(ccc1Cl)N2C(=O)C3C4OC(C=C4)C3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J21 compound treatment 0.34 -0.01 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1169287 ChemDiv1_001979 COc1cc(cc(Cl)c1O)C2NC(=O)NC(=C2C(=O)OC3CCCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J22 compound treatment 0.328 -0.022 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1689179 ChemDiv1_001980 Clc1ccc(COc2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 J24 positive control 0.085 -0.265 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K01 compound treatment 0.364 0.014 1.0 0.376 0.026 1.0 -1.0 -1.0 1703967 ChemDiv1_001981 CCOC(=O)c1oc2cc(OC)c(CC)cc2c(=O)c1c3csc(n3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K02 compound treatment 0.353 0.003 1.0 0.374 0.024 1.0 -1.0 -1.0 1118405 ChemDiv1_001982 CCOc1cc(ccc1O)C2NC(=O)N(C)C(=C2C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K03 compound treatment 0.356 0.006 1.0 0.363 0.013 1.0 -1.0 -1.0 1932222 ChemDiv1_001983 CCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)/SC2=S)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K04 compound treatment 0.352 0.002 1.0 0.362 0.012 1.0 -1.0 -1.0 1731867 ChemDiv1_001984 Clc1ccccc1Cn2c(NC(=O)c3ccccc3)nc4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K05 compound treatment 0.389 0.039 1.0 0.384 0.034 1.0 -1.0 -1.0 1971286 ChemDiv1_001985 Oc1ccc(cc1)N2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K06 compound treatment 0.358 0.008 1.0 0.35 0.0 -1.0 -1.0 -1.0 1971287 ChemDiv1_001986 FC(F)(F)c1cc(ccc1Cl)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K07 compound treatment 0.33 -0.02 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1195210 ChemDiv1_001987 COc1ccc(cc1)C(=O)COC(=O)CSc2nc3ccccc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K08 compound treatment 0.342 -0.008 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971288 ChemDiv1_001988 CCOC(=O)c1ccc(cc1)c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(Cl)c4)C)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K09 compound treatment 0.35 0.0 -1.0 0.36 0.01 1.0 -1.0 -1.0 1453359 ChemDiv1_001989 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3ccc(Cl)c(Cl)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K10 compound treatment 0.357 0.007 1.0 0.353 0.003 1.0 -1.0 -1.0 1301725 ChemDiv1_001990 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cc(Br)c(O)c(OC)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K11 compound treatment 0.334 -0.016 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1427294 ChemDiv1_001991 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3ccc(Cl)cc3Cl)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K12 compound treatment 0.334 -0.016 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971289 ChemDiv1_001992 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCCSC)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K13 compound treatment 0.387 0.037 1.0 0.401 0.051 1.0 -1.0 -1.0 1971290 ChemDiv1_001993 COc1ccc(/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K14 compound treatment 0.336 -0.014 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971291 ChemDiv1_001994 CC(=O)n1cc(/C=C/2\N=C(OC2=O)c3ccc(Cl)cc3)c4cc(Br)ccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K15 compound treatment 0.373 0.023 1.0 0.391 0.041 1.0 -1.0 -1.0 1971292 ChemDiv1_001995 COc1cc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K16 compound treatment 0.356 0.006 1.0 0.385 0.035 1.0 -1.0 -1.0 1509207 ChemDiv1_001996 COc1ccc(cc1OC)c2cc(C(=O)NCc3ccc4OCOc4c3)c5ccccc5n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K17 compound treatment 0.31 -0.04 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1971293 ChemDiv1_001997 COc1ccccc1/C=C/C/2=N/C(=C\c3cc(Br)ccc3OC)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K18 compound treatment 0.369 0.019 1.0 0.367 0.017 1.0 -1.0 -1.0 1971294 ChemDiv1_001998 CCOc1ccc(NC(=O)c2cc(nc3ccccc23)c4ccc(OC)c(OC)c4)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K19 compound treatment 0.341 -0.009 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1710024 ChemDiv1_001999 CCOC(=O)c1ccc(Nc2nnc(s2)c3cc4c(ccc5ccccc54)oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K20 compound treatment 0.391 0.041 1.0 0.403 0.053 1.0 -1.0 -1.0 1458520 ChemDiv1_002000 COc1cc(Br)c(cc1OC)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K21 compound treatment 0.375 0.025 1.0 0.367 0.017 1.0 -1.0 -1.0 1971295 ChemDiv1_002001 COc1ccc(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K22 compound treatment 0.345 -0.005 -1.0 0.352 0.002 1.0 -1.0 -1.0 1526287 ChemDiv1_002002 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2ccc(Cl)c(c2)c3nc4cc(C)c(C)cc4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 K24 positive control 0.087 -0.263 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L01 compound treatment 0.381 0.031 1.0 0.387 0.037 1.0 -1.0 -1.0 1923690 ChemDiv1_002003 CCN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L02 compound treatment 0.338 -0.012 -1.0 0.351 0.001 1.0 -1.0 -1.0 1971296 ChemDiv1_002004 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cccc(Br)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L03 compound treatment 0.347 -0.003 -1.0 0.37 0.02 1.0 -1.0 -1.0 1971297 ChemDiv1_002005 CN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)/c4cc(Br)ccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L04 compound treatment 0.339 -0.011 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1565440 ChemDiv1_002006 CC1=C(C(NC(=O)N1)c2cccc(OCc3ccccc3)c2)C(=O)OCCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L05 compound treatment 0.345 -0.005 -1.0 0.362 0.012 1.0 -1.0 -1.0 1563180 ChemDiv1_002007 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc3sc(C)nc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L06 compound treatment 0.338 -0.012 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971298 ChemDiv1_002008 CCCCCOC(=O)C1=C(C)NC(=O)NC1c2cccc(OCc3ccccc3)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L07 compound treatment 0.352 0.002 1.0 0.354 0.004 1.0 -1.0 -1.0 1564043 ChemDiv1_002009 COc1ccc(c2nnc(NC(=O)c3ccc(cc3)C(=O)c4ccccc4)s2)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L08 compound treatment 0.355 0.005 1.0 0.365 0.015 1.0 -1.0 -1.0 1971299 ChemDiv1_002010 COc1ccccc1N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L09 compound treatment 0.374 0.024 1.0 0.38 0.03 1.0 -1.0 -1.0 1696875 ChemDiv1_002011 COc1cc2ccccc2cc1C(=O)Nc3nc-4c(CCc5ccccc45)s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L10 compound treatment 0.331 -0.019 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971300 ChemDiv1_002012 CCOC(=O)c1c(oc2c1cc(OC(=O)c3cccc(c3)[N+](=O)[O-])c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L11 compound treatment 0.365 0.015 1.0 0.363 0.013 1.0 -1.0 -1.0 1342243 ChemDiv1_002013 COc1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L12 compound treatment 0.348 -0.002 -1.0 0.371 0.021 1.0 -1.0 -1.0 1971301 ChemDiv1_002014 CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccs3)c(Br)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L13 compound treatment 0.35 0.0 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971302 ChemDiv1_002015 FS(=O)(=O)CCSc1nc2sc3CCCCc3c2c(=O)n1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L14 compound treatment 0.336 -0.014 -1.0 0.353 0.003 1.0 -1.0 -1.0 1692739 ChemDiv1_002016 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L15 compound treatment 0.359 0.009 1.0 0.37 0.02 1.0 -1.0 -1.0 1971303 ChemDiv1_002017 NNc1nc(c2ccccc2Cl)c3cc(Br)ccc3n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L16 compound treatment 0.193 -0.157 -1.0 0.193 -0.157 -1.0 -1.0 -1.0 1318724 ChemDiv1_002018 CC1(OC2(C)C=C1)C3C2C(=O)N(C3=O)c4ccccc4C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L17 compound treatment 0.379 0.029 1.0 0.381 0.031 1.0 -1.0 -1.0 1971304 ChemDiv1_002019 CC(=O)NC(=O)c1cc2ccc(OC(=O)C)cc2oc1=Nc3ccc(cc3)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L18 compound treatment 0.321 -0.029 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1971305 ChemDiv1_002020 [O-][N+](=O)c1cc(Br)ccc1N2C(=O)C3C4OC(C=C4)C3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L19 compound treatment 0.349 -0.001 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971306 ChemDiv1_002021 CNc1nc2n(C)c(=O)[nH]c(=O)c2n1CCCCCn3c(NC)nc4n(C)c(=O)[nH]c(=O)c34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L20 compound treatment 0.107 -0.243 -1.0 0.11 -0.24 -1.0 -1.0 -1.0 1971307 ChemDiv1_002022 COc1ccc(cc1N2C(=O)C3C4OC(C=C4)C3C2=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L21 compound treatment 0.362 0.012 1.0 0.357 0.007 1.0 -1.0 -1.0 1309374 ChemDiv1_002023 CCCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OC3CCCCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L22 compound treatment 0.334 -0.016 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971308 ChemDiv1_002024 COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)[N+](=O)[O-])C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 L24 positive control 0.087 -0.263 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M01 compound treatment 0.358 0.008 1.0 0.37 0.02 1.0 -1.0 -1.0 1971309 ChemDiv1_002025 CCOC(=O)C(C)Oc1ccc2c(=O)c(c3csc(C)n3)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M02 compound treatment 0.332 -0.018 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1781938 ChemDiv1_002026 CCN1C(=C(C(NC1=O)c2ccc(cc2)[N+](=O)[O-])C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M03 compound treatment 0.36 0.01 1.0 0.391 0.041 1.0 -1.0 -1.0 1922805 ChemDiv1_002027 Cc1ccccc1N2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M04 compound treatment 0.325 -0.025 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1696666 ChemDiv1_002028 CC(C)(C)c1ccc(Cn2c(NC(=O)c3ccccc3)nc4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M05 compound treatment 0.355 0.005 1.0 0.353 0.003 1.0 -1.0 -1.0 1926328 ChemDiv1_002029 COc1ccc(/C=C/2\SC(=S)N(CC(=O)Nc3ncc(Cc4cccc(c4)[N+](=O)[O-])s3)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M06 compound treatment 0.369 0.019 1.0 0.373 0.023 1.0 -1.0 -1.0 1971310 ChemDiv1_002030 CCOC(=O)c1cccc(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M07 compound treatment 0.345 -0.005 -1.0 0.36 0.01 1.0 -1.0 -1.0 1779731 ChemDiv1_002031 OC(=O)c1cccnc1SCc2ccc(cc2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M08 compound treatment 0.413 0.063 1.0 0.393 0.043 1.0 -1.0 -1.0 1971311 ChemDiv1_002032 Clc1ccc(cc1C(=O)OCC=C)c2ccc(C=C3C(=O)NC(=O)NC3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M09 compound treatment 0.378 0.028 1.0 0.385 0.035 1.0 -1.0 -1.0 1450635 ChemDiv1_002033 COc1cc(cc(OC)c1OC)C2NC(=O)NC(=C2C(=O)OC3CCCCCCC3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M10 compound treatment 0.342 -0.008 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1224954 ChemDiv1_002034 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCC3CCCO3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M11 compound treatment 0.378 0.028 1.0 0.391 0.041 1.0 -1.0 -1.0 1519371 ChemDiv1_002035 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cc(Cl)c(O)c(OC)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M12 compound treatment 0.342 -0.008 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1552607 ChemDiv1_002036 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3ccccc3OC(C)C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M13 compound treatment 0.376 0.026 1.0 0.416 0.066 1.0 -1.0 -1.0 1971312 ChemDiv1_002037 Cc1onc(c1C2=N/C(=C\c3cc(Br)cs3)/C(=O)O2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M14 compound treatment 0.372 0.022 1.0 0.361 0.011 1.0 -1.0 -1.0 1971313 ChemDiv1_002038 CC(=O)n1cc(/C=C/2\N=C(OC2=O)c3cccc(C)c3)c4cc(Br)ccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M15 compound treatment 0.329 -0.021 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971314 ChemDiv1_002039 COc1ccc(/C=C/2\N=C(OC2=O)c3cc(ccc3Cl)[N+](=O)[O-])c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M16 compound treatment 0.384 0.034 1.0 0.384 0.034 1.0 -1.0 -1.0 1549520 ChemDiv1_002040 CCN(CC)C(=O)c1sc(NC(=O)c2cc(nc3ccccc23)c4ccc(Br)cc4)c(C#N)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M17 compound treatment 0.347 -0.003 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1736340 ChemDiv1_002041 Brc1ccc(cc1S(=O)(=O)N2CCOCC2)C(=O)Nc3nnc(s3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M18 compound treatment 0.349 -0.001 -1.0 0.365 0.015 1.0 -1.0 -1.0 1971315 ChemDiv1_002042 COCCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(Br)cc2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M19 compound treatment 0.329 -0.021 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1621870 ChemDiv1_002043 COc1ccc(N=c2oc3ccccc3cc2C(=O)Nc4ccccc4OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M20 compound treatment 0.346 -0.004 -1.0 0.355 0.005 1.0 -1.0 -1.0 1505256 ChemDiv1_002044 CC1=C(C(C2=C(CCCC2=O)N1)c3cc4OCOc4cc3Br)C(=O)OCCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M21 compound treatment 0.393 0.043 1.0 0.403 0.053 1.0 -1.0 -1.0 1971316 ChemDiv1_002045 COc1ccc(OC)c(c1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M22 compound treatment 0.333 -0.017 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1593930 ChemDiv1_002046 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2ccc(cc2)C(=O)Nc3cccc(c3)c4nc5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 M24 positive control 0.089 -0.261 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N01 compound treatment 0.369 0.019 1.0 0.39 0.04 1.0 -1.0 -1.0 1941725 ChemDiv1_002047 Clc1ccccc1C(=O)NN2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N02 compound treatment 0.316 -0.034 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1376968 ChemDiv1_002048 CC1=C(C(NC(=O)N1)c2ccccc2OCc3ccccc3)C(=O)OCC4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N03 compound treatment 0.335 -0.015 -1.0 0.354 0.004 1.0 -1.0 -1.0 1971317 ChemDiv1_002049 CCOC(=O)CN1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3cccnc3)C2=O)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N04 compound treatment 0.332 -0.018 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971318 ChemDiv1_002050 CC1=C(C(NC(=O)N1)c2cccc(Br)c2)C(=O)OCc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N05 compound treatment 0.364 0.014 1.0 0.372 0.022 1.0 -1.0 -1.0 1971319 ChemDiv1_002051 [O-][N+](=O)c1cccc(c1)c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N06 compound treatment 0.349 -0.001 -1.0 0.371 0.021 1.0 -1.0 -1.0 1648365 ChemDiv1_002052 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCC4CCCCC4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N07 compound treatment 0.356 0.006 1.0 0.363 0.013 1.0 -1.0 -1.0 1367885 ChemDiv1_002053 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N08 compound treatment 0.363 0.013 1.0 0.374 0.024 1.0 -1.0 -1.0 1971320 ChemDiv1_002054 COc1ccccc1N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cc(OC)c(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N09 compound treatment 0.346 -0.004 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971321 ChemDiv1_002055 COc1ccc(cc1)C2CC(=NN2CN3C(=O)C(=O)c4ccccc34)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N10 compound treatment 0.351 0.001 1.0 0.356 0.006 1.0 -1.0 -1.0 1185592 ChemDiv1_002056 CCOC(=O)c1c(oc2c1cc(OC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N11 compound treatment 0.33 -0.02 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1382490 ChemDiv1_002057 CCc1c2CCCc2nc(SCC(=O)c3cc4ccccc4oc3=O)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N12 compound treatment 0.352 0.002 1.0 0.358 0.008 1.0 -1.0 -1.0 1449777 ChemDiv1_002058 CN(C(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2)S(=O)(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N13 compound treatment 0.437 0.087 1.0 0.444 0.094 1.0 -1.0 -1.0 1971322 ChemDiv1_002059 Cc1nc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)c3c4CCCCc4sc3n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N14 compound treatment 0.348 -0.002 -1.0 0.357 0.007 1.0 -1.0 -1.0 1424072 ChemDiv1_002060 Clc1ccc(c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)s2)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N15 compound treatment 0.389 0.039 1.0 0.401 0.051 1.0 -1.0 -1.0 1971323 ChemDiv1_002061 COc1ccc(cc1)C2=NN(C(C2)c3nc4ccccc4[nH]3)C(=O)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N16 compound treatment 0.282 -0.068 -1.0 0.302 -0.048 -1.0 -1.0 -1.0 1971324 ChemDiv1_002062 CC1(OC2(C)C=C1)C3C2C(=O)N(C3=O)c4cc(ccc4Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N17 compound treatment 0.35 0.0 -1.0 0.359 0.009 1.0 -1.0 -1.0 1971325 ChemDiv1_002063 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(cc3)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N18 compound treatment 0.302 -0.048 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1341482 ChemDiv1_002064 O=C1C2C3OC(C=C3)C2C(=O)N1c4ccc(C#N)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N19 compound treatment 0.325 -0.025 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1929769 ChemDiv1_002065 COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(c3)[N+](=O)[O-])cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N20 compound treatment 0.208 -0.142 -1.0 0.219 -0.131 -1.0 -1.0 -1.0 1971326 ChemDiv1_002066 Cc1ccc(cc1N2C(=O)C3C4OC(C=C4)C3C2=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N21 compound treatment 0.344 -0.006 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1351509 ChemDiv1_002067 COc1ccc(OC)c(c1)C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N22 compound treatment 0.352 0.002 1.0 0.354 0.004 1.0 -1.0 -1.0 1932899 ChemDiv1_002068 Cc1cc(C)c2nc3sc(=Cc4cccn4c5ccc(cc5)[N+](=O)[O-])c(=O)n3c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 N24 positive control 0.087 -0.263 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O01 compound treatment 0.356 0.006 1.0 0.368 0.018 1.0 -1.0 -1.0 1971327 ChemDiv1_002069 CCc1cc2c(=O)c(c3ccc4OCOc4c3)c(oc2c(CN(C)C)c1O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O02 compound treatment 0.327 -0.023 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1640286 ChemDiv1_002070 COc1ccc(Nc2nc(nc(n2)N3CCOCC3)N4CCOCC4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O03 compound treatment 0.335 -0.015 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971328 ChemDiv1_002071 COc1ccc(cc1)N2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O04 compound treatment 0.353 0.003 1.0 0.352 0.002 1.0 -1.0 -1.0 1648428 ChemDiv1_002072 COc1ccc(cc1OC)C(=O)CSc2nc3cc(Cl)ccc3[nH]2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O05 compound treatment 0.333 -0.017 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971329 ChemDiv1_002073 CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O06 compound treatment 0.319 -0.031 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971330 ChemDiv1_002074 CC1(OC2C=C1)C3C2C(=O)N(C3=O)c4cc(ccc4Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O07 compound treatment 0.346 -0.004 -1.0 0.353 0.003 1.0 -1.0 -1.0 1369605 ChemDiv1_002075 CCOc1ccc(cc1)c2nc3ccc(Cl)cn3c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O08 compound treatment 0.353 0.003 1.0 0.354 0.004 1.0 -1.0 -1.0 1971331 ChemDiv1_002076 CN1C(=O)N(C)C(=O)C(=Cc2ccc(o2)c3ccc(Cl)c(c3)C(=O)OCC=C)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O09 compound treatment 0.357 0.007 1.0 0.373 0.023 1.0 -1.0 -1.0 1971332 ChemDiv1_002077 CSCCOC(=O)C1=C(C)NC(=O)NC1c2ccccc2OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O10 compound treatment 0.358 0.008 1.0 0.366 0.016 1.0 -1.0 -1.0 1281759 ChemDiv1_002078 CC1=C(C(NC(=O)N1)c2ccccc2OCc3ccccc3)C(=O)OCC4CCCO4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O11 compound treatment 0.35 0.0 -1.0 0.356 0.006 1.0 -1.0 -1.0 1938419 ChemDiv1_002079 COc1cc(cc(Cl)c1O)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O12 compound treatment 0.37 0.02 1.0 0.371 0.021 1.0 -1.0 -1.0 1447733 ChemDiv1_002080 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCc4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O13 compound treatment 0.359 0.009 1.0 0.371 0.021 1.0 -1.0 -1.0 1971333 ChemDiv1_002081 CCOc1ccc(/C=C/2\N=C(OC2=O)c3c(C)onc3c4ccccc4)c(OC(=O)C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O14 compound treatment 0.349 -0.001 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971334 ChemDiv1_002082 COc1ccc(cc1[N+](=O)[O-])C2=N/C(=C\c3cn(C(=O)C)c4ccc(Br)cc34)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O15 compound treatment 0.351 0.001 1.0 0.367 0.017 1.0 -1.0 -1.0 1971335 ChemDiv1_002083 [O-][N+](=O)c1ccc(Cl)c(c1)C2=N/C(=C/c3cc(Br)cs3)/C(=O)O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O16 compound treatment 0.377 0.027 1.0 0.374 0.024 1.0 -1.0 -1.0 1662549 ChemDiv1_002084 CCN(CC)C(=O)c1sc(NC(=O)c2c(C)onc2c3ccccc3)c(C(=O)OC(C)C)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O17 compound treatment 0.335 -0.015 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971336 ChemDiv1_002085 COc1ccc2nc(nc(c3cccc(c3)[N+](=O)[O-])c2c1)c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O18 compound treatment 0.389 0.039 1.0 0.399 0.049 1.0 -1.0 -1.0 1941579 ChemDiv1_002086 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OCC)c3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O19 compound treatment 0.356 0.006 1.0 0.359 0.009 1.0 -1.0 -1.0 1321319 ChemDiv1_002087 CCOC(=O)c1ccc(N=c2oc3ccccc3cc2C(=O)Nc4ccc(F)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O20 compound treatment 0.381 0.031 1.0 0.389 0.039 1.0 -1.0 -1.0 1971337 ChemDiv1_002088 CCCCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OCC)c3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O21 compound treatment 0.351 0.001 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1940319 ChemDiv1_002089 CCN1C(=C(C(NC1=O)c2ccc(cc2)[N+](=O)[O-])C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O22 compound treatment 0.347 -0.003 -1.0 0.364 0.014 1.0 -1.0 -1.0 1140933 ChemDiv1_002090 COc1ccc(Cl)cc1C(=O)Nc2ccc(cc2)C(=O)Nc3cccc(c3)c4nc5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 O24 positive control 0.093 -0.257 -1.0 0.094 -0.256 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P01 compound treatment 0.351 0.001 1.0 0.358 0.008 1.0 -1.0 -1.0 1682080 ChemDiv1_002091 COC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P02 compound treatment 0.349 -0.001 -1.0 0.362 0.012 1.0 -1.0 -1.0 1548490 ChemDiv1_002092 CC1=C(C(NC(=O)N1)c2cccc(Oc3ccccc3)c2)C(=O)OCC4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P03 compound treatment 0.353 0.003 1.0 0.361 0.011 1.0 -1.0 -1.0 1971338 ChemDiv1_002093 Clc1ccccc1CN2C(=O)/C(=C/3\SC(=S)N(NC(=O)c4cccnc4)C3=O)/c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P04 compound treatment 0.393 0.043 1.0 0.405 0.055 1.0 -1.0 -1.0 1587995 ChemDiv1_002094 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P05 compound treatment 0.382 0.032 1.0 0.39 0.04 1.0 -1.0 -1.0 1136255 ChemDiv1_002095 Cc1ccc(cc1)c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P06 compound treatment 0.455 0.105 1.0 0.461 0.111 1.0 -1.0 -1.0 1618150 ChemDiv1_002096 CCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P07 compound treatment 0.374 0.024 1.0 0.382 0.032 1.0 -1.0 -1.0 1153039 ChemDiv1_002097 Clc1ccc(c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)s2)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P08 compound treatment 0.373 0.023 1.0 0.36 0.01 1.0 -1.0 -1.0 1971339 ChemDiv1_002098 COc1ccccc1N(CCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P09 compound treatment 0.37 0.02 1.0 0.374 0.024 1.0 -1.0 -1.0 1971340 ChemDiv1_002099 Brc1ccc(cc1)c2nc3ccccn3c2Sc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P10 compound treatment 0.378 0.028 1.0 0.385 0.035 1.0 -1.0 -1.0 1971341 ChemDiv1_002100 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccccc4[N+](=O)[O-])cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P11 compound treatment 0.481 0.131 1.0 0.448 0.098 1.0 -1.0 -1.0 1244278 ChemDiv1_002101 Cc1ccc2cc(C3CC(=NN3C(=O)CCC(=O)O)c4ccc(Br)cc4)c(Cl)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P12 compound treatment 0.394 0.044 1.0 0.407 0.057 1.0 -1.0 -1.0 1971342 ChemDiv1_002102 NS(=O)(=O)c1ccc(cc1)c2ccc(/C=C\3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P13 compound treatment 0.36 0.01 1.0 0.368 0.018 1.0 -1.0 -1.0 1971343 ChemDiv1_002103 CCOC(=O)c1c(oc2ccc(OCC(=O)c3ccc(Br)cc3)cc12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P14 compound treatment 0.369 0.019 1.0 0.381 0.031 1.0 -1.0 -1.0 1166262 ChemDiv1_002104 Cc1csc(n1)c2coc3cc(OCC4OC(CO)C(O)C(O)C4O)ccc3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P15 compound treatment 0.486 0.136 1.0 0.484 0.134 1.0 -1.0 -1.0 1927919 ChemDiv1_002105 COc1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P16 compound treatment 0.308 -0.042 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1971344 ChemDiv1_002106 COc1ccc(N2C(=O)C3C(C2=O)C4(C)OC3(C)C=C4)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P17 compound treatment 0.366 0.016 1.0 0.37 0.02 1.0 -1.0 -1.0 1508574 ChemDiv1_002107 COc1ccc2oc(=O)c(cc2c1)c3nc(cs3)c4ccc(Oc5ccccc5)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P18 compound treatment 0.332 -0.018 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1779476 ChemDiv1_002108 [O-][N+](=O)c1ccc(Cl)c(c1)N2C(=O)C3C4OC(C=C4)C3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P19 compound treatment 0.434 0.084 1.0 0.437 0.087 1.0 -1.0 -1.0 1416558 ChemDiv1_002109 COC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P20 compound treatment 0.245 -0.105 -1.0 0.234 -0.116 -1.0 -1.0 -1.0 1971345 ChemDiv1_002110 COc1ccc(cc1N2C(=O)C3C4OC(C=C4)C3C2=O)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P21 compound treatment 0.378 0.028 1.0 0.379 0.029 1.0 -1.0 -1.0 1255634 ChemDiv1_002111 COc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P22 compound treatment 0.387 0.037 1.0 0.389 0.039 1.0 -1.0 -1.0 1178641 ChemDiv1_002112 Nc1c(C#N)c(c(C#N)c2nc3ccccc3n12)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.592 P24 positive control 0.099 -0.251 -1.0 0.098 -0.252 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A01 compound treatment 0.375 0.025 1.0 0.376 0.026 1.0 -1.0 -1.0 1718380 ChemDiv1_002113 CCOc1ccc(cc1OC)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A02 compound treatment 0.363 0.013 1.0 0.357 0.007 1.0 -1.0 -1.0 1971346 ChemDiv1_002114 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A03 compound treatment 0.353 0.003 1.0 0.351 0.001 1.0 -1.0 -1.0 1971347 ChemDiv1_002115 Cc1ccc(cc1Cl)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A04 compound treatment 0.349 -0.001 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1593074 ChemDiv1_002116 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A05 compound treatment 0.352 0.002 1.0 0.35 0.0 -1.0 -1.0 -1.0 1971348 ChemDiv1_002117 COc1cc(/C=C/2\SC(=N)NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A06 compound treatment 0.346 -0.004 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1690099 ChemDiv1_002118 CCOc1ccc(C=c2sc3=NC(=C(C(c4cccs4)n3c2=O)C(=O)OC)C)cc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A07 compound treatment 0.346 -0.004 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1933263 ChemDiv1_002119 Oc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A08 compound treatment 0.349 -0.001 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1358591 ChemDiv1_002120 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4ccccc4)n3c2=O)C(=O)OCC)C)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A09 compound treatment 0.358 0.008 1.0 0.356 0.006 1.0 -1.0 -1.0 1971349 ChemDiv1_002121 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(o3)c4cccc(c4)C(=O)O)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A10 compound treatment 0.349 -0.001 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1549317 ChemDiv1_002122 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(=O)C)c4ccccc34)c(=O)n2C1c5ccc(OC(=O)C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A11 compound treatment 0.357 0.007 1.0 0.355 0.005 1.0 -1.0 -1.0 1971350 ChemDiv1_002123 COc1ccc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A12 compound treatment 0.355 0.005 1.0 0.353 0.003 1.0 -1.0 -1.0 1780903 ChemDiv1_002124 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3)c(=O)n2C1c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A13 compound treatment 0.375 0.025 1.0 0.378 0.028 1.0 -1.0 -1.0 1971351 ChemDiv1_002125 CN(C)c1ccc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A14 compound treatment 0.343 -0.007 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1207244 ChemDiv1_002126 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC(=O)C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A15 compound treatment 0.363 0.013 1.0 0.361 0.011 1.0 -1.0 -1.0 1924347 ChemDiv1_002127 Cc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3)c(C)n1c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A16 compound treatment 0.377 0.027 1.0 0.364 0.014 1.0 -1.0 -1.0 1971352 ChemDiv1_002128 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A17 compound treatment 0.334 -0.016 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1776596 ChemDiv1_002129 OC(=O)c1ccccc1NC(=O)c2ccc(cc2)N3C(=O)c4cccc5c(ccc(C3=O)c45)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A18 compound treatment 0.373 0.023 1.0 0.371 0.021 1.0 -1.0 -1.0 1308118 ChemDiv1_002130 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4cc(OC)c(OC)c(OC)c4)C(=O)CCC3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A19 compound treatment 0.37 0.02 1.0 0.364 0.014 1.0 -1.0 -1.0 1781984 ChemDiv1_002131 [O-][N+](=O)c1ccc(cc1)C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A20 compound treatment 0.337 -0.013 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1682607 ChemDiv1_002132 CC(C)Oc1ccccc1C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A21 compound treatment 0.345 -0.005 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971353 ChemDiv1_002133 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A22 compound treatment 0.369 0.019 1.0 0.363 0.013 1.0 -1.0 -1.0 1938321 ChemDiv1_002134 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCCOC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 A24 positive control 0.077 -0.273 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B01 compound treatment 0.381 0.031 1.0 0.367 0.017 1.0 -1.0 -1.0 1971354 ChemDiv1_002135 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B02 compound treatment 0.336 -0.014 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971355 ChemDiv1_002136 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2I)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B03 compound treatment 0.399 0.049 1.0 0.399 0.049 1.0 -1.0 -1.0 1620902 ChemDiv1_002137 CCC(C)OC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B04 compound treatment 0.36 0.01 1.0 0.351 0.001 1.0 -1.0 -1.0 1971356 ChemDiv1_002138 CCOC(=O)C1=C(CSc2nc(ccc2C#N)c3ccncc3)OC(=C(C#N)C1c4cccnc4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B05 compound treatment 0.332 -0.018 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1971357 ChemDiv1_002139 FC(F)(F)c1ccccc1C2SCC(=O)N2c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B06 compound treatment 0.343 -0.007 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1310442 ChemDiv1_002140 CCOC(=O)C1=C(N)OC(=C(C(=O)OC)C21C(=O)Nc3ccccc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B07 compound treatment 0.342 -0.008 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971358 ChemDiv1_002141 Clc1ccc(cc1)C2CC(=NN2C(=O)c3cccs3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B08 compound treatment 0.368 0.018 1.0 0.376 0.026 1.0 -1.0 -1.0 1327696 ChemDiv1_002142 CC1=C(C(=O)OCC=C)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B09 compound treatment 0.341 -0.009 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1191664 ChemDiv1_002143 COc1cccc(C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B10 compound treatment 0.367 0.017 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1225814 ChemDiv1_002144 CC(C)OC(=O)C1=C(C)OC(=C(C(=O)OC(C)(C)C)C21C(=O)Nc3ccccc32)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B11 compound treatment 0.349 -0.001 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971359 ChemDiv1_002145 CN/1C(=O)/C(=C\2/Sc3ccccc3N2C)/S\C1=N/c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B12 compound treatment 0.347 -0.003 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1203482 ChemDiv1_002146 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C32C(=O)Nc4ccc(Br)cc43)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B13 compound treatment 0.349 -0.001 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1781306 ChemDiv1_002147 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B14 compound treatment 0.34 -0.01 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1782696 ChemDiv1_002148 NC1=C(C#N)C2(C(=O)Nc3ccc(Br)cc32)c4c(O1)c5ccccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B15 compound treatment 0.353 0.003 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1351264 ChemDiv1_002149 CCOC(=O)c1ccc(N=c2oc3cc(ccc3cc2C(=O)N)N(CC)CC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B16 compound treatment 0.335 -0.015 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1690981 ChemDiv1_002150 CC1=C(C(=O)OCC=C)C2(C(=O)Nc3ccc(Cl)cc32)C(=C(N)O1)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B17 compound treatment 0.359 0.009 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1449343 ChemDiv1_002151 CCN(CC)c1ccc2cc(C(=O)NC(=O)C)c(=Nc3cccc(F)c3)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B18 compound treatment 0.381 0.031 1.0 0.372 0.022 1.0 -1.0 -1.0 1971360 ChemDiv1_002152 COc1ccc(Br)cc1C2SCC(=O)N2c3ccc(NC(=O)C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B19 compound treatment 0.344 -0.006 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1375320 ChemDiv1_002153 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2ccccc2F)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B20 compound treatment 0.347 -0.003 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1608537 ChemDiv1_002154 COc1cccc2C3C=CCC3C(Nc12)c4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B21 compound treatment 0.35 0.0 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1294561 ChemDiv1_002155 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2c(F)cccc2Cl)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B22 compound treatment 0.335 -0.015 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1387897 ChemDiv1_002156 CCC(C)c1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 B24 positive control 0.076 -0.274 -1.0 0.076 -0.274 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C01 compound treatment 0.372 0.022 1.0 0.369 0.019 1.0 -1.0 -1.0 1704014 ChemDiv1_002157 Nc1nonc1c2nc3ccccc3n2Cc4nc(N)nc(N)n4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C02 compound treatment 0.36 0.01 1.0 0.357 0.007 1.0 -1.0 -1.0 1459860 ChemDiv1_002158 CCOC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(Cl)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C03 compound treatment 0.349 -0.001 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971361 ChemDiv1_002159 Cn1c(=O)n(C)c2cc(/C=C/3\S/C(=N\c4ccccc4)/N(C3=O)c5ccccc5)ccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C04 compound treatment 0.345 -0.005 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1302106 ChemDiv1_002160 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4cccs4)n3c2=O)C(=O)OCC)C)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C05 compound treatment 0.351 0.001 1.0 0.351 0.001 1.0 -1.0 -1.0 1971362 ChemDiv1_002161 CC1CCN(CC1)c2ccc(/C=C/3\SC(=N)NC3=O)cc2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C06 compound treatment 0.348 -0.002 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1431599 ChemDiv1_002162 COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C07 compound treatment 0.377 0.027 1.0 0.373 0.023 1.0 -1.0 -1.0 1971363 ChemDiv1_002163 COc1cc(Br)cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C08 compound treatment 0.349 -0.001 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1122765 ChemDiv1_002164 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C09 compound treatment 0.348 -0.002 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1928743 ChemDiv1_002165 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C10 compound treatment 0.346 -0.004 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1598076 ChemDiv1_002166 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C11 compound treatment 0.436 0.086 1.0 0.428 0.078 1.0 -1.0 -1.0 1971364 ChemDiv1_002167 COc1ccc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C12 compound treatment 0.375 0.025 1.0 0.375 0.025 1.0 -1.0 -1.0 1779958 ChemDiv1_002168 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C13 compound treatment 0.341 -0.009 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971365 ChemDiv1_002169 COC(=O)c1ccc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C14 compound treatment 0.344 -0.006 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1146770 ChemDiv1_002170 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C15 compound treatment 0.509 0.159 1.0 0.497 0.147 1.0 -1.0 -1.0 1924303 ChemDiv1_002171 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc(C)n(c3C)c4cccc(c4)[N+](=O)[O-])/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C16 compound treatment 0.381 0.031 1.0 0.36 0.01 1.0 -1.0 -1.0 1236840 ChemDiv1_002172 CCOc1ccc(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C17 compound treatment 0.358 0.008 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1778035 ChemDiv1_002173 Oc1cccc(c1)n2c(=O)c3ccc4c(=O)n(c5cccc(O)c5)c(=O)c6ccc(c2=O)c3c46 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C18 compound treatment 0.388 0.038 1.0 0.366 0.016 1.0 -1.0 -1.0 1290095 ChemDiv1_002174 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C19 compound treatment 0.331 -0.019 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1781985 ChemDiv1_002175 Cc1ccc([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C20 compound treatment 0.33 -0.02 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1971366 ChemDiv1_002176 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OCCOc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C21 compound treatment 0.349 -0.001 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971367 ChemDiv1_002177 COc1cc(cc2C3C=CCC3C(Nc12)c4cccc5ccccc45)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C22 compound treatment 0.342 -0.008 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1971368 ChemDiv1_002178 CC(C)Oc1ccccc1C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 C24 positive control 0.078 -0.272 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D01 compound treatment 0.386 0.036 1.0 0.382 0.032 1.0 -1.0 -1.0 1530621 ChemDiv1_002179 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)NC4=C3C(=O)CC(C)(C)C4)C(=O)OCC5CCCO5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D02 compound treatment 0.346 -0.004 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971369 ChemDiv1_002180 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(F)cc2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D03 compound treatment 0.362 0.012 1.0 0.358 0.008 1.0 -1.0 -1.0 1729094 ChemDiv1_002181 CN(C)c1ccc(cc1)C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D04 compound treatment 0.34 -0.01 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1286828 ChemDiv1_002182 CCOC(=O)C1=C(CSc2nc(ccc2C#N)c3ccncc3)OC(=C(C#N)C1c4ccc(OC)cc4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D05 compound treatment 0.355 0.005 1.0 0.35 0.0 -1.0 -1.0 -1.0 1971370 ChemDiv1_002183 CC(=O)Nc1ccc(cc1)N2C(SCC2=O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D06 compound treatment 0.255 -0.095 -1.0 0.251 -0.099 -1.0 -1.0 -1.0 1971371 ChemDiv1_002184 Cc1nn(c2OC(=C(C#N)C3(C(=O)Nc4ccccc43)c12)N)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D07 compound treatment 0.343 -0.007 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971372 ChemDiv1_002185 COc1ccc(cc1)C2=NN(C(C2)c3ccc(Br)cc3)C(=O)c4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D08 compound treatment 0.327 -0.023 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1247845 ChemDiv1_002186 CCCC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D09 compound treatment 0.367 0.017 1.0 0.365 0.015 1.0 -1.0 -1.0 1971373 ChemDiv1_002187 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OCc4ccccc4)c(OC)c3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D10 compound treatment 0.355 0.005 1.0 0.352 0.002 1.0 -1.0 -1.0 1128809 ChemDiv1_002188 CC(C)OC(=O)C1=C(C)OC(=C(C(=O)OCc2ccccc2)C31C(=O)Nc4ccccc43)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D11 compound treatment 0.348 -0.002 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971374 ChemDiv1_002189 CN/1C(=O)/C(=C\2/Sc3ccccc3N2C)/S\C1=N/c4ccc(O)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D12 compound treatment 0.373 0.023 1.0 0.371 0.021 1.0 -1.0 -1.0 1971375 ChemDiv1_002190 CCOC(=O)C1=C(C)OC(=C(C(=O)OCCOC)C21C(=O)Nc3ccc(Br)cc32)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D13 compound treatment 0.343 -0.007 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1320200 ChemDiv1_002191 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D14 compound treatment 0.342 -0.008 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1673984 ChemDiv1_002192 NC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccc(Br)cc43)c5c(O1)c6ccccc6oc5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D15 compound treatment 0.331 -0.019 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1581009 ChemDiv1_002193 COc1ccccc1NC(=O)c2cc3ccccc3oc2=Nc4sc5CCCCc5c4C(=O)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D16 compound treatment 0.338 -0.012 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971376 ChemDiv1_002194 Cc1n[nH]c2OC(=C(C#N)C3(C(=O)Nc4ccc(Br)cc43)c12)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D17 compound treatment 0.34 -0.01 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1419082 ChemDiv1_002195 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D18 compound treatment 0.354 0.004 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971377 ChemDiv1_002196 COc1ccc(cc1)N2C(SCC2=O)c3cc(Br)ccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D19 compound treatment 0.337 -0.013 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971378 ChemDiv1_002197 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2cccnc2)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D20 compound treatment 0.327 -0.023 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1726686 ChemDiv1_002198 COc1cccc2C3C=CCC3C(Nc12)c4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D21 compound treatment 0.333 -0.017 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1971379 ChemDiv1_002199 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2ccccc2[N+](=O)[O-])C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D22 compound treatment 0.348 -0.002 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971380 ChemDiv1_002200 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(O)c(c4)[N+](=O)[O-])C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 D24 positive control 0.079 -0.271 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E01 compound treatment 0.404 0.054 1.0 0.389 0.039 1.0 -1.0 -1.0 1329443 ChemDiv1_002201 COc1cc(cc(Br)c1OC)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E02 compound treatment 0.373 0.023 1.0 0.366 0.016 1.0 -1.0 -1.0 1522905 ChemDiv1_002202 Clc1ccc(cc1)C2C3CC=CC3c4cc(Cl)cc5C6C=CCC6CN2c54 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E03 compound treatment 0.344 -0.006 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971381 ChemDiv1_002203 Cc1cc(C)c2nc3sc(=Cc4ccc(Br)c(c4)[N+](=O)[O-])c(=O)n3c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E04 compound treatment 0.345 -0.005 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1432971 ChemDiv1_002204 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E05 compound treatment 0.344 -0.006 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1971382 ChemDiv1_002205 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cc(C)cc(C)c3)c(cc1OC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E06 compound treatment 0.341 -0.009 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1325087 ChemDiv1_002206 COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E07 compound treatment 0.379 0.029 1.0 0.378 0.028 1.0 -1.0 -1.0 1971383 ChemDiv1_002207 CC1=NN(C(=O)C1/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E08 compound treatment 0.335 -0.015 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1445491 ChemDiv1_002208 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OCC)c3)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E09 compound treatment 0.338 -0.012 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971384 ChemDiv1_002209 COc1cc(OC)c(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E10 compound treatment 0.364 0.014 1.0 0.38 0.03 1.0 -1.0 -1.0 1321744 ChemDiv1_002210 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E11 compound treatment 0.389 0.039 1.0 0.382 0.032 1.0 -1.0 -1.0 1971385 ChemDiv1_002211 Cc1cc(C)cc(/N=C\2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])c(O)c3)/S2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E12 compound treatment 0.351 0.001 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1779959 ChemDiv1_002212 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(=O)C)c4ccccc34)c(=O)n2C1c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E13 compound treatment 0.366 0.016 1.0 0.358 0.008 1.0 -1.0 -1.0 1971386 ChemDiv1_002213 Cc1cc(C)cc(/N=C\2/NC(=O)/C(=C\c3cc(cc([N+](=O)[O-])c3O)[N+](=O)[O-])/S2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E14 compound treatment 0.354 0.004 1.0 0.328 -0.022 -1.0 -1.0 -1.0 1260324 ChemDiv1_002214 COC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E15 compound treatment 0.366 0.016 1.0 0.369 0.019 1.0 -1.0 -1.0 1971387 ChemDiv1_002215 Cc1cc(/C=C\2/S/C(=N\c3ccccc3)/NC2=O)c(C)n1c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E16 compound treatment 0.363 0.013 1.0 0.359 0.009 1.0 -1.0 -1.0 1663602 ChemDiv1_002216 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCc4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E17 compound treatment 0.374 0.024 1.0 0.369 0.019 1.0 -1.0 -1.0 1352920 ChemDiv1_002217 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccc(Cl)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E18 compound treatment 0.376 0.026 1.0 0.363 0.013 1.0 -1.0 -1.0 1971388 ChemDiv1_002218 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)N(C)C)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E19 compound treatment 0.334 -0.016 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1712921 ChemDiv1_002219 COC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E20 compound treatment 0.347 -0.003 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1650038 ChemDiv1_002220 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCc4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E21 compound treatment 0.355 0.005 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971389 ChemDiv1_002221 COc1cc(cc2C3C=CCC3C(Nc12)c4ccc(F)cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E22 compound treatment 0.328 -0.022 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1938323 ChemDiv1_002222 CCOCCOC(=O)C1=C(C)NC(=O)NC1c2ccccc2OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 E24 positive control 0.081 -0.269 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F01 compound treatment 0.344 -0.006 -1.0 0.357 0.007 1.0 -1.0 -1.0 1189330 ChemDiv1_002223 CCOc1cc(ccc1O)C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F02 compound treatment 0.346 -0.004 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971390 ChemDiv1_002224 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(C#N)cc2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F03 compound treatment 0.38 0.03 1.0 0.372 0.022 1.0 -1.0 -1.0 1971391 ChemDiv1_002225 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4ccc(O)cc4)C(=O)OCCOc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F04 compound treatment 0.36 0.01 1.0 0.355 0.005 1.0 -1.0 -1.0 1971392 ChemDiv1_002226 Cc1cc(c2c(N)c(sc2n1)C(=O)Nc3ccc(F)cc3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F05 compound treatment 0.357 0.007 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1435515 ChemDiv1_002227 Cc1ccc(cc1)C(=O)N2N=C(CC2c3ccc4OCOc4c3)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F06 compound treatment 0.365 0.015 1.0 0.361 0.011 1.0 -1.0 -1.0 1267683 ChemDiv1_002228 NC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccccc43)C5=C(CCCC5=O)O1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F07 compound treatment 0.36 0.01 1.0 0.362 0.012 1.0 -1.0 -1.0 1943751 ChemDiv1_002229 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F08 compound treatment 0.352 0.002 1.0 0.353 0.003 1.0 -1.0 -1.0 1615234 ChemDiv1_002230 CCCC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F09 compound treatment 0.347 -0.003 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971393 ChemDiv1_002231 CCCCCOC(=O)C1=C(C)NC(=O)NC1c2cc3OCOc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F10 compound treatment 0.364 0.014 1.0 0.355 0.005 1.0 -1.0 -1.0 1971394 ChemDiv1_002232 COCC1=C(C(=O)OC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F11 compound treatment 0.368 0.018 1.0 0.359 0.009 1.0 -1.0 -1.0 1971395 ChemDiv1_002233 Cc1ccc(cc1)c2csc(n2)N3N=C(CC3=O)c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F12 compound treatment 0.34 -0.01 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1484169 ChemDiv1_002234 CCOC(=O)C1=C(OC(=C(C#N)C21C(=O)Nc3ccc(Br)cc32)N)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F13 compound treatment 0.365 0.015 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971396 ChemDiv1_002235 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCCSCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F14 compound treatment 0.369 0.019 1.0 0.365 0.015 1.0 -1.0 -1.0 1971397 ChemDiv1_002236 COC(=O)C1=C(N)OC(=C(C(=O)C)C21C(=O)Nc3ccc(Br)cc32)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F15 compound treatment 0.314 -0.036 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1971398 ChemDiv1_002237 CC(=O)NC(=O)c1cc2cc(ccc2oc1=Nc3ccc(Cl)cc3Cl)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F16 compound treatment 0.356 0.006 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1441340 ChemDiv1_002238 COC(=O)C1=C(C)OC(=C(C(=O)OC(C)C)C21C(=O)Nc3ccccc32)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F17 compound treatment 0.35 0.0 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1141289 ChemDiv1_002239 CCN(CC)c1ccc2cc(C(=O)NC(=O)C)c(=Nc3ccc(OC)cc3)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F18 compound treatment 0.341 -0.009 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1971399 ChemDiv1_002240 Cc1cc(ccc1Br)N2C(SCC2=O)c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F19 compound treatment 0.34 -0.01 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1971400 ChemDiv1_002241 CC1=C(C(C(=C(N)O1)C#N)c2c(C)nn(c2Cl)c3ccccc3)C(=O)OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F20 compound treatment 0.347 -0.003 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1611243 ChemDiv1_002242 Cc1cc(C)c2C3C=CCC3C(Nc2c1)c4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F21 compound treatment 0.341 -0.009 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1971401 ChemDiv1_002243 COCC1=C(C(C(=C(N)O1)C#N)c2cccnc2)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F22 compound treatment 0.347 -0.003 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971402 ChemDiv1_002244 CC(=O)/N=C/1\NC(=O)\C(=C\c2cc3OCOc3cc2Br)\S1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 F24 positive control 0.082 -0.268 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G01 compound treatment 0.392 0.042 1.0 0.388 0.038 1.0 -1.0 -1.0 1971403 ChemDiv1_002245 Cc1cc(C)c2nc3sc(=Cc4ccc(o4)c5ccccc5[N+](=O)[O-])c(=O)n3c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G02 compound treatment 0.383 0.033 1.0 0.376 0.026 1.0 -1.0 -1.0 1971404 ChemDiv1_002246 Cc1cccc(CC2S/C(=N\c3ccccn3)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G03 compound treatment 0.342 -0.008 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1524433 ChemDiv1_002247 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G04 compound treatment 0.343 -0.007 -1.0 0.353 0.003 1.0 -1.0 -1.0 1640243 ChemDiv1_002248 CCOc1cc(C=c2sc3=NC(=C(C(c4ccc(OC)cc4)n3c2=O)C(=O)OC)C)ccc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G05 compound treatment 0.401 0.051 1.0 0.389 0.039 1.0 -1.0 -1.0 1924412 ChemDiv1_002249 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cc(C)cc(C)c3)cc([N+](=O)[O-])c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G06 compound treatment 0.351 0.001 1.0 0.352 0.002 1.0 -1.0 -1.0 1305259 ChemDiv1_002250 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G07 compound treatment 0.354 0.004 1.0 0.35 0.0 -1.0 -1.0 -1.0 1971405 ChemDiv1_002251 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc(Cl)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G08 compound treatment 0.36 0.01 1.0 0.351 0.001 1.0 -1.0 -1.0 1374674 ChemDiv1_002252 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G09 compound treatment 0.385 0.035 1.0 0.382 0.032 1.0 -1.0 -1.0 1971406 ChemDiv1_002253 COc1cc(Br)cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G10 compound treatment 0.376 0.026 1.0 0.367 0.017 1.0 -1.0 -1.0 1222774 ChemDiv1_002254 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G11 compound treatment 0.339 -0.011 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1971407 ChemDiv1_002255 COc1cc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)c(cc1OC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G12 compound treatment 0.352 0.002 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1780904 ChemDiv1_002256 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4cccc(c4)[N+](=O)[O-])n3c2=O)C(=O)OCC)C)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G13 compound treatment 0.351 0.001 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971408 ChemDiv1_002257 CN1C(=O)N(C)C(=O)C(=Cc2cc(C)n(c2C)c3ccc(OC(=O)C)cc3)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G14 compound treatment 0.342 -0.008 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1538143 ChemDiv1_002258 CCN1C(=O)C(=c2sc3=NC(=C(C(c4cccs4)n3c2=O)C(=O)OC)C)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G15 compound treatment 0.344 -0.006 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971409 ChemDiv1_002259 CCOC(=O)c1ccc(cc1)n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G16 compound treatment 0.39 0.04 1.0 0.372 0.022 1.0 -1.0 -1.0 1971410 ChemDiv1_002260 CCCOc1ccc(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCCOC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G17 compound treatment 0.347 -0.003 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1971411 ChemDiv1_002261 CC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G18 compound treatment 0.372 0.022 1.0 0.366 0.016 1.0 -1.0 -1.0 1971412 ChemDiv1_002262 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G19 compound treatment 0.347 -0.003 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1390334 ChemDiv1_002263 COC(=O)c1ccc2NC(C3CC=CC3c2c1)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G20 compound treatment 0.335 -0.015 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1971413 ChemDiv1_002264 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCC(F)(F)F)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G21 compound treatment 0.342 -0.008 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1476764 ChemDiv1_002265 Clc1ccc(cc1)C2C3CC=CC3c4cc(Br)cc5C6C=CCC6CN2c54 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G22 compound treatment 0.348 -0.002 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1646074 ChemDiv1_002266 CC1=C(C(NC(=O)N1)c2cc3OCOc3cc2Br)C(=O)OCC4CCCO4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 G24 positive control 0.085 -0.265 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H01 compound treatment 0.393 0.043 1.0 0.394 0.044 1.0 -1.0 -1.0 1189243 ChemDiv1_002267 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCc4ccc5OCOc5c4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H02 compound treatment 0.367 0.017 1.0 0.359 0.009 1.0 -1.0 -1.0 1320360 ChemDiv1_002268 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(cc2)C(C)C)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H03 compound treatment 0.378 0.028 1.0 0.372 0.022 1.0 -1.0 -1.0 1216330 ChemDiv1_002269 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC(C)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H04 compound treatment 0.348 -0.002 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1497694 ChemDiv1_002270 NC1=C(C#N)C2(C(=O)Nc3ccccc32)C4=C(CCCC4=O)O1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H05 compound treatment 0.341 -0.009 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971414 ChemDiv1_002271 COc1ccc(cc1)C2CC(=NN2C(=O)c3ccc(C)cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H06 compound treatment 0.351 0.001 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971415 ChemDiv1_002272 NC1=C(C#N)C2(C(=O)Nc3ccc(cc32)[N+](=O)[O-])C4=C(CCCC4=O)O1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H07 compound treatment 0.341 -0.009 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1622742 ChemDiv1_002273 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccc(C)cc3)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H08 compound treatment 0.353 0.003 1.0 0.329 -0.021 -1.0 -1.0 -1.0 1448234 ChemDiv1_002274 CCCC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OC(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H09 compound treatment 0.357 0.007 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971416 ChemDiv1_002275 CCN1C(=O)/C(=C/C=C\2/N(CC)c3ccc(cc3N2CC)S(=O)(=O)N(C)C)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H10 compound treatment 0.358 0.008 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1644137 ChemDiv1_002276 CC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccccc43)C(=C(N)O1)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H11 compound treatment 0.346 -0.004 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1971417 ChemDiv1_002277 CCN(CC)c1ccc(/C=C\2/C(=NN(C2=O)c3nc(cs3)c4ccccc4O)C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H12 compound treatment 0.376 0.026 1.0 0.362 0.012 1.0 -1.0 -1.0 1971418 ChemDiv1_002278 CCOC(=O)C1=C(OC(=C(C(=O)OCCOC)C21C(=O)Nc3ccc(Br)cc32)N)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H13 compound treatment 0.347 -0.003 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1383058 ChemDiv1_002279 CCN(CC)c1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H14 compound treatment 0.357 0.007 1.0 0.353 0.003 1.0 -1.0 -1.0 1416895 ChemDiv1_002280 CC(C)(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)C31C(=O)Nc4ccc(Br)cc43 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H15 compound treatment 0.341 -0.009 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1450078 ChemDiv1_002281 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3cccc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H16 compound treatment 0.356 0.006 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1421706 ChemDiv1_002282 CC(C)OC(=O)C1=C(N)OC(=C(C(=O)OC(C)(C)C)C21C(=O)Nc3ccccc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H17 compound treatment 0.391 0.041 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1185417 ChemDiv1_002283 COc1ccc(N=c2oc3cc(OC(=O)C)ccc3cc2C(=O)NC(=O)C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H18 compound treatment 0.329 -0.021 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1971419 ChemDiv1_002284 [O-][N+](=O)c1ccc(cc1)C2SCC(=O)N2c3ccc(Oc4ccccc4)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H19 compound treatment 0.358 0.008 1.0 0.326 -0.024 -1.0 -1.0 -1.0 1971420 ChemDiv1_002285 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2c(C)nn(c2Cl)c3ccccc3)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H20 compound treatment 0.265 -0.085 -1.0 0.276 -0.074 -1.0 -1.0 -1.0 1782544 ChemDiv1_002286 OC(=O)c1ccc([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H21 compound treatment 0.344 -0.006 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971421 ChemDiv1_002287 Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H22 compound treatment 0.348 -0.002 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971422 ChemDiv1_002288 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(cc4)c5nc(c6ccccc6)c7ccccc7n5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 H24 positive control 0.084 -0.266 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I01 compound treatment 0.425 0.075 1.0 0.428 0.078 1.0 -1.0 -1.0 1274747 ChemDiv1_002289 Cc1cc(C)c2nc3sc(=Cc4ccc(o4)c5ccccc5C(=O)O)c(=O)n3c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I02 compound treatment 0.375 0.025 1.0 0.377 0.027 1.0 -1.0 -1.0 1971423 ChemDiv1_002290 [O-][N+](=O)c1ccccc1CC2S/C(=N\c3ccc(Cl)cc3)/NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I03 compound treatment 0.402 0.052 1.0 0.402 0.052 1.0 -1.0 -1.0 1935572 ChemDiv1_002291 [O-][N+](=O)c1ccc(Cl)c(c1)c2ccc(/C=C/3\SC(=N)NC3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I04 compound treatment 0.352 0.002 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1672023 ChemDiv1_002292 COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I05 compound treatment 0.546 0.196 1.0 0.448 0.098 1.0 -1.0 -1.0 1971424 ChemDiv1_002293 CC1=NN(C(=O)C1/C=C/2\C(=O)NC(=O)N(C2=O)c3cc(C)cc(C)c3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I06 compound treatment 0.377 0.027 1.0 0.369 0.019 1.0 -1.0 -1.0 1252672 ChemDiv1_002294 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I07 compound treatment 0.352 0.002 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971425 ChemDiv1_002295 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc(Br)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I08 compound treatment 0.344 -0.006 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1687864 ChemDiv1_002296 CCN1C(=O)C(=c2sc3=NC(=C(C(c4ccccc4)n3c2=O)C(=O)OC)C)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I09 compound treatment 0.347 -0.003 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971426 ChemDiv1_002297 COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc(Br)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I10 compound treatment 0.373 0.023 1.0 0.359 0.009 1.0 -1.0 -1.0 1655329 ChemDiv1_002298 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OCC)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I11 compound treatment 0.359 0.009 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971427 ChemDiv1_002299 Cc1cc(C)cc(/N=C\2/NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])/S2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I12 compound treatment 0.354 0.004 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1330410 ChemDiv1_002300 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4ccc(OC)cc4)n3c2=O)C(=O)OC)C)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I13 compound treatment 0.409 0.059 1.0 0.395 0.045 1.0 -1.0 -1.0 1971428 ChemDiv1_002301 CC(=O)Oc1ccc(cc1)n2c(C)cc(/C=C/3\C(=O)NC(=S)N(C3=O)c4ccccc4)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I14 compound treatment 0.349 -0.001 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1679704 ChemDiv1_002302 CCN1C(=O)C(=c2sc3=NC(=C(C(c4ccc(OC)cc4)n3c2=O)C(=O)OC)C)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I15 compound treatment 0.372 0.022 1.0 0.355 0.005 1.0 -1.0 -1.0 1971429 ChemDiv1_002303 CCOC(=O)c1ccc(cc1)n2c(C)cc(/C=C\3/C(=NN(C3=O)c4ccccc4)C)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I16 compound treatment 0.374 0.024 1.0 0.365 0.015 1.0 -1.0 -1.0 1971430 ChemDiv1_002304 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)[N+](=O)[O-])C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I17 compound treatment 0.355 0.005 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1782374 ChemDiv1_002305 Cc1ccc([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I18 compound treatment 0.365 0.015 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1782453 ChemDiv1_002306 CC(C)COC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3[N+](=O)[O-])C(=O)CC(C2)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I19 compound treatment 0.345 -0.005 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1781978 ChemDiv1_002307 Cc1ccc([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I20 compound treatment 0.347 -0.003 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1429302 ChemDiv1_002308 COc1cc(Br)c(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I21 compound treatment 0.347 -0.003 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971431 ChemDiv1_002309 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I22 compound treatment 0.401 0.051 1.0 0.368 0.018 1.0 -1.0 -1.0 1731338 ChemDiv1_002310 CCOc1ccc(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 I24 positive control 0.09 -0.26 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J01 compound treatment 0.442 0.092 1.0 0.44 0.09 1.0 -1.0 -1.0 1326502 ChemDiv1_002311 COC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J02 compound treatment 0.373 0.023 1.0 0.369 0.019 1.0 -1.0 -1.0 1971432 ChemDiv1_002312 NC1=C(C#N)C(c2cc(ccc2Cl)[N+](=O)[O-])c3c(O1)c4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J03 compound treatment 0.369 0.019 1.0 0.365 0.015 1.0 -1.0 -1.0 1971433 ChemDiv1_002313 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J04 compound treatment 0.361 0.011 1.0 0.367 0.017 1.0 -1.0 -1.0 1783628 ChemDiv1_002314 CCOC(=O)C1=C(C)OC(=C(C#N)C21C(=O)Nc3ccccc32)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J05 compound treatment 0.368 0.018 1.0 0.375 0.025 1.0 -1.0 -1.0 1295423 ChemDiv1_002315 COc1ccc(cc1)C2CC(=NN2C(=O)c3cc(OC)c(OC)c(OC)c3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J06 compound treatment 0.357 0.007 1.0 0.353 0.003 1.0 -1.0 -1.0 1971434 ChemDiv1_002316 COC(=O)C1=C(C)OC(=C(C#N)C21C(=O)Nc3ccc(cc32)[N+](=O)[O-])N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J07 compound treatment 0.351 0.001 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1587975 ChemDiv1_002317 CC(=O)N1CCN(CC1)c2nc(c3ccccc3)c4cc(Cl)ccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J08 compound treatment 0.356 0.006 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1262197 ChemDiv1_002318 CC(C)OC(=O)C1=C(C)OC(=C(C#N)C21C(=O)Nc3ccccc32)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J09 compound treatment 0.351 0.001 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971435 ChemDiv1_002319 CN1CCc2c([nH]c3ccc(C)cc23)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J10 compound treatment 0.384 0.034 1.0 0.371 0.021 1.0 -1.0 -1.0 1298599 ChemDiv1_002320 COC(=O)C1=C(N)OC(=C(C(=O)OCc2ccccc2)C31C(=O)Nc4ccccc43)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J11 compound treatment 0.357 0.007 1.0 0.352 0.002 1.0 -1.0 -1.0 1596154 ChemDiv1_002321 Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J12 compound treatment 0.388 0.038 1.0 0.378 0.028 1.0 -1.0 -1.0 1135833 ChemDiv1_002322 NC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccc(Br)cc43)C5=C(CCCC5=O)O1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J13 compound treatment 0.375 0.025 1.0 0.36 0.01 1.0 -1.0 -1.0 1732913 ChemDiv1_002323 Brc1ccc2oc(=O)c(cc2c1)c3nnc(Nc4cccc5ccccc45)s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J14 compound treatment 0.351 0.001 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1551958 ChemDiv1_002324 CC1=C(C(=O)OC(C)(C)C)C2(C(=O)Nc3ccc(Br)cc32)C(=C(N)O1)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J15 compound treatment 0.352 0.002 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971436 ChemDiv1_002325 CC(=O)NC(=O)c1cc2cc(ccc2oc1=Nc3cccc4ccccc34)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J16 compound treatment 0.364 0.014 1.0 0.354 0.004 1.0 -1.0 -1.0 1662244 ChemDiv1_002326 CC(C)OC(=O)C1=C(C)OC(=C(C(=O)OC(C)C)C21C(=O)Nc3ccccc32)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J17 compound treatment 0.374 0.024 1.0 0.354 0.004 1.0 -1.0 -1.0 1971437 ChemDiv1_002327 NC(=O)c1cc2cc(Cl)ccc2oc1=Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J18 compound treatment 0.346 -0.004 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1971438 ChemDiv1_002328 Cc1cc(ccc1Br)N2C(SCC2=O)c3cccc(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J19 compound treatment 0.348 -0.002 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1699225 ChemDiv1_002329 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2ccc(OC)cc2)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J20 compound treatment 0.283 -0.067 -1.0 0.283 -0.067 -1.0 -1.0 -1.0 1782545 ChemDiv1_002330 OC(=O)c1ccc([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J21 compound treatment 0.353 0.003 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971439 ChemDiv1_002331 CCc1nc(SCC(=O)Nc2cccc(c2)C(F)(F)F)c(C#N)cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J22 compound treatment 0.365 0.015 1.0 0.356 0.006 1.0 -1.0 -1.0 1971440 ChemDiv1_002332 OC(=O)c1ccc(/N=C\2/SC(Cc3ccc(SC(F)F)cc3)C(=O)N2CC=C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 J24 positive control 0.083 -0.267 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K01 compound treatment 0.396 0.046 1.0 0.393 0.043 1.0 -1.0 -1.0 1971441 ChemDiv1_002333 Cc1cc2nc3sc(=Cc4ccc(o4)c5ccccc5[N+](=O)[O-])c(=O)n3c2cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K02 compound treatment 0.574 0.224 1.0 0.549 0.199 1.0 -1.0 -1.0 1971442 ChemDiv1_002334 COc1ccc(/C=C\2/SC(=S)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K03 compound treatment 0.404 0.054 1.0 0.407 0.057 1.0 -1.0 -1.0 1780852 ChemDiv1_002335 Cc1cc2nc3sc(=Cc4cccn4c5ccc(cc5)[N+](=O)[O-])c(=O)n3c2cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K04 compound treatment 0.356 0.006 1.0 0.357 0.007 1.0 -1.0 -1.0 1225965 ChemDiv1_002336 COC(=O)C1=C(C)N=c2sc(=Cc3cccc(Br)c3)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K05 compound treatment 0.358 0.008 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971443 ChemDiv1_002337 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc(Br)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K06 compound treatment 0.344 -0.006 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1515245 ChemDiv1_002338 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K07 compound treatment 0.547 0.197 1.0 0.525 0.175 1.0 -1.0 -1.0 1971444 ChemDiv1_002339 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)cc3O)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K08 compound treatment 0.38 0.03 1.0 0.36 0.01 1.0 -1.0 -1.0 1594106 ChemDiv1_002340 COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K09 compound treatment 0.35 0.0 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971445 ChemDiv1_002341 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(o3)c4ccccc4C(=O)O)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K10 compound treatment 0.421 0.071 1.0 0.396 0.046 1.0 -1.0 -1.0 1780900 ChemDiv1_002342 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K11 compound treatment 0.538 0.188 1.0 0.509 0.159 1.0 -1.0 -1.0 1971446 ChemDiv1_002343 COc1cc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)cc([N+](=O)[O-])c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K12 compound treatment 0.349 -0.001 -1.0 0.384 0.034 1.0 -1.0 -1.0 1724500 ChemDiv1_002344 COC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K13 compound treatment 0.447 0.097 1.0 0.399 0.049 1.0 -1.0 -1.0 1971447 ChemDiv1_002345 CC(=O)Oc1ccc(cc1)n2c(C)cc(/C=C/3\C(=O)NC(=S)N(C3=O)c4ccc(C)cc4)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K14 compound treatment 0.361 0.011 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971448 ChemDiv1_002346 Cc1cc(ccc1NC(=O)CC2S/C(=N/c3ccccc3)/N(C2=O)c4ccccc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K15 compound treatment 0.394 0.044 1.0 0.384 0.034 1.0 -1.0 -1.0 1971449 ChemDiv1_002347 CCOC(=O)c1ccc(cc1)n2c(C)cc(/C=C/3\C(=O)NC(=S)N(C3=O)c4ccccc4)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K16 compound treatment 0.394 0.044 1.0 0.381 0.031 1.0 -1.0 -1.0 1971450 ChemDiv1_002348 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)C)cc3)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K17 compound treatment 0.385 0.035 1.0 0.365 0.015 1.0 -1.0 -1.0 1257065 ChemDiv1_002349 Brc1ccc(cc1)C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K18 compound treatment 0.382 0.032 1.0 0.37 0.02 1.0 -1.0 -1.0 1971451 ChemDiv1_002350 CCOc1ccccc1C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OCCOC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K19 compound treatment 0.358 0.008 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1781758 ChemDiv1_002351 NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K20 compound treatment 0.404 0.054 1.0 0.382 0.032 1.0 -1.0 -1.0 1971452 ChemDiv1_002352 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4cc5OCOc5cc4[N+](=O)[O-])C(=O)CC(C)(C)C3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K21 compound treatment 0.327 -0.023 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971453 ChemDiv1_002353 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K22 compound treatment 0.382 0.032 1.0 0.369 0.019 1.0 -1.0 -1.0 1469160 ChemDiv1_002354 CCC(C)OC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3OC)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 K24 positive control 0.084 -0.266 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L01 compound treatment 0.386 0.036 1.0 0.374 0.024 1.0 -1.0 -1.0 1689353 ChemDiv1_002355 CC1=C(C(NC(=O)N1)c2cccc(OCc3ccccc3)c2)C(=O)OCC4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L02 compound treatment 0.351 0.001 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971454 ChemDiv1_002356 CC(=O)C1=C(C)OC(=C(C#N)C1c2cc(ccc2Cl)[N+](=O)[O-])N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L03 compound treatment 0.382 0.032 1.0 0.388 0.038 1.0 -1.0 -1.0 1782454 ChemDiv1_002357 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc5OCOc5c4)C(=O)OCc6ccccc6)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L04 compound treatment 0.353 0.003 1.0 0.36 0.01 1.0 -1.0 -1.0 1573226 ChemDiv1_002358 CCOC(=O)C1=C(OC(=C(C#N)C21C(=O)Nc3ccccc32)N)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L05 compound treatment 0.355 0.005 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1355723 ChemDiv1_002359 COc1ccc(cc1)C2CC(=NN2C(=O)c3cccs3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L06 compound treatment 0.355 0.005 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1782693 ChemDiv1_002360 CC1=C(C(=O)OCC=C)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L07 compound treatment 0.347 -0.003 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1622777 ChemDiv1_002361 CC(=O)N1CCN(CC1)c2nc(c3ccccc3)c4cc(Br)ccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L08 compound treatment 0.365 0.015 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1654079 ChemDiv1_002362 CCOC(=O)C1=C(N)OC(=C(C(=O)OC(C)C)C21C(=O)Nc3ccccc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L09 compound treatment 0.352 0.002 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1208054 ChemDiv1_002363 O=C1N(CCc2c1n(Cc3ccccc3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L10 compound treatment 0.377 0.027 1.0 0.37 0.02 1.0 -1.0 -1.0 1971455 ChemDiv1_002364 COCCOC(=O)C1=C(N)OC(=C(C(=O)OCc2ccccc2)C31C(=O)Nc4ccccc43)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L11 compound treatment 0.382 0.032 1.0 0.367 0.017 1.0 -1.0 -1.0 1781307 ChemDiv1_002365 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L12 compound treatment 0.37 0.02 1.0 0.368 0.018 1.0 -1.0 -1.0 1971456 ChemDiv1_002366 COCCOC(=O)C1=C(N)OC(=C(C(=O)OC)C21C(=O)Nc3ccc(Br)cc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L13 compound treatment 0.409 0.059 1.0 0.392 0.042 1.0 -1.0 -1.0 1529582 ChemDiv1_002367 CCN(CC)c1ccc2cc(c3nnc(Nc4ccc(Br)cc4)s3)c(=O)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L14 compound treatment 0.362 0.012 1.0 0.36 0.01 1.0 -1.0 -1.0 1971457 ChemDiv1_002368 COC(=O)C1=C(N)OC(=C(C(=O)C)C21C(=O)Nc3ccc(Br)cc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L15 compound treatment 0.356 0.006 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1157093 ChemDiv1_002369 CCN(CC)c1ccc2cc(C(=O)NC(=O)C)c(=Nc3cccc4ccccc34)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L16 compound treatment 0.384 0.034 1.0 0.361 0.011 1.0 -1.0 -1.0 1456377 ChemDiv1_002370 CC(C)OC(=O)C1=C(N)OC(=C(C(=O)OCc2ccccc2)C31C(=O)Nc4ccccc43)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L17 compound treatment 0.357 0.007 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971458 ChemDiv1_002371 COc1cccc2cc(C(=O)N)c(=Nc3cc(ccc3Cl)C(F)(F)F)oc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L18 compound treatment 0.339 -0.011 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971459 ChemDiv1_002372 [O-][N+](=O)c1cccc(c1)C2SCC(=O)N2c3ccc(Oc4ccccc4)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L19 compound treatment 0.345 -0.005 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1236786 ChemDiv1_002373 CCOC(=O)C1=C(C)NC(=C(C#N)C1c2cccs2)SCC(=O)C3(CC4CC5CC(C4)C3)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L20 compound treatment 0.356 0.006 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1535943 ChemDiv1_002374 Clc1ccc(C2Nc3ccc4ccccc4c3C5C=CCC52)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L21 compound treatment 0.357 0.007 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971460 ChemDiv1_002375 FC(F)(F)c1cccc(NC(=O)CSc2nc3CCCc3cc2C#N)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L22 compound treatment 0.377 0.027 1.0 0.372 0.022 1.0 -1.0 -1.0 1971461 ChemDiv1_002376 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(O)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 L24 positive control 0.084 -0.266 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M01 compound treatment 0.371 0.021 1.0 0.366 0.016 1.0 -1.0 -1.0 1615293 ChemDiv1_002377 Cc1cc(C)c2nc3sc(=Cc4cc5OCOc5cc4Br)c(=O)n3c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M02 compound treatment 0.356 0.006 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1271408 ChemDiv1_002378 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M03 compound treatment 0.416 0.066 1.0 0.419 0.069 1.0 -1.0 -1.0 1971462 ChemDiv1_002379 O=C1/C(=C/c2c[nH]nc2c3ccccc3)/Sc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M04 compound treatment 0.367 0.017 1.0 0.365 0.015 1.0 -1.0 -1.0 1684440 ChemDiv1_002380 COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M05 compound treatment 0.367 0.017 1.0 0.381 0.031 1.0 -1.0 -1.0 1924417 ChemDiv1_002381 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)c(cc1OC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M06 compound treatment 0.348 -0.002 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1499025 ChemDiv1_002382 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4ccc(OC)cc4)n3c2=O)C(=O)OCC)C)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M07 compound treatment 0.367 0.017 1.0 0.361 0.011 1.0 -1.0 -1.0 1971463 ChemDiv1_002383 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)c(cc1OC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M08 compound treatment 0.412 0.062 1.0 0.394 0.044 1.0 -1.0 -1.0 1559469 ChemDiv1_002384 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC(=O)C)c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M09 compound treatment 0.449 0.099 1.0 0.441 0.091 1.0 -1.0 -1.0 1927596 ChemDiv1_002385 CC1=NN(C(=O)C1/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M10 compound treatment 0.346 -0.004 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1779955 ChemDiv1_002386 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(=O)C)c(=O)n2C1c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M11 compound treatment 0.365 0.015 1.0 0.39 0.04 1.0 -1.0 -1.0 1971464 ChemDiv1_002387 Cc1cc(C)cc(/N=C\2/NC(=O)/C(=C/c3cccc(c3)[N+](=O)[O-])/S2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M12 compound treatment 0.347 -0.003 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1148031 ChemDiv1_002388 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4cccs4)n3c2=O)C(=O)OC)C)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M13 compound treatment 0.415 0.065 1.0 0.421 0.071 1.0 -1.0 -1.0 1971465 ChemDiv1_002389 CC(=O)Oc1ccc(cc1)n2c(C)cc(/C=C/3\C(=O)NC(=O)N(C3=O)c4ccccc4)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M14 compound treatment 0.381 0.031 1.0 0.378 0.028 1.0 -1.0 -1.0 1943702 ChemDiv1_002390 COc1cccc(c1)N2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M15 compound treatment 0.372 0.022 1.0 0.363 0.013 1.0 -1.0 -1.0 1971466 ChemDiv1_002391 [O-][N+](=O)c1ccc(cc1)n2c(cc(C=c3sc4nc5ccccc5n4c3=O)c2c6ccccc6)c7ccccc7 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M16 compound treatment 0.37 0.02 1.0 0.35 0.0 -1.0 -1.0 -1.0 1250356 ChemDiv1_002392 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4cc(Cl)c(O)c(OC)c4)C(=O)CC(C)(C)C3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M17 compound treatment 0.401 0.051 1.0 0.393 0.043 1.0 -1.0 -1.0 1971467 ChemDiv1_002393 [O-][N+](=O)c1ccc(cc1)C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M18 compound treatment 0.394 0.044 1.0 0.374 0.024 1.0 -1.0 -1.0 1971468 ChemDiv1_002394 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OCCOC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M19 compound treatment 0.351 0.001 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971469 ChemDiv1_002395 COc1cc(cc2C3C=CCC3C(Nc12)c4cccc(Cl)c4Cl)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M20 compound treatment 0.379 0.029 1.0 0.365 0.015 1.0 -1.0 -1.0 1348379 ChemDiv1_002396 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M21 compound treatment 0.348 -0.002 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1251838 ChemDiv1_002397 COc1cccc2C3C=CCC3C(Nc12)c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M22 compound treatment 0.359 0.009 1.0 0.36 0.01 1.0 -1.0 -1.0 1435924 ChemDiv1_002398 CCC(C)OC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)C)cc3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 M24 positive control 0.087 -0.263 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N01 compound treatment 0.387 0.037 1.0 0.395 0.045 1.0 -1.0 -1.0 1971470 ChemDiv1_002399 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCCSCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N02 compound treatment 0.342 -0.008 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971471 ChemDiv1_002400 CCOC(=O)CC(=O)CSc1nc(cc(c1C#N)c2ccc(OC)cc2)c3cccs3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N03 compound treatment 0.392 0.042 1.0 0.388 0.038 1.0 -1.0 -1.0 1782455 ChemDiv1_002401 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4cc5OCOc5cc4[N+](=O)[O-])C(=O)CCC3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N04 compound treatment 0.347 -0.003 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1493891 ChemDiv1_002402 COC(=O)C1=C(C)OC(=C(C#N)C21C(=O)Nc3ccccc32)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N05 compound treatment 0.357 0.007 1.0 0.359 0.009 1.0 -1.0 -1.0 1971472 ChemDiv1_002403 COc1cc(cc(OC)c1OC)C(=O)N2N=C(CC2c3ccccc3[N+](=O)[O-])c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N06 compound treatment 0.363 0.013 1.0 0.354 0.004 1.0 -1.0 -1.0 1233298 ChemDiv1_002404 CCOC(=O)C1=C(N)OC(=C(C(=O)OCC=C)C21C(=O)Nc3ccccc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N07 compound treatment 0.351 0.001 1.0 0.328 -0.022 -1.0 -1.0 -1.0 1134157 ChemDiv1_002405 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C#N)C3c4ccc(Br)cc4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N08 compound treatment 0.354 0.004 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971473 ChemDiv1_002406 COCCOC(=O)C1=C(N)OC(=C(C(=O)OC(C)C)C21C(=O)Nc3ccccc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N09 compound treatment 0.363 0.013 1.0 0.357 0.007 1.0 -1.0 -1.0 1971474 ChemDiv1_002407 CCC(=O)N1N=C(CC1c2cccc(OC)c2OC)c3ccc(cc3)C4=NN(C(C4)c5cccc(OC)c5OC)C(=O)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N10 compound treatment 0.36 0.01 1.0 0.351 0.001 1.0 -1.0 -1.0 1722287 ChemDiv1_002408 CC1=C(C(=O)OCc2ccccc2)C3(C(=O)Nc4ccccc43)C(=C(N)O1)C(=O)OCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N11 compound treatment 0.349 -0.001 -1.0 0.363 0.013 1.0 -1.0 -1.0 1429576 ChemDiv1_002409 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N12 compound treatment 0.369 0.019 1.0 0.36 0.01 1.0 -1.0 -1.0 1971475 ChemDiv1_002410 COCCOC(=O)C1=C(N)OC(=C(C(=O)C)C21C(=O)Nc3ccc(Br)cc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N13 compound treatment 0.356 0.006 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971476 ChemDiv1_002411 FC(F)(F)c1cccc(Nc2nnc(s2)c3cc4cc(Br)ccc4oc3=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N14 compound treatment 0.364 0.014 1.0 0.352 0.002 1.0 -1.0 -1.0 1211595 ChemDiv1_002412 COC(=O)C1=C(N)OC2=C(C(=O)CCC2)C31C(=O)Nc4ccc(Br)cc43 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N15 compound treatment 0.36 0.01 1.0 0.35 0.0 -1.0 -1.0 -1.0 1547701 ChemDiv1_002413 CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N16 compound treatment 0.38 0.03 1.0 0.366 0.016 1.0 -1.0 -1.0 1609836 ChemDiv1_002414 CC(C)OC(=O)C1=C(N)OC(=C(C(=O)OCC=C)C21C(=O)Nc3ccccc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N17 compound treatment 0.368 0.018 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971477 ChemDiv1_002415 COc1ccc(cc1Cn2nc(C)c([N+](=O)[O-])c2C)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N18 compound treatment 0.339 -0.011 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971478 ChemDiv1_002416 COc1ccc(cc1Cl)N2C(SCC2=O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N19 compound treatment 0.35 0.0 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1592337 ChemDiv1_002417 CC(NC(=O)CSc1nc(C)cc(C)c1C#N)C2(CC3CC4CC(C3)C2)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N20 compound treatment 0.371 0.021 1.0 0.362 0.012 1.0 -1.0 -1.0 1782553 ChemDiv1_002418 COc1cccc2C3C=CCC3C(Nc12)c4ccccc4[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N21 compound treatment 0.363 0.013 1.0 0.355 0.005 1.0 -1.0 -1.0 1662542 ChemDiv1_002419 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(OCc4ccccc4)cc3)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N22 compound treatment 0.395 0.045 1.0 0.389 0.039 1.0 -1.0 -1.0 1288313 ChemDiv1_002420 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(OC(=O)C)c(OC)c4)C(=O)OCc5ccccc5)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 N24 positive control 0.087 -0.263 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O01 compound treatment 0.363 0.013 1.0 0.382 0.032 1.0 -1.0 -1.0 1939341 ChemDiv1_002421 COc1cc(C=c2sc3nc4c(C)cc(C)cc4n3c2=O)cc(Br)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O02 compound treatment 0.348 -0.002 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1176507 ChemDiv1_002422 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O03 compound treatment 0.358 0.008 1.0 0.358 0.008 1.0 -1.0 -1.0 1301724 ChemDiv1_002423 Cc1ccc2c(nc3sc(=Cc4cc5OCOc5cc4Br)c(=O)n32)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O04 compound treatment 0.351 0.001 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1557411 ChemDiv1_002424 COC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(=O)C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O05 compound treatment 0.554 0.204 1.0 0.496 0.146 1.0 -1.0 -1.0 1932996 ChemDiv1_002425 Clc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O06 compound treatment 0.392 0.042 1.0 0.397 0.047 1.0 -1.0 -1.0 1621344 ChemDiv1_002426 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(=O)C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O07 compound treatment 0.451 0.101 1.0 0.466 0.116 1.0 -1.0 -1.0 1971479 ChemDiv1_002427 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc([N+](=O)[O-])c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O08 compound treatment 0.37 0.02 1.0 0.361 0.011 1.0 -1.0 -1.0 1528977 ChemDiv1_002428 COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O09 compound treatment 0.439 0.089 1.0 0.429 0.079 1.0 -1.0 -1.0 1971480 ChemDiv1_002429 COc1cccc(/C=C\2/S/C(=N\c3cc(C)cc(C)c3)/NC2=O)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O10 compound treatment 0.352 0.002 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1780902 ChemDiv1_002430 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O11 compound treatment 0.463 0.113 1.0 0.432 0.082 1.0 -1.0 -1.0 1971481 ChemDiv1_002431 COc1cc(/C=C/2\S\C(=N/c3cc(C)cc(C)c3)\NC2=O)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O12 compound treatment 0.347 -0.003 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1495402 ChemDiv1_002432 CCCN1C(=O)C(=c2sc3=NC(=C(C(c4ccc(OC(=O)C)cc4)n3c2=O)C(=O)OCC)C)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O13 compound treatment 0.499 0.149 1.0 0.479 0.129 1.0 -1.0 -1.0 1971482 ChemDiv1_002433 Cc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3)c(C)n1c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O14 compound treatment 0.42 0.07 1.0 0.417 0.067 1.0 -1.0 -1.0 1971483 ChemDiv1_002434 Cc1ccccc1N2C(=O)S/C(=C/3\C(=O)Nc4ccc(Br)cc34)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O15 compound treatment 0.351 0.001 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1588225 ChemDiv1_002435 OC(=O)c1cccc(c1)n2c(=O)c3ccc4c(=O)n(c5cccc(c5)C(=O)O)c(=O)c6ccc(c2=O)c3c46 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O16 compound treatment 0.397 0.047 1.0 0.39 0.04 1.0 -1.0 -1.0 1971484 ChemDiv1_002436 COCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)ccc3OC)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O17 compound treatment 0.397 0.047 1.0 0.392 0.042 1.0 -1.0 -1.0 1549610 ChemDiv1_002437 Brc1ccc(cc1)C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O18 compound treatment 0.377 0.027 1.0 0.367 0.017 1.0 -1.0 -1.0 1243768 ChemDiv1_002438 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4cc(Br)c(O)c(OC)c4)C(=O)CCC3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O19 compound treatment 0.374 0.024 1.0 0.359 0.009 1.0 -1.0 -1.0 1942147 ChemDiv1_002439 COc1cc(cc2C3C=CCC3C(Nc12)c4ccc(Br)cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O20 compound treatment 0.406 0.056 1.0 0.394 0.044 1.0 -1.0 -1.0 1971485 ChemDiv1_002440 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCCOC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O21 compound treatment 0.356 0.006 1.0 0.355 0.005 1.0 -1.0 -1.0 1971486 ChemDiv1_002441 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4cccc(Cl)c4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O22 compound treatment 0.424 0.074 1.0 0.418 0.068 1.0 -1.0 -1.0 1971487 ChemDiv1_002442 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc4OCOc4c3)C(=O)CC(C2)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 O24 positive control 0.09 -0.26 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P01 compound treatment 0.395 0.045 1.0 0.383 0.033 1.0 -1.0 -1.0 1514017 ChemDiv1_002443 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4ccc(OCCO)c(OC)c4)C(=O)CC(C)(C)C3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P02 compound treatment 0.35 0.0 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971488 ChemDiv1_002444 Cc1cc(C)n(n1)C(=O)CSc2nc(cc(c2C#N)C(F)(F)F)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P03 compound treatment 0.362 0.012 1.0 0.361 0.011 1.0 -1.0 -1.0 1971489 ChemDiv1_002445 COC(=O)c1ccc(cc1)N2C(SCC2=O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P04 compound treatment 0.394 0.044 1.0 0.382 0.032 1.0 -1.0 -1.0 1971490 ChemDiv1_002446 Cc1n[nH]c2OC(=C(C#N)C3(C(=O)Nc4ccccc43)c12)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P05 compound treatment 0.401 0.051 1.0 0.411 0.061 1.0 -1.0 -1.0 1971491 ChemDiv1_002447 [O-][N+](=O)c1ccccc1C2CC(=NN2C(=O)c3cccs3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P06 compound treatment 0.391 0.041 1.0 0.392 0.042 1.0 -1.0 -1.0 1971492 ChemDiv1_002448 COCCOC(=O)C1=C(N)OC(=C(C(=O)OCC=C)C21C(=O)Nc3ccccc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P07 compound treatment 0.42 0.07 1.0 0.419 0.069 1.0 -1.0 -1.0 1782456 ChemDiv1_002449 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4cc5OCOc5cc4[N+](=O)[O-])C(=O)OC6CCCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P08 compound treatment 0.382 0.032 1.0 0.376 0.026 1.0 -1.0 -1.0 1218672 ChemDiv1_002450 COC(=O)C1=C(N)OC(=C(C(=O)OC(C)C)C21C(=O)Nc3ccccc32)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P09 compound treatment 0.461 0.111 1.0 0.509 0.159 1.0 -1.0 -1.0 1971493 ChemDiv1_002451 O=C1CC(=NN1c2ccccc2)c3ccc(cc3)C4=NN(C(=O)C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P10 compound treatment 0.425 0.075 1.0 0.388 0.038 1.0 -1.0 -1.0 1782695 ChemDiv1_002452 CCOC(=O)C1=C(C)OC(=C(C(=O)OCc2ccccc2)C31C(=O)Nc4ccccc43)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P11 compound treatment 0.388 0.038 1.0 0.387 0.037 1.0 -1.0 -1.0 1537396 ChemDiv1_002453 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P12 compound treatment 0.427 0.077 1.0 0.416 0.066 1.0 -1.0 -1.0 1608280 ChemDiv1_002454 CC1=C(C(=O)OC(C)(C)C)C2(C(=O)Nc3ccc(Br)cc32)C(=C(N)O1)C(=O)OC(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P13 compound treatment 0.43 0.08 1.0 0.395 0.045 1.0 -1.0 -1.0 1601015 ChemDiv1_002455 O=c1oc2c3CCCN4CCCc(cc2cc1c5nnc(Nc6ccccc6)s5)c43 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P14 compound treatment 0.401 0.051 1.0 0.382 0.032 1.0 -1.0 -1.0 1971494 ChemDiv1_002456 NC1=C(C#N)C2(C(=O)Nc3ccccc32)c4ccc(N)cc4O1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P15 compound treatment 0.392 0.042 1.0 0.372 0.022 1.0 -1.0 -1.0 1971495 ChemDiv1_002457 CC(=O)NC(=O)c1cc2cc(Cl)ccc2oc1=Nc3cccc(c3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P16 compound treatment 0.386 0.036 1.0 0.391 0.041 1.0 -1.0 -1.0 1717456 ChemDiv1_002458 CCCC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P17 compound treatment 0.373 0.023 1.0 0.378 0.028 1.0 -1.0 -1.0 1159202 ChemDiv1_002459 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2cccc(Cl)c2Cl)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P18 compound treatment 0.365 0.015 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971496 ChemDiv1_002460 FC(F)(F)c1cccc(c1)N2C(SCC2=O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P19 compound treatment 0.364 0.014 1.0 0.35 0.0 -1.0 -1.0 -1.0 1150627 ChemDiv1_002461 CCOC(=O)CC1=C(C(C(=C(N)O1)C#N)c2c(Cl)cccc2Cl)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P20 compound treatment 0.376 0.026 1.0 0.363 0.013 1.0 -1.0 -1.0 1971497 ChemDiv1_002462 COc1ccccc1C(=O)OCCCN(C2=NS(=O)(=O)c3ccccc23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P21 compound treatment 0.373 0.023 1.0 0.363 0.013 1.0 -1.0 -1.0 1971498 ChemDiv1_002463 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P22 compound treatment 0.36 0.01 1.0 0.35 0.0 -1.0 -1.0 -1.0 1951327 ChemDiv1_002464 Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.593 P24 positive control 0.092 -0.258 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A01 compound treatment 0.372 0.022 1.0 0.375 0.025 1.0 -1.0 -1.0 1971499 ChemDiv1_002465 Nc1nc(NCc2ccccc2)nc(NCc3ccccc3)c1[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A02 compound treatment 0.363 0.013 1.0 0.361 0.011 1.0 -1.0 -1.0 1971500 ChemDiv1_002466 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A03 compound treatment 0.346 -0.004 -1.0 0.355 0.005 1.0 -1.0 -1.0 1157023 ChemDiv1_002467 Cc1ccc2nc(nc(c3ccccc3)c2c1)N4CC(=O)Nc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A04 compound treatment 0.408 0.058 1.0 0.409 0.059 1.0 -1.0 -1.0 1971501 ChemDiv1_002468 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3OC)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A05 compound treatment 0.352 0.002 1.0 0.357 0.007 1.0 -1.0 -1.0 1676856 ChemDiv1_002469 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)C3(CC4CC5CC(C4)C3)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A06 compound treatment 0.352 0.002 1.0 0.356 0.006 1.0 -1.0 -1.0 1971502 ChemDiv1_002470 Cc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3sc4CCCCc4c3C(=O)N)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A07 compound treatment 0.34 -0.01 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971503 ChemDiv1_002471 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccccc4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A08 compound treatment 0.402 0.052 1.0 0.406 0.056 1.0 -1.0 -1.0 1971504 ChemDiv1_002472 COCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A09 compound treatment 0.345 -0.005 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971505 ChemDiv1_002473 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cc(C)cc(C)c4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A10 compound treatment 0.346 -0.004 -1.0 0.36 0.01 1.0 -1.0 -1.0 1971506 ChemDiv1_002474 COc1cc(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(ccc4oc3=O)[N+](=O)[O-])c(OC)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A11 compound treatment 0.347 -0.003 -1.0 0.354 0.004 1.0 -1.0 -1.0 1971507 ChemDiv1_002475 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(F)cc4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A12 compound treatment 0.36 0.01 1.0 0.37 0.02 1.0 -1.0 -1.0 1971508 ChemDiv1_002476 COc1ccc(cc1OC)C2=NN3C(C2)c4cc(Cl)ccc4OC3c5ccc(cc5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A13 compound treatment 0.34 -0.01 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971509 ChemDiv1_002477 CSc1nc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A14 compound treatment 0.385 0.035 1.0 0.378 0.028 1.0 -1.0 -1.0 1373124 ChemDiv1_002478 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C(=O)C)c4ccccc34)c(=O)n2C1c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A15 compound treatment 0.351 0.001 1.0 0.359 0.009 1.0 -1.0 -1.0 1971510 ChemDiv1_002479 Clc1c(sc2ccccc12)C(=O)Nc3ccc(Br)cc3C(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A16 compound treatment 0.355 0.005 1.0 0.372 0.022 1.0 -1.0 -1.0 1131393 ChemDiv1_002480 COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)c(OC)c3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A17 compound treatment 0.345 -0.005 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971511 ChemDiv1_002481 Cc1ccc(/N=C\2/NC(=O)C(Cc3cccc(Cl)c3)S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A18 compound treatment 0.345 -0.005 -1.0 0.355 0.005 1.0 -1.0 -1.0 1944535 ChemDiv1_002482 Cc1cccn2c(=O)c(/C=C/3\SC(=S)N(Cc4ccccc4)C3=O)c(nc12)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A19 compound treatment 0.337 -0.013 -1.0 0.351 0.001 1.0 -1.0 -1.0 1720424 ChemDiv1_002483 COc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)S(=O)(=O)c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A20 compound treatment 0.392 0.042 1.0 0.409 0.059 1.0 -1.0 -1.0 1971512 ChemDiv1_002484 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3OC)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A21 compound treatment 0.348 -0.002 -1.0 0.357 0.007 1.0 -1.0 -1.0 1378260 ChemDiv1_002485 CCOc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCC4CCCO4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A22 compound treatment 0.389 0.039 1.0 0.401 0.051 1.0 -1.0 -1.0 1127140 ChemDiv1_002486 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc5OCOc5cc4Cl)C(=O)OC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 A24 positive control 0.084 -0.266 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B01 compound treatment 0.368 0.018 1.0 0.381 0.031 1.0 -1.0 -1.0 1971513 ChemDiv1_002487 CC(=O)N1N=C(CC1c2ccccc2Cl)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B02 compound treatment 0.349 -0.001 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1148037 ChemDiv1_002488 CCOC(=O)c1c(CN2CCCC2)n(C3CCCCC3)c4cc(Br)c(O)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B03 compound treatment 0.32 -0.03 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1864208 ChemDiv1_002489 [O-][N+](=O)c1cccc2C(=O)N(CCC(=O)Nc3ccc(Cl)cc3C(=O)c4ccccc4)C(=O)c21 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B04 compound treatment 0.356 0.006 1.0 0.361 0.011 1.0 -1.0 -1.0 1204389 ChemDiv1_002490 CCOC(=O)c1c(CN2CCOCC2)n(Cc3ccccc3)c4cc(Br)c(O)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B05 compound treatment 0.337 -0.013 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1326542 ChemDiv1_002491 Oc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1c4nc5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B06 compound treatment 0.341 -0.009 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971514 ChemDiv1_002492 O=C(CSc1nc2ccccc2o1)Nc3sc4CCCCc4c3C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B07 compound treatment 0.334 -0.016 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1693801 ChemDiv1_002493 CC(Sc1nc2ccccc2[nH]1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B08 compound treatment 0.333 -0.017 -1.0 0.355 0.005 1.0 -1.0 -1.0 1708083 ChemDiv1_002494 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OCCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B09 compound treatment 0.333 -0.017 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1399757 ChemDiv1_002495 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C#N)C3c4cc5OCOc5cc4Cl)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B10 compound treatment 0.343 -0.007 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1052712 ChemDiv1_002496 CN(C)c1nc2c(N)ncnc2n1C3OC(CO)C(O)C3O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B11 compound treatment 0.337 -0.013 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971515 ChemDiv1_002497 Fc1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B12 compound treatment 0.35 0.0 -1.0 0.358 0.008 1.0 -1.0 -1.0 1971516 ChemDiv1_002498 Cc1ccc(cc1)C2C(=C(Oc3ccccc23)c4ccccc4)C=c5sc6nc7ccccc7n6c5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B13 compound treatment 0.342 -0.008 -1.0 0.352 0.002 1.0 -1.0 -1.0 1309748 ChemDiv1_002499 Clc1ccccc1C(=O)Nc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B14 compound treatment 0.371 0.021 1.0 0.38 0.03 1.0 -1.0 -1.0 1971517 ChemDiv1_002500 Oc1ccc(cc1N/C=C\2/Sc3ccccc3C2=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B15 compound treatment 0.345 -0.005 -1.0 0.358 0.008 1.0 -1.0 -1.0 1682130 ChemDiv1_002501 Cc1nc2cc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)ccc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B16 compound treatment 0.349 -0.001 -1.0 0.364 0.014 1.0 -1.0 -1.0 1971518 ChemDiv1_002502 Brc1ccc(cc1)c2nc3scc(c4cccs4)c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B17 compound treatment 0.354 0.004 1.0 0.365 0.015 1.0 -1.0 -1.0 1530496 ChemDiv1_002503 CCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B18 compound treatment 0.339 -0.011 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971519 ChemDiv1_002504 Fc1ccc(cc1)c2nc3scc(c4ccc(Br)cc4)c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B19 compound treatment 0.34 -0.01 -1.0 0.353 0.003 1.0 -1.0 -1.0 1315811 ChemDiv1_002505 CCOC(=O)c1c(CSc2ccccc2)n(C)c3cc(Br)c(OC(=O)C)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B20 compound treatment 0.34 -0.01 -1.0 0.355 0.005 1.0 -1.0 -1.0 1971520 ChemDiv1_002506 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3ccc(F)cc3)c4ccccc4c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B21 compound treatment 0.314 -0.036 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1572976 ChemDiv1_002507 CCOC(=O)c1c(CSc2ccccc2)n(C)c3ccc(O)c(CN4CCN(C)CC4)c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B22 compound treatment 0.327 -0.023 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1122460 ChemDiv1_002508 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)Cc3ccccc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 B24 positive control 0.077 -0.273 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C01 compound treatment 0.371 0.021 1.0 0.375 0.025 1.0 -1.0 -1.0 1971521 ChemDiv1_002509 Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C02 compound treatment 0.361 0.011 1.0 0.365 0.015 1.0 -1.0 -1.0 1971522 ChemDiv1_002510 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4cccc(O)c4)C(=O)OCCOc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C03 compound treatment 0.365 0.015 1.0 0.373 0.023 1.0 -1.0 -1.0 1265470 ChemDiv1_002511 O=C1CN(c2nc(c3ccccc3)c4ccccc4n2)c5ccccc5N1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C04 compound treatment 0.389 0.039 1.0 0.391 0.041 1.0 -1.0 -1.0 1971523 ChemDiv1_002512 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)C)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C05 compound treatment 0.339 -0.011 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1640475 ChemDiv1_002513 Clc1ccccc1c2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C06 compound treatment 0.354 0.004 1.0 0.36 0.01 1.0 -1.0 -1.0 1943670 ChemDiv1_002514 CC/N=C/1\SC(CC(=O)Nc2ccc(cc2)N3CCOCC3)C(=O)N1CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C07 compound treatment 0.358 0.008 1.0 0.37 0.02 1.0 -1.0 -1.0 1971524 ChemDiv1_002515 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)Cc4ccccc4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C08 compound treatment 0.368 0.018 1.0 0.376 0.026 1.0 -1.0 -1.0 1166536 ChemDiv1_002516 COc1cc(cc(Br)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCC4CCCO4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C09 compound treatment 0.336 -0.014 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971525 ChemDiv1_002517 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccccc4Cl)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C10 compound treatment 0.339 -0.011 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971526 ChemDiv1_002518 COc1ccc(Cl)cc1N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C11 compound treatment 0.343 -0.007 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971527 ChemDiv1_002519 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(C)c(C)c4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C12 compound treatment 0.349 -0.001 -1.0 0.371 0.021 1.0 -1.0 -1.0 1600395 ChemDiv1_002520 COc1ccc(cc1OC)C2=NN3C(C2)c4cc(Cl)ccc4OC3c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C13 compound treatment 0.333 -0.017 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1652527 ChemDiv1_002521 CSc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C14 compound treatment 0.344 -0.006 -1.0 0.352 0.002 1.0 -1.0 -1.0 1313173 ChemDiv1_002522 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc34)c(=O)n2C1c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C15 compound treatment 0.341 -0.009 -1.0 0.354 0.004 1.0 -1.0 -1.0 1170535 ChemDiv1_002523 Cc1ccc(NC(=O)c2ccccc2NC(=O)c3sc4ccccc4c3Cl)c(c1)C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C16 compound treatment 0.346 -0.004 -1.0 0.39 0.04 1.0 -1.0 -1.0 1389726 ChemDiv1_002524 CCOc1cc(C=c2sc3=NC(=C(C(c4ccc(OC(=O)C)cc4)n3c2=O)C(=O)OC)C)ccc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C17 compound treatment 0.353 0.003 1.0 0.378 0.028 1.0 -1.0 -1.0 1971528 ChemDiv1_002525 Clc1ccc(CC2S/C(=N\c3ccccc3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C18 compound treatment 0.341 -0.009 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971529 ChemDiv1_002526 Cc1cccn2c(=O)c(/C=C/3\SC(=S)N(CCc4ccccc4)C3=O)c(nc12)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C19 compound treatment 0.348 -0.002 -1.0 0.36 0.01 1.0 -1.0 -1.0 1439783 ChemDiv1_002527 CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Br)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C20 compound treatment 0.358 0.008 1.0 0.366 0.016 1.0 -1.0 -1.0 1371322 ChemDiv1_002528 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc(Br)c(O)c(OC)c4)C(=O)OC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C21 compound treatment 0.37 0.02 1.0 0.374 0.024 1.0 -1.0 -1.0 1725443 ChemDiv1_002529 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)NC4=C3C(=O)CCC4)C(=O)OCC5CCCO5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C22 compound treatment 0.351 0.001 1.0 0.365 0.015 1.0 -1.0 -1.0 1971530 ChemDiv1_002530 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 C24 positive control 0.079 -0.271 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D01 compound treatment 0.402 0.052 1.0 0.41 0.06 1.0 -1.0 -1.0 1971531 ChemDiv1_002531 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2Cl)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D02 compound treatment 0.327 -0.023 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1148514 ChemDiv1_002532 CCOC(=O)c1c(CN2CCCC2)n(c3ccccc3)c4cc(Br)c(O)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D03 compound treatment 0.335 -0.015 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1782780 ChemDiv1_002533 [O-][N+](=O)c1cccc2C(=O)N(CCC(=O)NCc3ccco3)C(=O)c21 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D04 compound treatment 0.342 -0.008 -1.0 0.358 0.008 1.0 -1.0 -1.0 1711510 ChemDiv1_002534 CCOC(=O)c1c(CN2CCCC2)n(Cc3ccccc3)c4cc(Br)c(O)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D05 compound treatment 0.333 -0.017 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1204685 ChemDiv1_002535 COc1ccc(Br)cc1C(=O)Nc2ccc(c3nc4ccccc4o3)c(O)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D06 compound treatment 0.371 0.021 1.0 0.382 0.032 1.0 -1.0 -1.0 1971532 ChemDiv1_002536 COCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3[N+](=O)[O-])C(=O)CC(C2)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D07 compound treatment 0.337 -0.013 -1.0 0.351 0.001 1.0 -1.0 -1.0 1342557 ChemDiv1_002537 NC(=O)Cn1c(CSc2nc3ccccc3n2CC(=O)N)nc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D08 compound treatment 0.317 -0.033 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1582220 ChemDiv1_002538 O=c1[nH]c(=S)[nH]c2sc3CCCc3c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D09 compound treatment 0.382 0.032 1.0 0.383 0.033 1.0 -1.0 -1.0 1971533 ChemDiv1_002539 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OCCOC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D10 compound treatment 0.34 -0.01 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1652999 ChemDiv1_002540 COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)c4ccco4)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D11 compound treatment 0.337 -0.013 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1156017 ChemDiv1_002541 Cc1cc(=O)oc2cc(Oc3nnc(c4ccccc4)c5ccccc35)ccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D12 compound treatment 0.343 -0.007 -1.0 0.359 0.009 1.0 -1.0 -1.0 1971534 ChemDiv1_002542 Cc1ccccc1C2C(=C(Oc3ccccc23)c4cccs4)C=c5sc6nc7ccccc7n6c5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D13 compound treatment 0.352 0.002 1.0 0.367 0.017 1.0 -1.0 -1.0 1323028 ChemDiv1_002543 Brc1ccc(cc1)C(=O)Nc2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D14 compound treatment 0.336 -0.014 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971535 ChemDiv1_002544 CCOc1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D15 compound treatment 0.328 -0.022 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1697517 ChemDiv1_002545 COc1ccc(cc1)C(=O)COC(=O)c2ccc(cc2)N3C(=O)C4CC=CC(C)C4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D16 compound treatment 0.335 -0.015 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971536 ChemDiv1_002546 Clc1cccc(c1)c2nc3scc(c4ccc(Br)cc4)c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D17 compound treatment 0.334 -0.016 -1.0 0.353 0.003 1.0 -1.0 -1.0 1140184 ChemDiv1_002547 CCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C2)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D18 compound treatment 0.333 -0.017 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971537 ChemDiv1_002548 Fc1ccccc1c2nc3scc(c4cccs4)c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D19 compound treatment 0.317 -0.033 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1423351 ChemDiv1_002549 CCOC(=O)c1c(CSc2ccccc2)n(c3ccccc3)c4cc(Br)c(O)c(CN(C)C)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D20 compound treatment 0.327 -0.023 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1158762 ChemDiv1_002550 CCOC(=O)c1c(C)n(c2cccc(Br)c2)c3c1cc(O)c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D21 compound treatment 0.34 -0.01 -1.0 0.357 0.007 1.0 -1.0 -1.0 1285692 ChemDiv1_002551 CCOC(=O)c1c(CSc2ccccc2)n(C3CCCCC3)c4cc(Br)c(O)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D22 compound treatment 0.333 -0.017 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1626003 ChemDiv1_002552 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)COc3ccccc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 D24 positive control 0.079 -0.271 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E01 compound treatment 0.345 -0.005 -1.0 0.375 0.025 1.0 -1.0 -1.0 1971538 ChemDiv1_002553 [O-][N+](=O)c1ccc(s1)C(=O)Nc2nc(cs2)c3cc(Cl)sc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E02 compound treatment 0.331 -0.019 -1.0 0.356 0.006 1.0 -1.0 -1.0 1713752 ChemDiv1_002554 CCCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E03 compound treatment 0.383 0.033 1.0 0.387 0.037 1.0 -1.0 -1.0 1971539 ChemDiv1_002555 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2Cl)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E04 compound treatment 0.329 -0.021 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1345475 ChemDiv1_002556 CCOc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E05 compound treatment 0.329 -0.021 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971540 ChemDiv1_002557 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccccc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E06 compound treatment 0.339 -0.011 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971541 ChemDiv1_002558 [O-][N+](=O)c1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E07 compound treatment 0.332 -0.018 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971542 ChemDiv1_002559 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccccc4C)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E08 compound treatment 0.344 -0.006 -1.0 0.354 0.004 1.0 -1.0 -1.0 1971543 ChemDiv1_002560 COc1ccc(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(ccc4oc3=O)[N+](=O)[O-])c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E09 compound treatment 0.339 -0.011 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971544 ChemDiv1_002561 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccccc4F)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E10 compound treatment 0.347 -0.003 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971545 ChemDiv1_002562 FC(F)(F)c1cccc(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E11 compound treatment 0.321 -0.029 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971546 ChemDiv1_002563 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(OCC)cc4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E12 compound treatment 0.335 -0.015 -1.0 0.304 -0.046 -1.0 -1.0 -1.0 1225931 ChemDiv1_002564 COc1ccc(cc1OC)C2=NN3C(C2)c4cc(Cl)ccc4OC3c5ccncc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E13 compound treatment 0.341 -0.009 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1514621 ChemDiv1_002565 Cc1nc2ccc(NC(=O)c3ccc(Cc4ccccc4)cc3)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E14 compound treatment 0.338 -0.012 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1562123 ChemDiv1_002566 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc34)c(=O)n2C1c5ccc(OC(=O)C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E15 compound treatment 0.337 -0.013 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971547 ChemDiv1_002567 Clc1c(sc2ccccc12)C(=O)Nc3sc4CCCCc4c3c5nc6ccccc6s5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E16 compound treatment 0.341 -0.009 -1.0 0.355 0.005 1.0 -1.0 -1.0 1943969 ChemDiv1_002568 COc1ccc(CCN2C(=O)/C(=C\3/C(=O)N(C)c4ccccc34)/SC2=S)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E17 compound treatment 0.347 -0.003 -1.0 0.365 0.015 1.0 -1.0 -1.0 1971548 ChemDiv1_002569 Cc1ccc(/N=C\2/NC(=O)C(Cc3ccc(Cl)cc3)S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E18 compound treatment 0.31 -0.04 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971549 ChemDiv1_002570 CCOC(=O)c1c(C)c(sc1NC(NC(=O)C(C)C)C(Cl)(Cl)Cl)C(=O)Nc2ccccc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E19 compound treatment 0.328 -0.022 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1597209 ChemDiv1_002571 CCOC(=O)c1c(oc2ccc(OC(=O)c3ccc(Cl)cc3)cc12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E20 compound treatment 0.332 -0.018 -1.0 0.38 0.03 1.0 -1.0 -1.0 1944644 ChemDiv1_002572 COc1cc(cc(OC)c1OC)c2nnc(SCc3c(F)cccc3Cl)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E21 compound treatment 0.349 -0.001 -1.0 0.36 0.01 1.0 -1.0 -1.0 1971550 ChemDiv1_002573 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cccc(OC)c3OC)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E22 compound treatment 0.359 0.009 1.0 0.382 0.032 1.0 -1.0 -1.0 1151430 ChemDiv1_002574 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc5OCOc5cc4Br)C(=O)OC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 E24 positive control 0.081 -0.269 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F01 compound treatment 0.408 0.058 1.0 0.422 0.072 1.0 -1.0 -1.0 1971551 ChemDiv1_002575 Cc1ccc2cc(C3=NN(C(C3)c4ccc(Br)cc4)C(=O)CCC(=O)O)c(Cl)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F02 compound treatment 0.338 -0.012 -1.0 0.354 0.004 1.0 -1.0 -1.0 1696090 ChemDiv1_002576 CCOC(=O)c1c(CN2CCN(C)CC2)n(c3ccccc3)c4cc(Br)c(O)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F03 compound treatment 0.34 -0.01 -1.0 0.354 0.004 1.0 -1.0 -1.0 1782781 ChemDiv1_002577 CN(Cc1ccccc1)C(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F04 compound treatment 0.342 -0.008 -1.0 0.354 0.004 1.0 -1.0 -1.0 1348231 ChemDiv1_002578 Nc1c(oc2ccc(Br)cc12)C(=O)C3CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F05 compound treatment 0.36 0.01 1.0 0.387 0.037 1.0 -1.0 -1.0 1337758 ChemDiv1_002579 Oc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1c4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F06 compound treatment 0.321 -0.029 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1692200 ChemDiv1_002580 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OC4CCCC4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F07 compound treatment 0.35 0.0 -1.0 0.372 0.022 1.0 -1.0 -1.0 1546625 ChemDiv1_002581 COc1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F08 compound treatment 0.389 0.039 1.0 0.404 0.054 1.0 -1.0 -1.0 1971552 ChemDiv1_002582 Cc1nnc(/N=C\2/S\C(=C\c3cccs3)\C(=O)N2CC=C)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F09 compound treatment 0.37 0.02 1.0 0.383 0.033 1.0 -1.0 -1.0 1971553 ChemDiv1_002583 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OCCOC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F10 compound treatment 0.363 0.013 1.0 0.352 0.002 1.0 -1.0 -1.0 1238392 ChemDiv1_002584 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F11 compound treatment 0.315 -0.035 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971554 ChemDiv1_002585 Cc1cc2nnc(SCC(=O)NC3(CC4CC5CC(C4)C3)C5)n2c6ccccc16 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F12 compound treatment 0.36 0.01 1.0 0.381 0.031 1.0 -1.0 -1.0 1971555 ChemDiv1_002586 COc1ccc(CCN(/C=C\2/Sc3ccccc3C2=O)C(=O)C)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F13 compound treatment 0.338 -0.012 -1.0 0.361 0.011 1.0 -1.0 -1.0 1677091 ChemDiv1_002587 Cc1ccccc1C(=O)Nc2nc3ccc(NC(=O)c4ccccc4C)cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F14 compound treatment 0.328 -0.022 -1.0 0.371 0.021 1.0 -1.0 -1.0 1490596 ChemDiv1_002588 CCOC(=O)c1c(C)n(c2ccc(OCC)cc2)c3ccc(OC(=O)COc4ccccc4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F15 compound treatment 0.326 -0.024 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1394767 ChemDiv1_002589 COc1ccc(cc1)C(=O)COC(=O)c2cccc(c2)N3C(=O)C4CC=CC(C)C4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F16 compound treatment 0.337 -0.013 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971556 ChemDiv1_002590 Brc1ccc(cc1)c2nc3scc(c4ccc(cc4)c5ccccc5)c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F17 compound treatment 0.342 -0.008 -1.0 0.369 0.019 1.0 -1.0 -1.0 1784039 ChemDiv1_002591 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(cc4)[N+](=O)[O-])C(=O)OC5CCCC5)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F18 compound treatment 0.346 -0.004 -1.0 0.362 0.012 1.0 -1.0 -1.0 1331744 ChemDiv1_002592 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OC(=O)c4ccccc4Cl)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F19 compound treatment 0.331 -0.019 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1142539 ChemDiv1_002593 CCOC(=O)c1c(CC(C#N)(c2ccccc2)c3ccccc3)n(C)c4cc(Br)c(OC)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F20 compound treatment 0.348 -0.002 -1.0 0.377 0.027 1.0 -1.0 -1.0 1346802 ChemDiv1_002594 CCOC(=O)c1c(C)n(c2ccccc2Br)c3c1cc(O)c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F21 compound treatment 0.343 -0.007 -1.0 0.353 0.003 1.0 -1.0 -1.0 1717651 ChemDiv1_002595 CCOC(=O)c1c(CN2CCOCC2)n(c3ccccc3)c4cc(Br)c(OC)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F22 compound treatment 0.351 0.001 1.0 0.35 0.0 -1.0 -1.0 -1.0 1480963 ChemDiv1_002596 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)COc3ccccc3C)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 F24 positive control 0.082 -0.268 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G01 compound treatment 0.424 0.074 1.0 0.436 0.086 1.0 -1.0 -1.0 1727937 ChemDiv1_002597 Cc1nc2cc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCC4)ccc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G02 compound treatment 0.398 0.048 1.0 0.404 0.054 1.0 -1.0 -1.0 1971557 ChemDiv1_002598 COCCOC(=O)C1=C(C)NC2=C(C1c3ccc(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G03 compound treatment 0.365 0.015 1.0 0.381 0.031 1.0 -1.0 -1.0 1971558 ChemDiv1_002599 [O-][N+](=O)c1cccc(/N=C\2/S\C(=C/c3ccccc3)\C(=O)N2CC=C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G04 compound treatment 0.386 0.036 1.0 0.376 0.026 1.0 -1.0 -1.0 1260418 ChemDiv1_002600 COc1ccc(OC)c(c1)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G05 compound treatment 0.332 -0.018 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971559 ChemDiv1_002601 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)C4CCCCC4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G06 compound treatment 0.37 0.02 1.0 0.373 0.023 1.0 -1.0 -1.0 1971560 ChemDiv1_002602 CC(=O)Oc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G07 compound treatment 0.35 0.0 -1.0 0.373 0.023 1.0 -1.0 -1.0 1971561 ChemDiv1_002603 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cccc(C)c4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G08 compound treatment 0.342 -0.008 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971562 ChemDiv1_002604 COc1ccc(OC)c(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G09 compound treatment 0.35 0.0 -1.0 0.361 0.011 1.0 -1.0 -1.0 1971563 ChemDiv1_002605 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cccc(Cl)c4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G10 compound treatment 0.344 -0.006 -1.0 0.357 0.007 1.0 -1.0 -1.0 1971564 ChemDiv1_002606 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)c3csc(n3)/C(=C/Nc4cccc(c4)C(F)(F)F)/C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G11 compound treatment 0.336 -0.014 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971565 ChemDiv1_002607 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccc(F)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G12 compound treatment 0.357 0.007 1.0 0.371 0.021 1.0 -1.0 -1.0 1971566 ChemDiv1_002608 COc1ccc(cc1OC)C2Oc3ccc(Br)cc3C4CC(=NN42)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G13 compound treatment 0.347 -0.003 -1.0 0.361 0.011 1.0 -1.0 -1.0 1971567 ChemDiv1_002609 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G14 compound treatment 0.337 -0.013 -1.0 0.357 0.007 1.0 -1.0 -1.0 1393899 ChemDiv1_002610 COC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc34)c(=O)n2C1c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G15 compound treatment 0.335 -0.015 -1.0 0.359 0.009 1.0 -1.0 -1.0 1971568 ChemDiv1_002611 Cc1ccc(/N=C/2\NC(=O)C(Cc3ccccc3)S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G16 compound treatment 0.415 0.065 1.0 0.442 0.092 1.0 -1.0 -1.0 1971569 ChemDiv1_002612 COCCN1C(=O)/C(=C\c2ccc(OC(=O)C3C(C=C(Cl)Cl)C3(C)C)cc2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G17 compound treatment 0.336 -0.014 -1.0 0.369 0.019 1.0 -1.0 -1.0 1971570 ChemDiv1_002613 Fc1ccc(CC2S/C(=N/c3ccccn3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G18 compound treatment 0.343 -0.007 -1.0 0.36 0.01 1.0 -1.0 -1.0 1623433 ChemDiv1_002614 COC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccccc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G19 compound treatment 0.336 -0.014 -1.0 0.353 0.003 1.0 -1.0 -1.0 1664683 ChemDiv1_002615 CCOC(=O)c1c(oc2ccc(OC(=O)c3ccc(Br)cc3)cc12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G20 compound treatment 0.317 -0.033 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1416754 ChemDiv1_002616 NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G21 compound treatment 0.331 -0.019 -1.0 0.351 0.001 1.0 -1.0 -1.0 1971571 ChemDiv1_002617 COc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCCOc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G22 compound treatment 0.353 0.003 1.0 0.382 0.032 1.0 -1.0 -1.0 1971572 ChemDiv1_002618 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc4OCOc4c3)C(=O)CC(C2)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 G24 positive control 0.083 -0.267 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H01 compound treatment 0.367 0.017 1.0 0.378 0.028 1.0 -1.0 -1.0 1971573 ChemDiv1_002619 COc1ccc(cc1)C2=NN(C(C2)c3ccc(Br)cc3)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H02 compound treatment 0.318 -0.032 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1545258 ChemDiv1_002620 CCOC(=O)c1c(CN2CCN(C)CC2)n(Cc3ccccc3)c4cc(Br)c(O)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H03 compound treatment 0.35 0.0 -1.0 0.358 0.008 1.0 -1.0 -1.0 1864223 ChemDiv1_002621 CCOC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc4CCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H04 compound treatment 0.36 0.01 1.0 0.378 0.028 1.0 -1.0 -1.0 1926612 ChemDiv1_002622 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H05 compound treatment 0.358 0.008 1.0 0.358 0.008 1.0 -1.0 -1.0 1673899 ChemDiv1_002623 Clc1ccc(cc1NC(=O)c2ccc3OCCOc3c2)c4nc5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H06 compound treatment 0.366 0.016 1.0 0.377 0.027 1.0 -1.0 -1.0 1693203 ChemDiv1_002624 Brc1cc2OCOc2cc1C3Nc4ccccc4NC5=C3C(=O)CC(C5)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H07 compound treatment 0.341 -0.009 -1.0 0.358 0.008 1.0 -1.0 -1.0 1169838 ChemDiv1_002625 O=c1[nH]nc(c2ncc[nH]2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H08 compound treatment 0.391 0.041 1.0 0.392 0.042 1.0 -1.0 -1.0 1971574 ChemDiv1_002626 CCc1nnc(/N=C\2/S\C(=C\c3cccs3)\C(=O)N2CC=C)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H09 compound treatment 0.363 0.013 1.0 0.368 0.018 1.0 -1.0 -1.0 1394655 ChemDiv1_002627 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C#N)C3c4ccc(OC(=O)C)c(OC)c4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H10 compound treatment 0.39 0.04 1.0 0.374 0.024 1.0 -1.0 -1.0 1492984 ChemDiv1_002628 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccccc3OCc4ccccc4)C(=O)OCC5CCCO5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H11 compound treatment 0.322 -0.028 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971575 ChemDiv1_002629 O=C1N(CCSc2ncnc3sc4CCCCc4c23)C(=O)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H12 compound treatment 0.341 -0.009 -1.0 0.364 0.014 1.0 -1.0 -1.0 1971576 ChemDiv1_002630 Cc1ccc(cc1)c2nc3scc(c4ccc(Br)cc4)c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H13 compound treatment 0.343 -0.007 -1.0 0.353 0.003 1.0 -1.0 -1.0 1515652 ChemDiv1_002631 Clc1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H14 compound treatment 0.343 -0.007 -1.0 0.366 0.016 1.0 -1.0 -1.0 1971577 ChemDiv1_002632 CCOC(=O)c1cc(CC)sc1N/C=C\2/C(=NN(C2=O)c3ccc(C)cc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H15 compound treatment 0.369 0.019 1.0 0.38 0.03 1.0 -1.0 -1.0 1971578 ChemDiv1_002633 COc1cc(cc(OC)c1OC)C(=O)Oc2ccc(cc2)N(C)C3=NS(=O)(=O)c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H16 compound treatment 0.339 -0.011 -1.0 0.354 0.004 1.0 -1.0 -1.0 1971579 ChemDiv1_002634 CC(C)(C)c1ccc(cc1)c2nc3sc4CCCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H17 compound treatment 0.313 -0.037 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1971580 ChemDiv1_002635 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cccc(O)c4)C(=O)OCCOc5ccccc5)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H18 compound treatment 0.352 0.002 1.0 0.371 0.021 1.0 -1.0 -1.0 1383441 ChemDiv1_002636 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OC(=O)c4cccc(Br)c4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H19 compound treatment 0.339 -0.011 -1.0 0.36 0.01 1.0 -1.0 -1.0 1568619 ChemDiv1_002637 CCOC(=O)c1c(CS(=O)(=O)c2ccccc2)n(C)c3cc(Br)c(O)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H20 compound treatment 0.338 -0.012 -1.0 0.353 0.003 1.0 -1.0 -1.0 1504243 ChemDiv1_002638 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccc(Br)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H21 compound treatment 0.333 -0.017 -1.0 0.36 0.01 1.0 -1.0 -1.0 1223068 ChemDiv1_002639 CCOC(=O)c1c(CNCc2ccccc2)n(c3ccccc3)c4cc(Br)c(OC)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H22 compound treatment 0.334 -0.016 -1.0 0.358 0.008 1.0 -1.0 -1.0 1477206 ChemDiv1_002640 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3cccc(Cl)c3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 H24 positive control 0.083 -0.267 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I01 compound treatment 0.432 0.082 1.0 0.455 0.105 1.0 -1.0 -1.0 1140356 ChemDiv1_002641 CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc4sc(C)nc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I02 compound treatment 0.378 0.028 1.0 0.382 0.032 1.0 -1.0 -1.0 1971581 ChemDiv1_002642 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)C)c(OC)c3)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I03 compound treatment 0.344 -0.006 -1.0 0.351 0.001 1.0 -1.0 -1.0 1179331 ChemDiv1_002643 CC1(C)CC(=O)c2sc(NC(=O)C3CC3)nc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I04 compound treatment 0.344 -0.006 -1.0 0.356 0.006 1.0 -1.0 -1.0 1204576 ChemDiv1_002644 CCOC(=O)c1ccc(cc1)c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I05 compound treatment 0.344 -0.006 -1.0 0.356 0.006 1.0 -1.0 -1.0 1495642 ChemDiv1_002645 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)CC)c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I06 compound treatment 0.335 -0.015 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971582 ChemDiv1_002646 Cc1ccc(N2C(SCC2=O)c3ccc(cc3)[N+](=O)[O-])c(Br)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I07 compound treatment 0.35 0.0 -1.0 0.358 0.008 1.0 -1.0 -1.0 1971583 ChemDiv1_002647 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(C)cc4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I08 compound treatment 0.339 -0.011 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971584 ChemDiv1_002648 COc1ccc(OC)c(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(ccc4oc3=O)[N+](=O)[O-])c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I09 compound treatment 0.345 -0.005 -1.0 0.354 0.004 1.0 -1.0 -1.0 1971585 ChemDiv1_002649 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(Cl)cc4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I10 compound treatment 0.345 -0.005 -1.0 0.361 0.011 1.0 -1.0 -1.0 1971586 ChemDiv1_002650 Fc1ccccc1N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I11 compound treatment 0.371 0.021 1.0 0.375 0.025 1.0 -1.0 -1.0 1971587 ChemDiv1_002651 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)c3cccc(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I12 compound treatment 0.374 0.024 1.0 0.383 0.033 1.0 -1.0 -1.0 1971588 ChemDiv1_002652 COc1ccc(cc1OC)C2Oc3ccc(Br)cc3C4CC(=NN42)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I13 compound treatment 0.366 0.016 1.0 0.385 0.035 1.0 -1.0 -1.0 1457375 ChemDiv1_002653 Clc1c(sc2ccccc12)C(=O)Nc3ncc(s3)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I14 compound treatment 0.346 -0.004 -1.0 0.364 0.014 1.0 -1.0 -1.0 1484447 ChemDiv1_002654 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I15 compound treatment 0.339 -0.011 -1.0 0.371 0.021 1.0 -1.0 -1.0 1971589 ChemDiv1_002655 Brc1ccc(/N=C/2\NC(=O)C(Cc3ccccc3)S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I16 compound treatment 0.341 -0.009 -1.0 0.359 0.009 1.0 -1.0 -1.0 1132448 ChemDiv1_002656 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccccc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I17 compound treatment 0.345 -0.005 -1.0 0.365 0.015 1.0 -1.0 -1.0 1971590 ChemDiv1_002657 FC(F)(F)c1cccc(CC2S/C(=N/c3ccccn3)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I18 compound treatment 0.346 -0.004 -1.0 0.361 0.011 1.0 -1.0 -1.0 1614584 ChemDiv1_002658 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC=C)c4ccccc34)c(=O)n2C1c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I19 compound treatment 0.346 -0.004 -1.0 0.367 0.017 1.0 -1.0 -1.0 1921128 ChemDiv1_002659 Cn1cnc([N+](=O)[O-])c1Sc2ncnc3nc[nH]c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I20 compound treatment 0.33 -0.02 -1.0 0.354 0.004 1.0 -1.0 -1.0 1166776 ChemDiv1_002660 Cc1cccc(Nc2nc3nonc3nc2Nc4cccc(C)c4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I21 compound treatment 0.346 -0.004 -1.0 0.359 0.009 1.0 -1.0 -1.0 1971591 ChemDiv1_002661 CC(=O)Oc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCCOc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I22 compound treatment 0.344 -0.006 -1.0 0.369 0.019 1.0 -1.0 -1.0 1728073 ChemDiv1_002662 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OCC4CCCO4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 I24 positive control 0.084 -0.266 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J01 compound treatment 0.376 0.026 1.0 0.38 0.03 1.0 -1.0 -1.0 1971592 ChemDiv1_002663 FC(F)Sc1ccc(cc1)C(=O)CSc2nnc(Cc3ccccc3)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J02 compound treatment 0.34 -0.01 -1.0 0.37 0.02 1.0 -1.0 -1.0 1277229 ChemDiv1_002664 CCOC(=O)c1c(CN2CCN(CC2)c3ccccc3C)n(C4CCCCC4)c5cc(Br)c(O)cc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J03 compound treatment 0.368 0.018 1.0 0.372 0.022 1.0 -1.0 -1.0 1971593 ChemDiv1_002665 CCOC(=O)c1c(C)c(sc1NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J04 compound treatment 0.338 -0.012 -1.0 0.357 0.007 1.0 -1.0 -1.0 1971594 ChemDiv1_002666 COc1ccccc1NC(=O)CCC(=O)N2N=C(CC2c3ccccc3)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J05 compound treatment 0.344 -0.006 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1931081 ChemDiv1_002667 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(cc5)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J06 compound treatment 0.347 -0.003 -1.0 0.357 0.007 1.0 -1.0 -1.0 1971595 ChemDiv1_002668 COc1nnc(OC)c2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J07 compound treatment 0.351 0.001 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971596 ChemDiv1_002669 CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(c2)N3C(=O)C4C5CC(C=C5)C4C3=O)c(c1)C(C)(C)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J08 compound treatment 0.337 -0.013 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971597 ChemDiv1_002670 CCCCOc1ncnc2ncn(CCCl)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J09 compound treatment 0.375 0.025 1.0 0.38 0.03 1.0 -1.0 -1.0 1213381 ChemDiv1_002671 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc5OCOc5cc4Cl)C(=O)OCC=C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J10 compound treatment 0.339 -0.011 -1.0 0.37 0.02 1.0 -1.0 -1.0 1214917 ChemDiv1_002672 CC1=C(C(NC(=O)N1)c2cccc(Oc3ccccc3)c2)C(=O)OCc4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J11 compound treatment 0.334 -0.016 -1.0 0.355 0.005 1.0 -1.0 -1.0 1711906 ChemDiv1_002673 Fc1ccc(cc1)c2csc3[nH]c(=S)n(c4ccccc4)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J12 compound treatment 0.355 0.005 1.0 0.369 0.019 1.0 -1.0 -1.0 1971598 ChemDiv1_002674 Cc1sc2nc(oc(=O)c2c1C)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J13 compound treatment 0.373 0.023 1.0 0.383 0.033 1.0 -1.0 -1.0 1577136 ChemDiv1_002675 Fc1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J14 compound treatment 0.683 0.333 1.0 0.691 0.341 1.0 -1.0 -1.0 1971599 ChemDiv1_002676 O=C1/C(=C/NC2CCCCCC2)/Sc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J15 compound treatment 0.349 -0.001 -1.0 0.372 0.022 1.0 -1.0 -1.0 1730382 ChemDiv1_002677 COc1ccc(C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(Cl)cc5)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J16 compound treatment 0.349 -0.001 -1.0 0.361 0.011 1.0 -1.0 -1.0 1944067 ChemDiv1_002678 Cc1sc2nc(oc(=O)c2c1C)c3ccc(cc3)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J17 compound treatment 0.344 -0.006 -1.0 0.365 0.015 1.0 -1.0 -1.0 1626938 ChemDiv1_002679 COc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J18 compound treatment 0.342 -0.008 -1.0 0.356 0.006 1.0 -1.0 -1.0 1971600 ChemDiv1_002680 CCc1cc2c(=O)oc(nc2s1)c3ccc(F)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J19 compound treatment 0.347 -0.003 -1.0 0.364 0.014 1.0 -1.0 -1.0 1450925 ChemDiv1_002681 Nc1c(oc2ccc(Cl)cc12)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J20 compound treatment 0.347 -0.003 -1.0 0.362 0.012 1.0 -1.0 -1.0 1971601 ChemDiv1_002682 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccc(cc3)C(C)(C)C)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J21 compound treatment 0.327 -0.023 -1.0 0.352 0.002 1.0 -1.0 -1.0 1971602 ChemDiv1_002683 CCOC(=O)c1c(CNCCN(CC)CC)n(C)c2cc(Br)c(OC)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J22 compound treatment 0.343 -0.007 -1.0 0.356 0.006 1.0 -1.0 -1.0 1347275 ChemDiv1_002684 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccccc3Cl)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 J24 positive control 0.084 -0.266 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K01 compound treatment 0.372 0.022 1.0 0.386 0.036 1.0 -1.0 -1.0 1971603 ChemDiv1_002685 CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(cc4s3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K02 compound treatment 0.381 0.031 1.0 0.393 0.043 1.0 -1.0 -1.0 1586376 ChemDiv1_002686 COc1cccc(C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OC(C)C)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K03 compound treatment 0.368 0.018 1.0 0.365 0.015 1.0 -1.0 -1.0 1177106 ChemDiv1_002687 COc1cccc2sc(NC(=O)c3ccccc3NS(=O)(=O)c4ccc(C)cc4)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K04 compound treatment 0.339 -0.011 -1.0 0.353 0.003 1.0 -1.0 -1.0 1721376 ChemDiv1_002688 CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K05 compound treatment 0.335 -0.015 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1421029 ChemDiv1_002689 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)C(C)C)c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K06 compound treatment 0.319 -0.031 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971604 ChemDiv1_002690 FC(F)Oc1ccc(cc1)C2SCC(=O)N2c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K07 compound treatment 0.352 0.002 1.0 0.375 0.025 1.0 -1.0 -1.0 1971605 ChemDiv1_002691 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccccc4OC)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K08 compound treatment 0.348 -0.002 -1.0 0.365 0.015 1.0 -1.0 -1.0 1971606 ChemDiv1_002692 Fc1ccc(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K09 compound treatment 0.337 -0.013 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971607 ChemDiv1_002693 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(cc4)[N+](=O)[O-])c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K10 compound treatment 0.359 0.009 1.0 0.373 0.023 1.0 -1.0 -1.0 1205640 ChemDiv1_002694 COc1ccc(cc1)C2=NN3C(C2)c4cc(Cl)ccc4OC53CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K11 compound treatment 0.361 0.011 1.0 0.413 0.063 1.0 -1.0 -1.0 1971608 ChemDiv1_002695 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2nnc(s2)c3cccc(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K12 compound treatment 0.391 0.041 1.0 0.396 0.046 1.0 -1.0 -1.0 1915253 ChemDiv1_002696 CCOC(=O)C1=C(C)C2C3C(C(=O)N(C3=O)c4ccccc4[N+](=O)[O-])C1(C)C5C2C(=O)N(C5=O)c6ccccc6[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K13 compound treatment 0.368 0.018 1.0 0.392 0.042 1.0 -1.0 -1.0 1971609 ChemDiv1_002697 Clc1c(sc2ccccc12)C(=O)Nc3nc(cs3)c4ccc(I)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K14 compound treatment 0.38 0.03 1.0 0.394 0.044 1.0 -1.0 -1.0 1606703 ChemDiv1_002698 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC(=O)C)c3)c(=O)n2C1c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K15 compound treatment 0.324 -0.026 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971610 ChemDiv1_002699 Cc1ccc(/N=C/2\NC(=O)C(Cc3ccccc3Cl)S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K16 compound treatment 0.364 0.014 1.0 0.402 0.052 1.0 -1.0 -1.0 1276795 ChemDiv1_002700 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC(=O)N)c4ccccc34)c(=O)n2C1c5ccccc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K17 compound treatment 0.345 -0.005 -1.0 0.357 0.007 1.0 -1.0 -1.0 1971611 ChemDiv1_002701 FC(F)(F)c1cccc(Cc2cnc(NC(=O)c3sc4ccccc4c3Cl)s2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K18 compound treatment 0.378 0.028 1.0 0.365 0.015 1.0 -1.0 -1.0 1944029 ChemDiv1_002702 COCCOC(=O)C1=C(C)NC(=C(C1c2cn(nc2c3cccc(c3)[N+](=O)[O-])c4ccccc4)C(=O)OCCOC)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K19 compound treatment 0.335 -0.015 -1.0 0.36 0.01 1.0 -1.0 -1.0 1971612 ChemDiv1_002703 CC(C)OCCOC(=O)C1=C(C)NC(=O)NC1c2ccccc2OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K20 compound treatment 0.355 0.005 1.0 0.369 0.019 1.0 -1.0 -1.0 1710045 ChemDiv1_002704 CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K21 compound treatment 0.349 -0.001 -1.0 0.369 0.019 1.0 -1.0 -1.0 1971613 ChemDiv1_002705 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc4OCOc4c3)C(=O)CC(C2)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K22 compound treatment 0.341 -0.009 -1.0 0.36 0.01 1.0 -1.0 -1.0 1971614 ChemDiv1_002706 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OCC(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 K24 positive control 0.087 -0.263 -1.0 0.092 -0.258 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L01 compound treatment 0.361 0.011 1.0 0.379 0.029 1.0 -1.0 -1.0 1928857 ChemDiv1_002707 CC(Sc1nnc(o1)c2cccnc2)C(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L02 compound treatment 0.36 0.01 1.0 0.358 0.008 1.0 -1.0 -1.0 1708155 ChemDiv1_002708 CCOC(=O)c1c(CN2CCOCC2)n(c3ccccc3)c4cc(Br)c(O)c(CN(C)C)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L03 compound treatment 0.423 0.073 1.0 0.427 0.077 1.0 -1.0 -1.0 1782798 ChemDiv1_002709 NC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L04 compound treatment 0.399 0.049 1.0 0.411 0.061 1.0 -1.0 -1.0 1230508 ChemDiv1_002710 O=C(CSc1nc2ccccc2o1)Nc3cccc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L05 compound treatment 0.397 0.047 1.0 0.392 0.042 1.0 -1.0 -1.0 1173092 ChemDiv1_002711 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cccc(Br)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L06 compound treatment 0.354 0.004 1.0 0.368 0.018 1.0 -1.0 -1.0 1346691 ChemDiv1_002712 O(c1ccccc1)c2nnc(Oc3ccccc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L07 compound treatment 0.4 0.05 1.0 0.425 0.075 1.0 -1.0 -1.0 1971615 ChemDiv1_002713 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(cc4)c5nc6ccc(cc6[nH]5)N7C(=O)C8C9CC(C=C9)C8C7=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L08 compound treatment 0.339 -0.011 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1487319 ChemDiv1_002714 Nc1ncnc2n(C3OC(CO)C(O)C3O)c(nc12)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L09 compound treatment 0.353 0.003 1.0 0.365 0.015 1.0 -1.0 -1.0 1928124 ChemDiv1_002715 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)N3CCN(CC3)C4=NC(=O)/C(=C\c5ccc(C)cc5)/S4)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L10 compound treatment 0.363 0.013 1.0 0.384 0.034 1.0 -1.0 -1.0 1476245 ChemDiv1_002716 COc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OCC4CCCO4)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L11 compound treatment 0.426 0.076 1.0 0.437 0.087 1.0 -1.0 -1.0 1364558 ChemDiv1_002717 NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L12 compound treatment 0.405 0.055 1.0 0.372 0.022 1.0 -1.0 -1.0 1971616 ChemDiv1_002718 Cc1sc2nc(oc(=O)c2c1C)c3ccco3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L13 compound treatment 0.394 0.044 1.0 0.416 0.066 1.0 -1.0 -1.0 1633829 ChemDiv1_002719 COc1cccc(c1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L14 compound treatment 0.348 -0.002 -1.0 0.356 0.006 1.0 -1.0 -1.0 1971617 ChemDiv1_002720 Cc1ccc(cc1)S(=O)(=O)N(/C=C/2\Sc3ccccc3C2=O)c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L15 compound treatment 0.389 0.039 1.0 0.409 0.059 1.0 -1.0 -1.0 1235159 ChemDiv1_002721 COC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L16 compound treatment 0.38 0.03 1.0 0.41 0.06 1.0 -1.0 -1.0 1971618 ChemDiv1_002722 CC(C)(C)c1ccc(cc1)c2nc3scc(c4cccs4)c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L17 compound treatment 0.358 0.008 1.0 0.371 0.021 1.0 -1.0 -1.0 1971619 ChemDiv1_002723 COc1ccc(NC(=O)CSc2nc3CCCCCc3cc2C#N)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L18 compound treatment 0.335 -0.015 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1352344 ChemDiv1_002724 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccc(F)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L19 compound treatment 0.343 -0.007 -1.0 0.355 0.005 1.0 -1.0 -1.0 1548700 ChemDiv1_002725 COC(=O)CCC(=O)c1oc2ccc(Cl)cc2c1N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L20 compound treatment 0.347 -0.003 -1.0 0.363 0.013 1.0 -1.0 -1.0 1407038 ChemDiv1_002726 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccccc3OC)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L21 compound treatment 0.339 -0.011 -1.0 0.357 0.007 1.0 -1.0 -1.0 1732558 ChemDiv1_002727 COC(=O)CCC(=O)c1oc2ccccc2c1N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L22 compound treatment 0.345 -0.005 -1.0 0.361 0.011 1.0 -1.0 -1.0 1219593 ChemDiv1_002728 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccc(C)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 L24 positive control 0.086 -0.264 -1.0 0.092 -0.258 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M01 compound treatment 0.388 0.038 1.0 0.4 0.05 1.0 -1.0 -1.0 1943116 ChemDiv1_002729 COc1ccc(cc1)S(=O)(=O)N2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M02 compound treatment 0.348 -0.002 -1.0 0.361 0.011 1.0 -1.0 -1.0 1235030 ChemDiv1_002730 CCOc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M03 compound treatment 0.377 0.027 1.0 0.378 0.028 1.0 -1.0 -1.0 1971620 ChemDiv1_002731 COc1cc(cc2sc(NC(=O)c3ccccc3NS(=O)(=O)c4ccc(C)cc4)nc12)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M04 compound treatment 0.349 -0.001 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971621 ChemDiv1_002732 Cc1ccc(c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)c(Br)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M05 compound treatment 0.324 -0.026 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1293571 ChemDiv1_002733 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)C(C)(C)C)c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M06 compound treatment 0.386 0.036 1.0 0.394 0.044 1.0 -1.0 -1.0 1971622 ChemDiv1_002734 [O-][N+](=O)c1cc2OCOc2cc1C3SCC(=O)N3c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M07 compound treatment 0.388 0.038 1.0 0.374 0.024 1.0 -1.0 -1.0 1971623 ChemDiv1_002735 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cccc(OC)c4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M08 compound treatment 0.339 -0.011 -1.0 0.354 0.004 1.0 -1.0 -1.0 1971624 ChemDiv1_002736 COc1cc(N/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O)c(OC)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M09 compound treatment 0.394 0.044 1.0 0.398 0.048 1.0 -1.0 -1.0 1971625 ChemDiv1_002737 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cccc(c4)[N+](=O)[O-])c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M10 compound treatment 0.372 0.022 1.0 0.363 0.013 1.0 -1.0 -1.0 1470599 ChemDiv1_002738 COc1ccc(cc1OC)C2=NN3C(C2)c4ccccc4OC3c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M11 compound treatment 0.345 -0.005 -1.0 0.354 0.004 1.0 -1.0 -1.0 1290240 ChemDiv1_002739 CCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(c3ccccc3)c2c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M12 compound treatment 0.338 -0.012 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1121121 ChemDiv1_002740 CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Oc2cccc3cccnc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M13 compound treatment 0.346 -0.004 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1589578 ChemDiv1_002741 CCOC(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)nc1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M14 compound treatment 0.407 0.057 1.0 0.428 0.078 1.0 -1.0 -1.0 1944027 ChemDiv1_002742 O=C/1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c3cn(nc3c4cccs4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M15 compound treatment 0.323 -0.027 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971626 ChemDiv1_002743 Cc1ccccc1CC2S/C(=N/c3ccccc3)/NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M16 compound treatment 0.253 -0.097 -1.0 0.275 -0.075 -1.0 -1.0 -1.0 1943905 ChemDiv1_002744 CN1CCN(CC1)c2nc3ccccn3c(=O)c2/C=C/4\SC(=S)N(CCc5ccccc5)C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M17 compound treatment 0.385 0.035 1.0 0.398 0.048 1.0 -1.0 -1.0 1971627 ChemDiv1_002745 CC(=O)N1N=C(CC1c2ccco2)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M18 compound treatment 0.359 0.009 1.0 0.361 0.011 1.0 -1.0 -1.0 1971628 ChemDiv1_002746 COCCOC(=O)C1=C(C)NC(=C(C1c2cn(nc2c3ccc(cc3)[N+](=O)[O-])c4ccccc4)C(=O)OCCOC)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M19 compound treatment 0.377 0.027 1.0 0.388 0.038 1.0 -1.0 -1.0 1971629 ChemDiv1_002747 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)ccc3OC)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M20 compound treatment 0.367 0.017 1.0 0.365 0.015 1.0 -1.0 -1.0 1621837 ChemDiv1_002748 CCOc1ccc(cc1OC)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M21 compound treatment 0.381 0.031 1.0 0.377 0.027 1.0 -1.0 -1.0 1971630 ChemDiv1_002749 CCC(C)OC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3[N+](=O)[O-])C(=O)CC(C2)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M22 compound treatment 0.326 -0.024 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1152730 ChemDiv1_002750 CC1=C(C(NC(=O)N1)c2cccc(OCc3ccccc3)c2)C(=O)OCC4CCCO4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 M24 positive control 0.089 -0.261 -1.0 0.093 -0.257 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N01 compound treatment 0.35 0.0 -1.0 0.36 0.01 1.0 -1.0 -1.0 1971631 ChemDiv1_002751 C/N=C/1\SC(CC(=O)Nc2ccccc2F)C(=O)N1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N02 compound treatment 0.332 -0.018 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1167964 ChemDiv1_002752 CCOC(=O)c1c(CN2CCN(CC2)c3ccccc3C)n(c4ccccc4)c5cc(Br)c(OC(=O)C)cc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N03 compound treatment 0.341 -0.009 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1782803 ChemDiv1_002753 [O-][N+](=O)c1cccc2C(=O)N(CCC(=O)NCC3CCCO3)C(=O)c21 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N04 compound treatment 0.381 0.031 1.0 0.388 0.038 1.0 -1.0 -1.0 1574377 ChemDiv1_002754 O=C(CSc1nc2ccccc2s1)OCC(=O)N3c4ccccc4Sc5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N05 compound treatment 0.324 -0.026 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1945925 ChemDiv1_002755 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3cccc(c3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N06 compound treatment 0.494 0.144 1.0 0.454 0.104 1.0 -1.0 -1.0 1334781 ChemDiv1_002756 Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N07 compound treatment 0.36 0.01 1.0 0.413 0.063 1.0 -1.0 -1.0 1944155 ChemDiv1_002757 CC1CCc2c(C#N)c(NC(=O)CSc3nncn3C)sc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N08 compound treatment 0.344 -0.006 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971632 ChemDiv1_002758 CCCCOc1ncnc2n(CCCl)cnc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N09 compound treatment 0.356 0.006 1.0 0.358 0.008 1.0 -1.0 -1.0 1971633 ChemDiv1_002759 Cc1ccc(C)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N10 compound treatment 0.353 0.003 1.0 0.367 0.017 1.0 -1.0 -1.0 1971634 ChemDiv1_002760 Cc1ccccc1C2C(=C(Oc3ccccc23)c4ccccc4)C=c5sc6nc7ccccc7n6c5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N11 compound treatment 0.346 -0.004 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971635 ChemDiv1_002761 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N12 compound treatment 0.335 -0.015 -1.0 0.363 0.013 1.0 -1.0 -1.0 1971636 ChemDiv1_002762 CC(=O)N(/C=C/1\Sc2ccccc2C1=O)c3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N13 compound treatment 0.397 0.047 1.0 0.431 0.081 1.0 -1.0 -1.0 1971637 ChemDiv1_002763 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N14 compound treatment 0.373 0.023 1.0 0.397 0.047 1.0 -1.0 -1.0 1971638 ChemDiv1_002764 Clc1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N15 compound treatment 0.412 0.062 1.0 0.421 0.071 1.0 -1.0 -1.0 1784038 ChemDiv1_002765 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc5OCOc5c4)C(=O)OC6CCCC6)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N16 compound treatment 0.344 -0.006 -1.0 0.367 0.017 1.0 -1.0 -1.0 1971639 ChemDiv1_002766 Fc1ccccc1c2nc3sc4CCCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N17 compound treatment 0.34 -0.01 -1.0 0.356 0.006 1.0 -1.0 -1.0 1971640 ChemDiv1_002767 CN(C)c1ccc(/C=C\2/C(=O)N(C(c3ccccc3)S2(=O)=O)c4ccc(C)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N18 compound treatment 0.35 0.0 -1.0 0.369 0.019 1.0 -1.0 -1.0 1473052 ChemDiv1_002768 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccccc3Br)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N19 compound treatment 0.345 -0.005 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1390878 ChemDiv1_002769 COC(=O)c1oc2ccccc2c1N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N20 compound treatment 0.348 -0.002 -1.0 0.36 0.01 1.0 -1.0 -1.0 1680541 ChemDiv1_002770 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccc(OC)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N21 compound treatment 0.366 0.016 1.0 0.38 0.03 1.0 -1.0 -1.0 1485591 ChemDiv1_002771 Nc1c(oc2ccccc12)C(=O)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N22 compound treatment 0.345 -0.005 -1.0 0.361 0.011 1.0 -1.0 -1.0 1368959 ChemDiv1_002772 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3ccccc3F)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 N24 positive control 0.088 -0.262 -1.0 0.095 -0.255 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O01 compound treatment 0.338 -0.012 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971641 ChemDiv1_002773 O=C1N(CCN2CCN(CC2)S(=O)(=O)c3cccs3)C(=O)c4cccc5cccc1c45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O02 compound treatment 0.341 -0.009 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971642 ChemDiv1_002774 CCCOc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O03 compound treatment 0.328 -0.022 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971643 ChemDiv1_002775 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nnc(s2)C3(CC4CC5CC(C4)C3)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O04 compound treatment 0.436 0.086 1.0 0.411 0.061 1.0 -1.0 -1.0 1927494 ChemDiv1_002776 OC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O05 compound treatment 0.332 -0.018 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1484090 ChemDiv1_002777 CCCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(c3ccccc3)c2c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O06 compound treatment 0.377 0.027 1.0 0.384 0.034 1.0 -1.0 -1.0 1971644 ChemDiv1_002778 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)N(CC)CC)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O07 compound treatment 0.354 0.004 1.0 0.358 0.008 1.0 -1.0 -1.0 1971645 ChemDiv1_002779 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4ccc(OC)cc4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O08 compound treatment 0.34 -0.01 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971646 ChemDiv1_002780 COc1cc(N/C=C(\C#N)/c2nc(cs2)c3cc4cc(Br)ccc4oc3=O)c(OC)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O09 compound treatment 0.359 0.009 1.0 0.364 0.014 1.0 -1.0 -1.0 1971647 ChemDiv1_002781 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)c4cccc(F)c4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O10 compound treatment 0.364 0.014 1.0 0.365 0.015 1.0 -1.0 -1.0 1971648 ChemDiv1_002782 COc1ccc(cc1OC)C2Oc3ccccc3C4CC(=NN42)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O11 compound treatment 0.392 0.042 1.0 0.383 0.033 1.0 -1.0 -1.0 1485797 ChemDiv1_002783 CCOC(=O)c1c(C)n(c2ccccc2)c3c1cc(OC(=O)COc4ccccc4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O12 compound treatment 0.483 0.133 1.0 0.488 0.138 1.0 -1.0 -1.0 1668711 ChemDiv1_002784 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC(=O)N)c4ccccc34)c(=O)n2C1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O13 compound treatment 0.417 0.067 1.0 0.425 0.075 1.0 -1.0 -1.0 1146346 ChemDiv1_002785 Clc1c(sc2ccccc12)C(=O)Nc3nc(cs3)c4ccc(Oc5ccccc5)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O14 compound treatment 0.418 0.068 1.0 0.435 0.085 1.0 -1.0 -1.0 1219371 ChemDiv1_002786 COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc(OC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O15 compound treatment 0.361 0.011 1.0 0.392 0.042 1.0 -1.0 -1.0 1971649 ChemDiv1_002787 Clc1cccc(CC2S/C(=N\c3ccccc3)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O16 compound treatment 0.328 -0.022 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1943950 ChemDiv1_002788 CN1CCN(CC1)c2nc3ccccn3c(=O)c2/C=C/4\SC(=S)N(Cc5ccco5)C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O17 compound treatment 0.376 0.026 1.0 0.392 0.042 1.0 -1.0 -1.0 1971650 ChemDiv1_002789 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O18 compound treatment 0.395 0.045 1.0 0.385 0.035 1.0 -1.0 -1.0 1971651 ChemDiv1_002790 COCCOC(=O)C1=C(C)NC(=C(C1c2cn(nc2c3cccs3)c4ccccc4)C(=O)OCCOC)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O19 compound treatment 0.376 0.026 1.0 0.395 0.045 1.0 -1.0 -1.0 1544987 ChemDiv1_002791 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C#N)C3c4cc(OC)c(OC)cc4Br)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O20 compound treatment 0.37 0.02 1.0 0.399 0.049 1.0 -1.0 -1.0 1273012 ChemDiv1_002792 COC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C2)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O21 compound treatment 0.399 0.049 1.0 0.41 0.06 1.0 -1.0 -1.0 1304474 ChemDiv1_002793 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4ccc5OCOc5c4)C(=O)OCc6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O22 compound treatment 0.366 0.016 1.0 0.384 0.034 1.0 -1.0 -1.0 1971652 ChemDiv1_002794 CCSCCOC(=O)C1=C(C)NC(=O)NC1c2ccc(OCc3ccccc3)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 O24 positive control 0.095 -0.255 -1.0 0.096 -0.254 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P01 compound treatment 0.353 0.003 1.0 0.365 0.015 1.0 -1.0 -1.0 1943813 ChemDiv1_002795 OC(=O)c1cccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P02 compound treatment 0.353 0.003 1.0 0.359 0.009 1.0 -1.0 -1.0 1217681 ChemDiv1_002796 CCOC(=O)c1c(CN2CCCCC2)n(Cc3ccccc3)c4cc(Br)c(O)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P03 compound treatment 0.345 -0.005 -1.0 0.352 0.002 1.0 -1.0 -1.0 1318158 ChemDiv1_002797 Fc1cccc(c1)c2nc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P04 compound treatment 0.366 0.016 1.0 0.365 0.015 1.0 -1.0 -1.0 1971653 ChemDiv1_002798 Cn1cnnc1SCC(=O)Nc2ccc(Cl)cn2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P05 compound treatment 0.341 -0.009 -1.0 0.355 0.005 1.0 -1.0 -1.0 1971654 ChemDiv1_002799 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccccc2)C(=O)Nc3cccc(c3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P06 compound treatment 0.408 0.058 1.0 0.421 0.071 1.0 -1.0 -1.0 1971655 ChemDiv1_002800 COCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Cl)C(=O)CC(C2)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P07 compound treatment 0.429 0.079 1.0 0.439 0.089 1.0 -1.0 -1.0 1574121 ChemDiv1_002801 CCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Cl)C(=O)CC(C2)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P08 compound treatment 0.447 0.097 1.0 0.46 0.11 1.0 -1.0 -1.0 1971656 ChemDiv1_002802 COc1ccc(cc1)C(Nc2ncnc3n(cnc23)C4CCC(=CC4)CO)(c5ccccc5)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P09 compound treatment 0.406 0.056 1.0 0.404 0.054 1.0 -1.0 -1.0 1333526 ChemDiv1_002803 NS(=O)(=O)c1ccc(NC(=O)CCSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P10 compound treatment 0.376 0.026 1.0 0.384 0.034 1.0 -1.0 -1.0 1971657 ChemDiv1_002804 CCOc1ccc(cc1)C2=C(C=c3sc4nc5ccccc5n4c3=O)C(c6ccc(F)cc6)c7ccccc7O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P11 compound treatment 0.396 0.046 1.0 0.415 0.065 1.0 -1.0 -1.0 1427161 ChemDiv1_002805 O=C(Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P12 compound treatment 0.644 0.294 1.0 0.659 0.309 1.0 -1.0 -1.0 1971658 ChemDiv1_002806 CC(=O)Oc1ccccc1N(/C=C\2/Sc3ccccc3C2=O)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P13 compound treatment 0.379 0.029 1.0 0.401 0.051 1.0 -1.0 -1.0 1688435 ChemDiv1_002807 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)c4ccc(cc4)C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P14 compound treatment 0.376 0.026 1.0 0.388 0.038 1.0 -1.0 -1.0 1971659 ChemDiv1_002808 CCOC(=O)c1c(C)n(c2ccc(Cl)cc2)c3ccc(OC(=O)/C=C/c4ccccc4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P15 compound treatment 0.43 0.08 1.0 0.454 0.104 1.0 -1.0 -1.0 1733122 ChemDiv1_002809 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc(OC)ccc4OC)C(=O)OC5CCCC5)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P16 compound treatment 0.352 0.002 1.0 0.357 0.007 1.0 -1.0 -1.0 1971660 ChemDiv1_002810 Fc1ccc(cc1)c2nc3sc4CCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P17 compound treatment 0.424 0.074 1.0 0.43 0.08 1.0 -1.0 -1.0 1971661 ChemDiv1_002811 O=C(CSc1nc2ccccc2[nH]1)Nc3sc4CCCCc4c3C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P18 compound treatment 0.399 0.049 1.0 0.411 0.061 1.0 -1.0 -1.0 1234636 ChemDiv1_002812 CCN(CC)c1ccc(cc1)n2c(C)c(C(=O)O)c3cc(OC)c4ccccc4c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P19 compound treatment 0.43 0.08 1.0 0.427 0.077 1.0 -1.0 -1.0 1310420 ChemDiv1_002813 Nc1c(oc2ccc(Br)cc12)C(=O)c3ccc(Br)s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P20 compound treatment 0.349 -0.001 -1.0 0.355 0.005 1.0 -1.0 -1.0 1573513 ChemDiv1_002814 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c3cccc4ccccc34)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P21 compound treatment 0.373 0.023 1.0 0.387 0.037 1.0 -1.0 -1.0 1178182 ChemDiv1_002815 CCOC(=O)c1c(CN2CCN(CC#N)CC2)n(c3ccccc3)c4cc(Br)c(OC)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P22 compound treatment 0.361 0.011 1.0 0.36 0.01 1.0 -1.0 -1.0 1971662 ChemDiv1_002816 CCCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(CCCC)c2c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.594 P24 positive control 0.096 -0.254 -1.0 0.097 -0.253 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A01 compound treatment 0.364 0.014 1.0 0.365 0.015 1.0 -1.0 -1.0 1315851 ChemDiv1_002817 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)C(C)(C)C)c3ccccc3c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A02 compound treatment 0.371 0.021 1.0 0.365 0.015 1.0 -1.0 -1.0 1971663 ChemDiv1_002818 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccccc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A03 compound treatment 0.341 -0.009 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971664 ChemDiv1_002819 COc1ccc(cc1)C(=O)Oc2ccc(C)cc2/C=C/3\Sc4ccccc4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A04 compound treatment 0.345 -0.005 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971665 ChemDiv1_002820 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccccc4OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A05 compound treatment 0.348 -0.002 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971666 ChemDiv1_002821 O=c1oc(/C=C/c2ccco2)nc3sc4CCCCc4c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A06 compound treatment 0.345 -0.005 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971667 ChemDiv1_002822 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccc(OC)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A07 compound treatment 0.37 0.02 1.0 0.373 0.023 1.0 -1.0 -1.0 1971668 ChemDiv1_002823 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccc(Cl)cc3)C(=O)O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A08 compound treatment 0.352 0.002 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971669 ChemDiv1_002824 COC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cc(Cl)ccc3Cl)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A09 compound treatment 0.401 0.051 1.0 0.394 0.044 1.0 -1.0 -1.0 1971670 ChemDiv1_002825 COc1ccc(/N=C/2\SC(CC(=O)N2CCc3ccc(OC)c(OC)c3)C(=O)Nc4ccccc4OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A10 compound treatment 0.378 0.028 1.0 0.371 0.021 1.0 -1.0 -1.0 1971671 ChemDiv1_002826 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A11 compound treatment 0.345 -0.005 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971672 ChemDiv1_002827 COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(OC)cc5)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A12 compound treatment 0.362 0.012 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1941012 ChemDiv1_002828 ClC1=CCC2C(C1)C(=O)N(CN(CN3C(=O)C4CC=C(Cl)CC4C3=O)Cc5ccco5)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A13 compound treatment 0.346 -0.004 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971673 ChemDiv1_002829 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(C)cc3C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A14 compound treatment 0.376 0.026 1.0 0.366 0.016 1.0 -1.0 -1.0 1971674 ChemDiv1_002830 CC(C)Nc1nc(NC(C)C)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A15 compound treatment 0.349 -0.001 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971675 ChemDiv1_002831 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(cc3)C(=O)OC)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A16 compound treatment 0.359 0.009 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1302605 ChemDiv1_002832 CCN1C(=O)C(O)(C2COC(C)(C)CC2=O)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A17 compound treatment 0.345 -0.005 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971676 ChemDiv1_002833 CCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(cc3)C(=O)OC)/S2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A18 compound treatment 0.346 -0.004 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1348235 ChemDiv1_002834 COC(=O)CN(C#N)c1nc(NCc2ccccc2)nc(OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A19 compound treatment 0.351 0.001 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971677 ChemDiv1_002835 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(OC)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A20 compound treatment 0.339 -0.011 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971678 ChemDiv1_002836 CCOC(=O)c1sc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)c(C(=O)OCC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A21 compound treatment 0.347 -0.003 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971679 ChemDiv1_002837 COc1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccc(Cl)c(c3)C(F)(F)F)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A22 compound treatment 0.35 0.0 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971680 ChemDiv1_002838 COc1ccc(cc1OC)c2cc(n3nc(cc3n2)C(=O)Nc4ccc(cc4)C(=O)C)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 A24 positive control 0.083 -0.267 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B01 compound treatment 0.365 0.015 1.0 0.362 0.012 1.0 -1.0 -1.0 1971681 ChemDiv1_002839 COc1ccc(cc1)c2cc(n3nc(cc3n2)C(=O)Nc4cccc(c4)C(=O)C)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B02 compound treatment 0.389 0.039 1.0 0.401 0.051 1.0 -1.0 -1.0 1971682 ChemDiv1_002840 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2F)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B03 compound treatment 0.352 0.002 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971683 ChemDiv1_002841 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)Nc4c(C)n(C)n(c5ccccc5)c4=O)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B04 compound treatment 0.356 0.006 1.0 0.326 -0.024 -1.0 -1.0 -1.0 1971684 ChemDiv1_002842 Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B05 compound treatment 0.398 0.048 1.0 0.379 0.029 1.0 -1.0 -1.0 1971685 ChemDiv1_002843 CN(Cc1ccccc1)C(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B06 compound treatment 0.334 -0.016 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1324538 ChemDiv1_002844 COC(=O)c1ccccc1NC(=O)CSc2nc3cc(OC)ccc3[nH]2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B07 compound treatment 0.349 -0.001 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971686 ChemDiv1_002845 Fc1ccc(NC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)c(F)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B08 compound treatment 0.373 0.023 1.0 0.356 0.006 1.0 -1.0 -1.0 1259663 ChemDiv1_002846 O=C(Nc1ccc(cc1)c2cc3ccccc3oc2=O)c4ccc5OCCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B09 compound treatment 0.348 -0.002 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971687 ChemDiv1_002847 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N3CCOCC3)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B10 compound treatment 0.353 0.003 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971688 ChemDiv1_002848 OC(=O)c1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B11 compound treatment 0.357 0.007 1.0 0.325 -0.025 -1.0 -1.0 -1.0 1971689 ChemDiv1_002849 COc1ccc(cc1OC)c2cc(n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B12 compound treatment 0.347 -0.003 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1945511 ChemDiv1_002850 Cc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B13 compound treatment 0.373 0.023 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971690 ChemDiv1_002851 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(O)c(OC)c4)C(=O)OCCOc5ccccc5)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B14 compound treatment 0.321 -0.029 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1971691 ChemDiv1_002852 CCOC(=O)c1c(C)c(sc1NC(=O)CCc2ccccc2)C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B15 compound treatment 0.336 -0.014 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1266671 ChemDiv1_002853 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B16 compound treatment 0.353 0.003 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971692 ChemDiv1_002854 CCCOc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B17 compound treatment 0.346 -0.004 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1546931 ChemDiv1_002855 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccs2)C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B18 compound treatment 0.307 -0.043 -1.0 0.292 -0.058 -1.0 -1.0 -1.0 1684044 ChemDiv1_002856 O=C(On1c(nc2ccccc2c1=O)c3ccccc3)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B19 compound treatment 0.353 0.003 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1199419 ChemDiv1_002857 COC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc4CCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B20 compound treatment 0.346 -0.004 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1187744 ChemDiv1_002858 Clc1nc(NCc2ccco2)nc(Nc3nc(cs3)c4ccccc4)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B21 compound treatment 0.367 0.017 1.0 0.368 0.018 1.0 -1.0 -1.0 1943418 ChemDiv1_002859 COc1ccc(cc1)C2=NN(C(C2)c3ccc(Br)cc3)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B22 compound treatment 0.342 -0.008 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1468275 ChemDiv1_002860 COc1ccccc1NC2CC(C)N(C(=O)c3ccc(C)cc3)c4c(C)cccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 B24 positive control 0.078 -0.272 -1.0 0.077 -0.273 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C01 compound treatment 0.369 0.019 1.0 0.361 0.011 1.0 -1.0 -1.0 1493276 ChemDiv1_002861 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)Cc3ccccc3)c4ccccc4c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C02 compound treatment 0.345 -0.005 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971693 ChemDiv1_002862 COc1ccc(NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c4ccc(OC)cc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C03 compound treatment 0.351 0.001 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971694 ChemDiv1_002863 COc1ccc(cc1)c2csc3nc(oc(=O)c23)c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C04 compound treatment 0.337 -0.013 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971695 ChemDiv1_002864 COc1ccccc1NC(=O)C2CC(=O)N(CCc3ccccc3)/C(=N/c4ccccc4)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C05 compound treatment 0.338 -0.012 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1605374 ChemDiv1_002865 CCOc1ccc(cc1)n2c(C)c(C(=O)OC3CCCCC3)c4cc(OC)ccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C06 compound treatment 0.348 -0.002 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971696 ChemDiv1_002866 COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccccc5)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C07 compound treatment 0.34 -0.01 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1971697 ChemDiv1_002867 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc(OC)cc3)C(=O)Nc4ccccc4OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C08 compound treatment 0.378 0.028 1.0 0.374 0.024 1.0 -1.0 -1.0 1971698 ChemDiv1_002868 OC(=O)c1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)/C(=N/c4ccc(F)cc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C09 compound treatment 0.347 -0.003 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971699 ChemDiv1_002869 COc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(OC)cc5)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C10 compound treatment 0.37 0.02 1.0 0.365 0.015 1.0 -1.0 -1.0 1971700 ChemDiv1_002870 OC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(F)cc5)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C11 compound treatment 0.372 0.022 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971701 ChemDiv1_002871 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(OC)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C12 compound treatment 0.353 0.003 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1689943 ChemDiv1_002872 COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c2ccccc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C13 compound treatment 0.36 0.01 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971702 ChemDiv1_002873 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccccc3Cl)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C14 compound treatment 0.379 0.029 1.0 0.353 0.003 1.0 -1.0 -1.0 1782850 ChemDiv1_002874 CC(=O)Nc1ccc2NC(C3CC=CC3c2c1)c4ccccc4[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C15 compound treatment 0.35 0.0 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1971703 ChemDiv1_002875 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(F)cc3)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C16 compound treatment 0.348 -0.002 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971704 ChemDiv1_002876 CCN(CC)CCCN1C(=O)C2C(C3C2C4C=CC3C5C4C(=O)N(CCCN(CC)CC)C5=O)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C17 compound treatment 0.343 -0.007 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971705 ChemDiv1_002877 CCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(Br)cc3)/S2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C18 compound treatment 0.334 -0.016 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1441771 ChemDiv1_002878 CCOC(=O)CSc1nc2-c3ccccc3CC(CC)(C4CCCCC4)c2c(=O)[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C19 compound treatment 0.345 -0.005 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971706 ChemDiv1_002879 CN/1C(=O)CC(S\C1=N\c2cccc(c2)C(F)(F)F)C(=O)Nc3ccc(F)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C20 compound treatment 0.328 -0.022 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1971707 ChemDiv1_002880 Cc1c([N+](=O)[O-])c(nn1CC(=O)Nc2cc(Oc3cccnc3)cc(c2)[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C21 compound treatment 0.346 -0.004 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971708 ChemDiv1_002881 CN/1C(=O)CC(S\C1=N/c2ccc(Cl)c(c2)C(F)(F)F)C(=O)Nc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C22 compound treatment 0.341 -0.009 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971709 ChemDiv1_002882 COc1ccc(cc1OC)c2cc(n3nc(cc3n2)C(=O)Nc4ccc5OCOc5c4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 C24 positive control 0.084 -0.266 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D01 compound treatment 0.362 0.012 1.0 0.354 0.004 1.0 -1.0 -1.0 1971710 ChemDiv1_002883 CCOC(=O)c1c(NC(=O)c2cnn3c(cc(nc23)c4ccco4)C(F)(F)F)sc5CCCCc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D02 compound treatment 0.362 0.012 1.0 0.355 0.005 1.0 -1.0 -1.0 1971711 ChemDiv1_002884 CC(=O)N1N=C(CC1c2ccccc2F)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D03 compound treatment 0.343 -0.007 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971712 ChemDiv1_002885 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)Nc4cccnc4Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D04 compound treatment 0.376 0.026 1.0 0.368 0.018 1.0 -1.0 -1.0 1214132 ChemDiv1_002886 COc1ccc2nc(NC(=O)CSc3nc4cc(C)ccc4[nH]3)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D05 compound treatment 0.349 -0.001 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971713 ChemDiv1_002887 Fc1ccc(CNC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D06 compound treatment 0.334 -0.016 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1230343 ChemDiv1_002888 COc1ccc(CNC(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D07 compound treatment 0.349 -0.001 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971714 ChemDiv1_002889 COc1cc(NC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D08 compound treatment 0.342 -0.008 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1739426 ChemDiv1_002890 Cc1cc(C)c2oc(nc2c1)c3ccc(NC(=O)c4ccc5OCCOc5c4)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D09 compound treatment 0.337 -0.013 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1971715 ChemDiv1_002891 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCCn3ccnc3)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D10 compound treatment 0.344 -0.006 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1945468 ChemDiv1_002892 CN1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(cc3)C(=O)O)c(Br)c2)/C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D11 compound treatment 0.369 0.019 1.0 0.35 0.0 -1.0 -1.0 -1.0 1943239 ChemDiv1_002893 COCCNC(=O)c1nn2c(cc(nc2c1Cl)c3ccc(OC)c(OC)c3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D12 compound treatment 0.349 -0.001 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1945465 ChemDiv1_002894 CCc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D13 compound treatment 0.401 0.051 1.0 0.352 0.002 1.0 -1.0 -1.0 1971716 ChemDiv1_002895 COc1ccc(C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D14 compound treatment 0.36 0.01 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971717 ChemDiv1_002896 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Cl)C(=O)CC(C2)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D15 compound treatment 0.34 -0.01 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1485964 ChemDiv1_002897 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D16 compound treatment 0.341 -0.009 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1784062 ChemDiv1_002898 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)Nc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D17 compound treatment 0.367 0.017 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971718 ChemDiv1_002899 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(Br)cc3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D18 compound treatment 0.349 -0.001 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971719 ChemDiv1_002900 [O-][N+](=O)c1ccc(cc1)C(=O)CSc2nnc(o2)c3ccco3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D19 compound treatment 0.333 -0.017 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1326627 ChemDiv1_002901 CCOC(=O)c1c(C)c(C)sc1NC(=O)C2COc3ccccc3O2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D20 compound treatment 0.348 -0.002 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1279285 ChemDiv1_002902 C1CN(CCO1)c2nc(Nc3nc(cs3)c4ccccc4)nc(n2)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D21 compound treatment 0.34 -0.01 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1971720 ChemDiv1_002903 CC(=O)N1N=C(CC1c2ccccc2F)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D22 compound treatment 0.333 -0.017 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1395832 ChemDiv1_002904 COc1ccc(cc1)C(=O)N2C(C)CC(Nc3ccc(C)cc3)c4ccc(C)cc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 D24 positive control 0.084 -0.266 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E01 compound treatment 0.364 0.014 1.0 0.355 0.005 1.0 -1.0 -1.0 1297496 ChemDiv1_002905 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)COc3ccccc3)c4ccccc4c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E02 compound treatment 0.397 0.047 1.0 0.401 0.051 1.0 -1.0 -1.0 1971721 ChemDiv1_002906 COc1ccc(/N=C/2\SC(CC(=O)N2CCc3ccc(OC)c(OC)c3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E03 compound treatment 0.355 0.005 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971722 ChemDiv1_002907 COc1ccc(cc1)c2csc3nc(oc(=O)c23)c4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E04 compound treatment 0.335 -0.015 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1971723 ChemDiv1_002908 O=C(Nc1ccccc1)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccccc5)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E05 compound treatment 0.345 -0.005 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1708247 ChemDiv1_002909 COc1ccc(cc1)c2nc3c4c5CC(C)(C)NC(C)(C)c5sc4ncn3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E06 compound treatment 0.354 0.004 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971724 ChemDiv1_002910 COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c4ccccc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E07 compound treatment 0.35 0.0 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1971725 ChemDiv1_002911 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccccc5OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E08 compound treatment 0.387 0.037 1.0 0.387 0.037 1.0 -1.0 -1.0 1971726 ChemDiv1_002912 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccc(F)cc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E09 compound treatment 0.392 0.042 1.0 0.377 0.027 1.0 -1.0 -1.0 1971727 ChemDiv1_002913 COc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccc(cc5)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E10 compound treatment 0.4 0.05 1.0 0.378 0.028 1.0 -1.0 -1.0 1971728 ChemDiv1_002914 OC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccc(F)cc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E11 compound treatment 0.347 -0.003 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1971729 ChemDiv1_002915 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(C)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E12 compound treatment 0.327 -0.023 -1.0 0.308 -0.042 -1.0 -1.0 -1.0 1141939 ChemDiv1_002916 CN(C)c1nc(nc(n1)N(CCOc2ccccc2C)C#N)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E13 compound treatment 0.344 -0.006 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1971730 ChemDiv1_002917 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(OCC)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E14 compound treatment 0.319 -0.031 -1.0 0.301 -0.049 -1.0 -1.0 -1.0 1714810 ChemDiv1_002918 CC(=O)Nc1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E15 compound treatment 0.355 0.005 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971731 ChemDiv1_002919 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccccc3OC)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E16 compound treatment 0.354 0.004 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971732 ChemDiv1_002920 COc1ccccc1N2C(=O)C3C(C4C3C5C=CC4C6C5C(=O)N(C6=O)c7ccccc7OC)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E17 compound treatment 0.345 -0.005 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1971733 ChemDiv1_002921 CCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(C)c(Cl)c3)/S2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E18 compound treatment 0.349 -0.001 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1528170 ChemDiv1_002922 Cn1c(SCC(=O)N2CCOCC2)nc3n(C)c(=O)n(C)c(=O)c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E19 compound treatment 0.353 0.003 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971734 ChemDiv1_002923 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(cc3)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E20 compound treatment 0.347 -0.003 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971735 ChemDiv1_002924 COc1ccc(cc1)c2cc(n3nc(cc3n2)C(=O)Nc4ccc(OC)cc4OC)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E21 compound treatment 0.347 -0.003 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971736 ChemDiv1_002925 COc1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)/C(=N/c4ccc(OC)cc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E22 compound treatment 0.351 0.001 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971737 ChemDiv1_002926 COc1ccc(cc1OC)c2cc(n3nc(cc3n2)C(=O)NCC4CCCO4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 E24 positive control 0.086 -0.264 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F01 compound treatment 0.368 0.018 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971738 ChemDiv1_002927 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)Nc4cc(C)ccc4O)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F02 compound treatment 0.37 0.02 1.0 0.367 0.017 1.0 -1.0 -1.0 1206594 ChemDiv1_002928 COc1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F03 compound treatment 0.36 0.01 1.0 0.351 0.001 1.0 -1.0 -1.0 1971739 ChemDiv1_002929 FC(F)(F)c1cc(nc2c(cnn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F04 compound treatment 0.352 0.002 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971740 ChemDiv1_002930 FC(F)(F)c1ccccc1NC(=O)CSc2nc3ccccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F05 compound treatment 0.367 0.017 1.0 0.358 0.008 1.0 -1.0 -1.0 1971741 ChemDiv1_002931 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)Nc3cccnc3Cl)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F06 compound treatment 0.354 0.004 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971742 ChemDiv1_002932 COc1cccc(NC(=O)CSc2nc3ccccc3n2C(=O)C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F07 compound treatment 0.41 0.06 1.0 0.398 0.048 1.0 -1.0 -1.0 1971743 ChemDiv1_002933 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N3CCN(CC3)C(=O)c4ccccc4)c5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F08 compound treatment 0.374 0.024 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1668404 ChemDiv1_002934 Fc1ccccc1c2nc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F09 compound treatment 0.35 0.0 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971744 ChemDiv1_002935 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCN3CCOCC3)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F10 compound treatment 0.346 -0.004 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971745 ChemDiv1_002936 OC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F11 compound treatment 0.367 0.017 1.0 0.327 -0.023 -1.0 -1.0 -1.0 1971746 ChemDiv1_002937 CCN(CC)CCCNC(=O)c1nn2c(cc(nc2c1Cl)c3ccc(OC)c(OC)c3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F12 compound treatment 0.343 -0.007 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1945437 ChemDiv1_002938 OC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F13 compound treatment 0.357 0.007 1.0 0.324 -0.026 -1.0 -1.0 -1.0 1938187 ChemDiv1_002939 COc1cccc(C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F14 compound treatment 0.385 0.035 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971747 ChemDiv1_002940 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C2)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F15 compound treatment 0.343 -0.007 -1.0 0.308 -0.042 -1.0 -1.0 -1.0 1716164 ChemDiv1_002941 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(F)cc2)C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F16 compound treatment 0.339 -0.011 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1189094 ChemDiv1_002942 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F17 compound treatment 0.337 -0.013 -1.0 0.299 -0.051 -1.0 -1.0 -1.0 1971748 ChemDiv1_002943 CC1=C(C(C2=C(CC(CC2=O)c3ccc(Cl)cc3)N1)c4cccnc4)C(=O)OCCOc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F18 compound treatment 0.343 -0.007 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1926772 ChemDiv1_002944 Brc1ccc(cc1)C(=O)CSc2nnc(o2)c3cccnc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F19 compound treatment 0.347 -0.003 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971749 ChemDiv1_002945 CC/N=C/1\SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F20 compound treatment 0.336 -0.014 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1971750 ChemDiv1_002946 FC(F)(F)c1cccc(NC(=O)CSc2nc3ccccc3o2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F21 compound treatment 0.377 0.027 1.0 0.363 0.013 1.0 -1.0 -1.0 1928138 ChemDiv1_002947 OC(=O)CCC(=O)N1N=C(CC1c2cccc(c2)[N+](=O)[O-])c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F22 compound treatment 0.346 -0.004 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1447227 ChemDiv1_002948 CC1CC(Nc2ccc(C)cc2)c3ccc(C)cc3N1C(=O)c4cccc(F)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 F24 positive control 0.087 -0.263 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G01 compound treatment 0.37 0.02 1.0 0.361 0.011 1.0 -1.0 -1.0 1240434 ChemDiv1_002949 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)COc3ccccc3C)c4ccccc4c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G02 compound treatment 0.366 0.016 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971751 ChemDiv1_002950 COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccc(OC)cc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G03 compound treatment 0.362 0.012 1.0 0.351 0.001 1.0 -1.0 -1.0 1409622 ChemDiv1_002951 O=C1CCC(=O)N1c2ccc(cc2)c3nc4sc5CCCc5c4c(=O)o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G04 compound treatment 0.399 0.049 1.0 0.385 0.035 1.0 -1.0 -1.0 1971752 ChemDiv1_002952 OC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c4ccccc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G05 compound treatment 0.359 0.009 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1172543 ChemDiv1_002953 CC1(C)Cc2c(sc3ncn4nc(nc4c23)c5ccccc5O)C(C)(C)N1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G06 compound treatment 0.384 0.034 1.0 0.353 0.003 1.0 -1.0 -1.0 1971753 ChemDiv1_002954 COc1ccc(NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c4ccccc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G07 compound treatment 0.364 0.014 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971754 ChemDiv1_002955 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccc(F)cc3)C(=O)Nc4ccccc4OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G08 compound treatment 0.346 -0.004 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1971755 ChemDiv1_002956 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccc(F)cc3)C(=O)Nc4ccc(cc4)C(=O)C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G09 compound treatment 0.355 0.005 1.0 0.327 -0.023 -1.0 -1.0 -1.0 1971756 ChemDiv1_002957 COc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccc(F)cc5)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G10 compound treatment 0.382 0.032 1.0 0.373 0.023 1.0 -1.0 -1.0 1971757 ChemDiv1_002958 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccc(Cl)cc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G11 compound treatment 0.344 -0.006 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971758 ChemDiv1_002959 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(Cl)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G12 compound treatment 0.354 0.004 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971759 ChemDiv1_002960 CCN(CC)C(=O)CN(C#N)c1nc(nc(n1)N(C)C)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G13 compound treatment 0.346 -0.004 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971760 ChemDiv1_002961 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(cc3)C(=O)OCC)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G14 compound treatment 0.361 0.011 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1228270 ChemDiv1_002962 CC(C)Sc1nc(N2CCOCC2)c3COC(C)(C)Cc3c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G15 compound treatment 0.334 -0.016 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1971761 ChemDiv1_002963 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3cccc(F)c3)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G16 compound treatment 0.335 -0.015 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1971762 ChemDiv1_002964 Oc1cccc(c1)N2C(=O)C3C(C4C3C5C=CC4C6C5C(=O)N(C6=O)c7cccc(O)c7)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G17 compound treatment 0.333 -0.017 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1971763 ChemDiv1_002965 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccccc3OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G18 compound treatment 0.338 -0.012 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1546202 ChemDiv1_002966 COC(=O)c1ccccc1NC(=O)Cn2c(SC)nc3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G19 compound treatment 0.336 -0.014 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971764 ChemDiv1_002967 CCOc1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(C)c(Cl)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G20 compound treatment 0.376 0.026 1.0 0.365 0.015 1.0 -1.0 -1.0 1928539 ChemDiv1_002968 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)N3CCN(CC3)C(=O)c4ccccc4)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G21 compound treatment 0.318 -0.032 -1.0 0.308 -0.042 -1.0 -1.0 -1.0 1971765 ChemDiv1_002969 COc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N\c5ccc(F)cc5)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G22 compound treatment 0.337 -0.013 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1971766 ChemDiv1_002970 COc1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc(OC)c(OC)c4)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 G24 positive control 0.089 -0.261 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H01 compound treatment 0.386 0.036 1.0 0.371 0.021 1.0 -1.0 -1.0 1971767 ChemDiv1_002971 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)Nc4ccc(cc4)C(=O)C)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H02 compound treatment 0.408 0.058 1.0 0.391 0.041 1.0 -1.0 -1.0 1971768 ChemDiv1_002972 Brc1ccc2[nH]c(=O)c(C3=NN(C(C3)c4ccccc4)C(=O)c5ccncc5)c(c6ccccc6)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H03 compound treatment 0.35 0.0 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971769 ChemDiv1_002973 COc1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc5OCOc5c4)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H04 compound treatment 0.392 0.042 1.0 0.383 0.033 1.0 -1.0 -1.0 1971770 ChemDiv1_002974 CC(=O)c1ccc(NC(=O)CSc2nc3cc(ccc3[nH]2)[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H05 compound treatment 0.365 0.015 1.0 0.353 0.003 1.0 -1.0 -1.0 1971771 ChemDiv1_002975 Fc1ccc(cc1)N2CCN(CC2)C(=O)c3nn4c(cc(nc4c3Cl)c5ccco5)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H06 compound treatment 0.345 -0.005 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1971772 ChemDiv1_002976 CC1CCc2c(C1)sc3nc(oc(=O)c23)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H07 compound treatment 0.377 0.027 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971773 ChemDiv1_002977 COc1cc(NC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H08 compound treatment 0.389 0.039 1.0 0.389 0.039 1.0 -1.0 -1.0 1532693 ChemDiv1_002978 COc1ccc(cc1)n2nc3ccc(NC(=O)c4ccc5OCCOc5c4)cc3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H09 compound treatment 0.444 0.094 1.0 0.384 0.034 1.0 -1.0 -1.0 1971774 ChemDiv1_002979 COc1ccc(cc1OC)c2cc(n3nc(C(=O)N4CCN(C)CC4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H10 compound treatment 0.372 0.022 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1945601 ChemDiv1_002980 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H11 compound treatment 0.36 0.01 1.0 0.354 0.004 1.0 -1.0 -1.0 1399164 ChemDiv1_002981 O=C(Nc1ccc(cc1)c2nc3ncccc3o2)c4ccc5CCc6cccc4c65 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H12 compound treatment 0.359 0.009 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971775 ChemDiv1_002982 OC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H13 compound treatment 0.347 -0.003 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1327648 ChemDiv1_002983 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2)C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H14 compound treatment 0.365 0.015 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971776 ChemDiv1_002984 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccccc3Cl)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H15 compound treatment 0.332 -0.018 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1784055 ChemDiv1_002985 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)Nc3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H16 compound treatment 0.328 -0.022 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1726949 ChemDiv1_002986 CCOC(=O)c1c(CN2CCC(C)CC2)n(C)c3cc(Br)c(OC)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H17 compound treatment 0.379 0.029 1.0 0.353 0.003 1.0 -1.0 -1.0 1340179 ChemDiv1_002987 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc(OC)c(OC)c(OC)c4)C(=O)OCC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H18 compound treatment 0.351 0.001 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1938496 ChemDiv1_002988 COc1ccc(Nc2nc(Nc3ccc(cc3)[N+](=O)[O-])nc(OC)n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H19 compound treatment 0.333 -0.017 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1950508 ChemDiv1_002989 CC/N=C/1\SC(CC(=O)Nc2ccccc2C#N)C(=O)N1CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H20 compound treatment 0.335 -0.015 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1971777 ChemDiv1_002990 Cc1ccc2[nH]c(SCC(=O)Nc3cccc(c3)C(F)(F)F)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H21 compound treatment 0.326 -0.024 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1971778 ChemDiv1_002991 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H22 compound treatment 0.34 -0.01 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1344202 ChemDiv1_002992 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)COc4ccc5ccccc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 H24 positive control 0.091 -0.259 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I01 compound treatment 0.372 0.022 1.0 0.364 0.014 1.0 -1.0 -1.0 1971779 ChemDiv1_002993 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3cccc4ccccc34)c5ccccc5c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I02 compound treatment 0.356 0.006 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971780 ChemDiv1_002994 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccccc4OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I03 compound treatment 0.352 0.002 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1277715 ChemDiv1_002995 Cc1sc2nc(oc(=O)c2c1C)c3ccc(cc3)N4C(=O)CCC4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I04 compound treatment 0.408 0.058 1.0 0.381 0.031 1.0 -1.0 -1.0 1971781 ChemDiv1_002996 COC(=O)c1ccc(NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c4ccccc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I05 compound treatment 0.35 0.0 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1210048 ChemDiv1_002997 COc1ccc(cc1OC)c2nc3c4c5CC(C)(C)NC(C)(C)c5sc4ncn3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I06 compound treatment 0.388 0.038 1.0 0.37 0.02 1.0 -1.0 -1.0 1971782 ChemDiv1_002998 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccccc4)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I07 compound treatment 0.378 0.028 1.0 0.352 0.002 1.0 -1.0 -1.0 1971783 ChemDiv1_002999 COc1ccccc1NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(F)cc5)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I08 compound treatment 0.403 0.053 1.0 0.39 0.04 1.0 -1.0 -1.0 1971784 ChemDiv1_003000 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccc(F)cc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I09 compound treatment 0.365 0.015 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971785 ChemDiv1_003001 COc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccccc5OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I10 compound treatment 0.416 0.066 1.0 0.386 0.036 1.0 -1.0 -1.0 1971786 ChemDiv1_003002 OC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccc(Cl)cc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I11 compound treatment 0.362 0.012 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971787 ChemDiv1_003003 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(F)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I12 compound treatment 0.359 0.009 1.0 0.314 -0.036 -1.0 -1.0 -1.0 1293063 ChemDiv1_003004 COc1ccccc1OCCN(C#N)c2nc(nc(n2)N(C)C)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I13 compound treatment 0.353 0.003 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971788 ChemDiv1_003005 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(C)c(Cl)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I14 compound treatment 0.4 0.05 1.0 0.375 0.025 1.0 -1.0 -1.0 1642630 ChemDiv1_003006 CN1Cc2c(nc3sc(C(=O)c4ccccc4)c(N)c3c2CC1(C)C)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I15 compound treatment 0.32 -0.03 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1971789 ChemDiv1_003007 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3cccc(c3)C(F)(F)F)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I16 compound treatment 0.353 0.003 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971790 ChemDiv1_003008 Oc1ccc(cc1)N2C(=O)C3C(C4C3C5C=CC4C6C5C(=O)N(C6=O)c7ccc(O)cc7)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I17 compound treatment 0.341 -0.009 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971791 ChemDiv1_003009 COc1ccccc1NC(=O)C2CC(=O)N(C)/C(=N\c3cccc(c3)C(F)(F)F)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I18 compound treatment 0.341 -0.009 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1170886 ChemDiv1_003010 COC(=O)c1ccccc1NC(=O)CSc2nc3n(C)c(=O)n(C)c(=O)c3n2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I19 compound treatment 0.354 0.004 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971792 ChemDiv1_003011 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(C)c(Cl)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I20 compound treatment 0.38 0.03 1.0 0.368 0.018 1.0 -1.0 -1.0 1971793 ChemDiv1_003012 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCCCn3ccnc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I21 compound treatment 0.326 -0.024 -1.0 0.306 -0.044 -1.0 -1.0 -1.0 1971794 ChemDiv1_003013 Fc1ccc(/N=C\2/SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccccc5)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I22 compound treatment 0.345 -0.005 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1971795 ChemDiv1_003014 COc1ccc(cc1OC)c2cc(n3nc(cc3n2)C(=O)Nc4cccc(c4)C(=O)C)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 I24 positive control 0.092 -0.258 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J01 compound treatment 0.379 0.029 1.0 0.368 0.018 1.0 -1.0 -1.0 1971796 ChemDiv1_003015 COc1ccc(NC(=O)c2cnn3c(cc(nc23)c4cc(OC)c(OC)c(OC)c4)C(F)(F)F)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J02 compound treatment 0.401 0.051 1.0 0.392 0.042 1.0 -1.0 -1.0 1971797 ChemDiv1_003016 Brc1ccc2[nH]c(=O)c(C3=NN(C(C3)c4ccccc4)C(=O)c5cccnc5)c(c6ccccc6)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J03 compound treatment 0.369 0.019 1.0 0.357 0.007 1.0 -1.0 -1.0 1971798 ChemDiv1_003017 FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCCN3CCOCC3)c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J04 compound treatment 0.407 0.057 1.0 0.382 0.032 1.0 -1.0 -1.0 1971799 ChemDiv1_003018 COc1ccc2nc(NC(=O)CSc3nc4cc(ccc4[nH]3)[N+](=O)[O-])sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J05 compound treatment 0.352 0.002 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1943197 ChemDiv1_003019 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J06 compound treatment 0.351 0.001 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1634373 ChemDiv1_003020 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J07 compound treatment 0.408 0.058 1.0 0.394 0.044 1.0 -1.0 -1.0 1943209 ChemDiv1_003021 COc1ccc(cc1)c2cc(n3nc(C(=O)N4CCOCC4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J08 compound treatment 0.387 0.037 1.0 0.371 0.021 1.0 -1.0 -1.0 1396140 ChemDiv1_003022 Cc1ccc(cc1Cl)n2nc3ccc(NC(=O)c4ccc5OCCOc5c4)cc3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J09 compound treatment 0.391 0.041 1.0 0.379 0.029 1.0 -1.0 -1.0 1971800 ChemDiv1_003023 COc1ccc(cc1OC)c2cc(n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J10 compound treatment 0.351 0.001 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1945399 ChemDiv1_003024 CCc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J11 compound treatment 0.36 0.01 1.0 0.372 0.022 1.0 -1.0 -1.0 1232011 ChemDiv1_003025 COc1ccc(cc1)c2nc3cc(NC(=O)c4cc5ccccc5cc4OC)ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J12 compound treatment 0.361 0.011 1.0 0.353 0.003 1.0 -1.0 -1.0 1945392 ChemDiv1_003026 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J13 compound treatment 0.362 0.012 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1623161 ChemDiv1_003027 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(OC)cc2)C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J14 compound treatment 0.361 0.011 1.0 0.364 0.014 1.0 -1.0 -1.0 1971801 ChemDiv1_003028 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(Cl)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J15 compound treatment 0.35 0.0 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1971802 ChemDiv1_003029 CCOC(=O)C(C)OC(=O)C1=C(C)NC(=O)NC1c2cc(OC)c(OC)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J16 compound treatment 0.353 0.003 1.0 0.319 -0.031 -1.0 -1.0 -1.0 1971803 ChemDiv1_003030 CCOC(=O)c1c(CN2CCC(CC2)(C(=O)OCC)c3ccccc3)n(c4ccccc4)c5cc(Br)c(O)cc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J17 compound treatment 0.357 0.007 1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971804 ChemDiv1_003031 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(OC(=O)C)c(OC)c4)C(=O)OCCOc5ccccc5)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J18 compound treatment 0.344 -0.006 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1300591 ChemDiv1_003032 COc1ccc(Nc2nc(Cl)nc(NCCN3CCOCC3)n2)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J19 compound treatment 0.799 0.449 1.0 0.798 0.448 1.0 -1.0 -1.0 1946093 ChemDiv1_003033 CCc1ccc(/C=C\2/SC(=S)N(CCC(=O)O)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J20 compound treatment 0.347 -0.003 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971805 ChemDiv1_003034 O=C(CSc1nc2ccccc2o1)Nc3ccc4C(=O)c5ccccc5C(=O)c4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J21 compound treatment 0.333 -0.017 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1592777 ChemDiv1_003035 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J22 compound treatment 0.352 0.002 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1711243 ChemDiv1_003036 Cn1cnnc1SCC(=O)N2c3ccccc3C(C)(CC2(C)C)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 J24 positive control 0.089 -0.261 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K01 compound treatment 0.368 0.018 1.0 0.359 0.009 1.0 -1.0 -1.0 1971806 ChemDiv1_003037 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3cccc(c3)[N+](=O)[O-])c4ccccc4c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K02 compound treatment 0.379 0.029 1.0 0.367 0.017 1.0 -1.0 -1.0 1971807 ChemDiv1_003038 Fc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccccc5)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K03 compound treatment 0.351 0.001 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1672455 ChemDiv1_003039 O=C1CCC(=O)N1c2ccc(cc2)c3nc4scc(c5cccs5)c4c(=O)o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K04 compound treatment 0.409 0.059 1.0 0.412 0.062 1.0 -1.0 -1.0 1971808 ChemDiv1_003040 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K05 compound treatment 0.348 -0.002 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1474583 ChemDiv1_003041 COc1ccc(Cc2nc3c4c5CCCCc5sc4ncn3n2)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K06 compound treatment 0.4 0.05 1.0 0.406 0.056 1.0 -1.0 -1.0 1971809 ChemDiv1_003042 COc1ccc(CCN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccc(cc4)C(=O)O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K07 compound treatment 0.38 0.03 1.0 0.359 0.009 1.0 -1.0 -1.0 1971810 ChemDiv1_003043 Fc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)NCCc5ccccc5)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K08 compound treatment 0.36 0.01 1.0 0.355 0.005 1.0 -1.0 -1.0 1971811 ChemDiv1_003044 COc1ccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cccc(c3)C(F)(F)F)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K09 compound treatment 0.385 0.035 1.0 0.413 0.063 1.0 -1.0 -1.0 1971812 ChemDiv1_003045 CCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(OC)cc5)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K10 compound treatment 0.443 0.093 1.0 0.419 0.069 1.0 -1.0 -1.0 1971813 ChemDiv1_003046 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccc(cc5)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K11 compound treatment 0.385 0.035 1.0 0.368 0.018 1.0 -1.0 -1.0 1971814 ChemDiv1_003047 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccccc3OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K12 compound treatment 0.362 0.012 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1711103 ChemDiv1_003048 CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C#N)c2nc(C)cc(C)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K13 compound treatment 0.372 0.022 1.0 0.359 0.009 1.0 -1.0 -1.0 1971815 ChemDiv1_003049 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)NCCc3ccccc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K14 compound treatment 0.346 -0.004 -1.0 0.351 0.001 1.0 -1.0 -1.0 1562270 ChemDiv1_003050 CC(=C)CSc1nc(N2CCOCC2)c3COC(C)(C)Cc3c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K15 compound treatment 0.37 0.02 1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971816 ChemDiv1_003051 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(C)c(C)c3)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K16 compound treatment 0.368 0.018 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1163881 ChemDiv1_003052 COc1ccc(cc1)n2c(SCC#N)nc3sc4CCCCc4c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K17 compound treatment 0.349 -0.001 -1.0 0.357 0.007 1.0 -1.0 -1.0 1971817 ChemDiv1_003053 CCOc1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(Cl)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K18 compound treatment 0.345 -0.005 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1776162 ChemDiv1_003054 Cc1c(Br)c(nn1CC(=O)N2CCN(Cc3ccccc3)CC2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K19 compound treatment 0.338 -0.012 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1971818 ChemDiv1_003055 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccc(F)cc5)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K20 compound treatment 0.355 0.005 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1483873 ChemDiv1_003056 CCOc1ccc(cc1)c2cc(C)n3nc(cc3n2)C(=O)Nc4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K21 compound treatment 0.341 -0.009 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1971819 ChemDiv1_003057 COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(F)cc5)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K22 compound treatment 0.345 -0.005 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971820 ChemDiv1_003058 COc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc(OC)c(OC)c4)cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 K24 positive control 0.087 -0.263 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L01 compound treatment 0.406 0.056 1.0 0.38 0.03 1.0 -1.0 -1.0 1971821 ChemDiv1_003059 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)Nc4ccc(O)cc4)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L02 compound treatment 0.414 0.064 1.0 0.402 0.052 1.0 -1.0 -1.0 1694032 ChemDiv1_003060 COc1ccccc1C2CC(=NN2C(=O)c3ccco3)c4c(c5ccccc5)c6cc(Br)ccc6[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L03 compound treatment 0.37 0.02 1.0 0.358 0.008 1.0 -1.0 -1.0 1971822 ChemDiv1_003061 Cc1c(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc5OCOc5c4)c(=O)n(c6ccccc6)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L04 compound treatment 0.375 0.025 1.0 0.367 0.017 1.0 -1.0 -1.0 1971823 ChemDiv1_003062 COc1ccc(CNC(=O)CSc2nc3cc(ccc3[nH]2)[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L05 compound treatment 0.393 0.043 1.0 0.392 0.042 1.0 -1.0 -1.0 1971824 ChemDiv1_003063 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCCn3ccnc3)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L06 compound treatment 0.403 0.053 1.0 0.389 0.039 1.0 -1.0 -1.0 1147098 ChemDiv1_003064 Cc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccc5OCCOc5c4)cc3O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L07 compound treatment 0.356 0.006 1.0 0.354 0.004 1.0 -1.0 -1.0 1943146 ChemDiv1_003065 COc1ccc(cc1)c2cc(n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L08 compound treatment 0.353 0.003 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1522461 ChemDiv1_003066 CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L09 compound treatment 0.4 0.05 1.0 0.396 0.046 1.0 -1.0 -1.0 1971825 ChemDiv1_003067 COc1ccc(cc1OC)c2cc(n3nc(C(=O)N4CCSCC4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L10 compound treatment 0.338 -0.012 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971826 ChemDiv1_003068 OC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L11 compound treatment 0.429 0.079 1.0 0.408 0.058 1.0 -1.0 -1.0 1780660 ChemDiv1_003069 Oc1cc(NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])ccc1c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L12 compound treatment 0.373 0.023 1.0 0.362 0.012 1.0 -1.0 -1.0 1207581 ChemDiv1_003070 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L13 compound treatment 0.352 0.002 1.0 0.352 0.002 1.0 -1.0 -1.0 1971827 ChemDiv1_003071 CN1C(=C(C(NC1=O)c2ccc(Br)s2)C(=O)OCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L14 compound treatment 0.393 0.043 1.0 0.358 0.008 1.0 -1.0 -1.0 1971828 ChemDiv1_003072 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cccc(c3)[N+](=O)[O-])C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L15 compound treatment 0.359 0.009 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1568329 ChemDiv1_003073 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L16 compound treatment 0.358 0.008 1.0 0.353 0.003 1.0 -1.0 -1.0 1570991 ChemDiv1_003074 CCOC(=O)c1c(CN2CCN(CC2)c3ccccc3)n(C)c4cc(Br)c(OC)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L17 compound treatment 0.394 0.044 1.0 0.367 0.017 1.0 -1.0 -1.0 1496075 ChemDiv1_003075 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(OC)c(OC)c4)C(=O)OCC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L18 compound treatment 0.352 0.002 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1305028 ChemDiv1_003076 COc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L19 compound treatment 0.362 0.012 1.0 0.355 0.005 1.0 -1.0 -1.0 1971829 ChemDiv1_003077 COc1ccccc1C2CC(=NN2C(=O)C)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L20 compound treatment 0.347 -0.003 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971830 ChemDiv1_003078 O=C1C2C(C3C2C4C=CC3C5C4C(=O)N(C6CCCCC6)C5=O)C(=O)N1C7CCCCC7 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L21 compound treatment 0.389 0.039 1.0 0.388 0.038 1.0 -1.0 -1.0 1971831 ChemDiv1_003079 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2Cl)c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L22 compound treatment 0.349 -0.001 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971832 ChemDiv1_003080 CC1(CN2CC3(C)CN(C1)C24C(=O)Nc5ccccc54)C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 L24 positive control 0.089 -0.261 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M01 compound treatment 0.362 0.012 1.0 0.351 0.001 1.0 -1.0 -1.0 1971833 ChemDiv1_003081 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3cccc(Cl)c3)c4ccccc4c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M02 compound treatment 0.354 0.004 1.0 0.393 0.043 1.0 -1.0 -1.0 1971834 ChemDiv1_003082 COc1ccc(CN/2C(=O)CC(S\C2=N/c3ccccc3)C(=O)Nc4ccc(OC)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M03 compound treatment 0.345 -0.005 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971835 ChemDiv1_003083 COc1ccc(/C=C/c2nc3scc(c4cccs4)c3c(=O)o2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M04 compound treatment 0.392 0.042 1.0 0.383 0.033 1.0 -1.0 -1.0 1971836 ChemDiv1_003084 COc1ccccc1NC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c4ccccc4)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M05 compound treatment 0.342 -0.008 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1262178 ChemDiv1_003085 COc1ccc(Cc2nc3c4c5CC(C)(C)NC(C)(C)c5sc4ncn3n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M06 compound treatment 0.338 -0.012 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971837 ChemDiv1_003086 CN/1C(=O)CC(S\C1=N/c2cccc(c2)C(F)(F)F)C(=O)Nc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M07 compound treatment 0.387 0.037 1.0 0.375 0.025 1.0 -1.0 -1.0 1971838 ChemDiv1_003087 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c4ccccc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M08 compound treatment 0.424 0.074 1.0 0.424 0.074 1.0 -1.0 -1.0 1971839 ChemDiv1_003088 OC(=O)c1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)/C(=N/c4ccccc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M09 compound treatment 0.392 0.042 1.0 0.388 0.038 1.0 -1.0 -1.0 1971840 ChemDiv1_003089 COc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)NCCc5ccccc5)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M10 compound treatment 0.364 0.014 1.0 0.36 0.01 1.0 -1.0 -1.0 1971841 ChemDiv1_003090 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccccc5)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M11 compound treatment 0.39 0.04 1.0 0.385 0.035 1.0 -1.0 -1.0 1971842 ChemDiv1_003091 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3ccc(OCC)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M12 compound treatment 0.366 0.016 1.0 0.359 0.009 1.0 -1.0 -1.0 1714667 ChemDiv1_003092 CCOC(=O)CSc1nc2-c3ccccc3CC4(CCCC4)c2c(=O)n1c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M13 compound treatment 0.366 0.016 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971843 ChemDiv1_003093 CN/1C(=O)CC(S\C1=N\c2cccc(c2)C(F)(F)F)C(=O)NCCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M14 compound treatment 0.39 0.04 1.0 0.38 0.03 1.0 -1.0 -1.0 1413010 ChemDiv1_003094 COC(=O)c1ccc(o1)c2sc3nc(N4CCOCC4)c5COC(C)(C)Cc5c3c2N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M15 compound treatment 0.35 0.0 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971844 ChemDiv1_003095 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(C)c(Cl)c3)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M16 compound treatment 0.36 0.01 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971845 ChemDiv1_003096 CCNc1nc(NCC)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M17 compound treatment 0.359 0.009 1.0 0.352 0.002 1.0 -1.0 -1.0 1971846 ChemDiv1_003097 COC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(Cl)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M18 compound treatment 0.338 -0.012 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971847 ChemDiv1_003098 Cc1cc(nn1CC(=O)Nc2cc(Oc3cccnc3)cc(c2)[N+](=O)[O-])C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M19 compound treatment 0.345 -0.005 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971848 ChemDiv1_003099 CCOc1ccc(/N=C/2\SC(CC(=O)N2Cc3ccc4OCOc4c3)C(=O)Nc5ccc(cc5)C(=O)OC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M20 compound treatment 0.332 -0.018 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1253275 ChemDiv1_003100 CCOc1ccc(cc1)c2cc(C)n3nc(cc3n2)C(=O)Nc4cc(OC)c(Cl)cc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M21 compound treatment 0.366 0.016 1.0 0.362 0.012 1.0 -1.0 -1.0 1971849 ChemDiv1_003101 OC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(Cl)cc5)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M22 compound treatment 0.351 0.001 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971850 ChemDiv1_003102 COc1ccc(cc1)c2cc(n3nc(cc3n2)C(=O)Nc4ccc(cc4)C(=O)C)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 M24 positive control 0.087 -0.263 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N01 compound treatment 0.372 0.022 1.0 0.369 0.019 1.0 -1.0 -1.0 1971851 ChemDiv1_003103 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)NCc4cccs4)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N02 compound treatment 0.358 0.008 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971852 ChemDiv1_003104 FC(F)(F)c1ccccc1NC(=O)CSc2nc3ccccc3[nH]2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N03 compound treatment 0.346 -0.004 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971853 ChemDiv1_003105 FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCCCN3CCOCC3)c4ccc(Cl)c(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N04 compound treatment 0.364 0.014 1.0 0.373 0.023 1.0 -1.0 -1.0 1650975 ChemDiv1_003106 CCOc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)N)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N05 compound treatment 0.373 0.023 1.0 0.361 0.011 1.0 -1.0 -1.0 1971854 ChemDiv1_003107 COc1ccc(CNC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N06 compound treatment 0.366 0.016 1.0 0.362 0.012 1.0 -1.0 -1.0 1328501 ChemDiv1_003108 CCOc1ccc2nc(NC(=O)c3ccc4OCCOc4c3)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N07 compound treatment 0.381 0.031 1.0 0.366 0.016 1.0 -1.0 -1.0 1943244 ChemDiv1_003109 CN1CCN(CC1)C(=O)c2nn3c(cc(nc3c2Cl)c4ccc(Cl)cc4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N08 compound treatment 0.41 0.06 1.0 0.423 0.073 1.0 -1.0 -1.0 1382091 ChemDiv1_003110 COc1cc(OC)cc(c1)C(=O)Nc2ccc3oc(nc3c2)c4ccc(OC)c(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N09 compound treatment 0.339 -0.011 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971855 ChemDiv1_003111 COc1ccc(cc1OC)c2cc(n3nc(C(=O)N4CCCC4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N10 compound treatment 0.364 0.014 1.0 0.356 0.006 1.0 -1.0 -1.0 1945434 ChemDiv1_003112 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N11 compound treatment 0.427 0.077 1.0 0.422 0.072 1.0 -1.0 -1.0 1971856 ChemDiv1_003113 [O-][N+](=O)c1ccc(COc2ccc(Br)cc2/C=C/3\NC(=S)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N12 compound treatment 0.352 0.002 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1194306 ChemDiv1_003114 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2cccs2)C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N13 compound treatment 0.409 0.059 1.0 0.368 0.018 1.0 -1.0 -1.0 1204119 ChemDiv1_003115 COc1cc(cc(OC)c1OC)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N14 compound treatment 0.37 0.02 1.0 0.388 0.038 1.0 -1.0 -1.0 1971857 ChemDiv1_003116 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cccc(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N15 compound treatment 0.351 0.001 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1784056 ChemDiv1_003117 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])C(=O)Nc3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N16 compound treatment 0.351 0.001 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1137308 ChemDiv1_003118 CCOC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)n(C)c4cc(Br)c(OC)cc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N17 compound treatment 0.348 -0.002 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1864258 ChemDiv1_003119 COC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc4CC(C)CCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N18 compound treatment 0.357 0.007 1.0 0.35 0.0 -1.0 -1.0 -1.0 1566688 ChemDiv1_003120 C(Nc1nc(nc(n1)N2CCOCC2)N3CCOCC3)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N19 compound treatment 0.365 0.015 1.0 0.361 0.011 1.0 -1.0 -1.0 1646510 ChemDiv1_003121 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N20 compound treatment 0.351 0.001 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971858 ChemDiv1_003122 O=C1C2C(C3C2C4C=CC3C5C4C(=O)N(C5=O)c6ccccn6)C(=O)N1c7ccccn7 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N21 compound treatment 0.368 0.018 1.0 0.363 0.013 1.0 -1.0 -1.0 1971859 ChemDiv1_003123 COc1ccccc1C2CC(=NN2C(=O)C)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N22 compound treatment 0.344 -0.006 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971860 ChemDiv1_003124 COc1cc(cc(OC)c1OC)C2C(=C(N)Oc3c2c(C)nn3c4ccccc4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 N24 positive control 0.084 -0.266 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O01 compound treatment 0.351 0.001 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1616099 ChemDiv1_003125 CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3ccccc3F)c4ccccc4c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O02 compound treatment 0.34 -0.01 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971861 ChemDiv1_003126 COc1ccccc1NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccccc5)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O03 compound treatment 0.339 -0.011 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1944231 ChemDiv1_003127 COc1ccc(/C=C/c2nc3sc4CCCCc4c3c(=O)o2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O04 compound treatment 0.432 0.082 1.0 0.43 0.08 1.0 -1.0 -1.0 1971862 ChemDiv1_003128 COc1ccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccccc5)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O05 compound treatment 0.396 0.046 1.0 0.392 0.042 1.0 -1.0 -1.0 1209043 ChemDiv1_003129 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc4OCOc4cc3Br)C(=O)OCC5CCCO5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O06 compound treatment 0.371 0.021 1.0 0.375 0.025 1.0 -1.0 -1.0 1971863 ChemDiv1_003130 COC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc4OCOc4c3)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O07 compound treatment 0.467 0.117 1.0 0.427 0.077 1.0 -1.0 -1.0 1971864 ChemDiv1_003131 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccccc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O08 compound treatment 0.364 0.014 1.0 0.367 0.017 1.0 -1.0 -1.0 1971865 ChemDiv1_003132 CCOc1ccc(/N=C/2\SC(CC(=O)N2C)C(=O)Nc3ccc(cc3)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O09 compound treatment 0.424 0.074 1.0 0.484 0.134 1.0 -1.0 -1.0 1971866 ChemDiv1_003133 CCOc1cccc(NC(=O)C2CC(=O)N(Cc3ccc4OCOc4c3)/C(=N/c5ccc(OC)cc5)/S2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O10 compound treatment 0.343 -0.007 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971867 ChemDiv1_003134 [O-][N+](=O)c1ccc(cc1)C(=O)Oc2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O11 compound treatment 0.368 0.018 1.0 0.374 0.024 1.0 -1.0 -1.0 1971868 ChemDiv1_003135 CCOC(=O)c1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)NCCc3ccccc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O12 compound treatment 0.355 0.005 1.0 0.35 0.0 -1.0 -1.0 -1.0 1570697 ChemDiv1_003136 CCSc1nc2-c3ccccc3CC4(CCCC4)c2c(=O)n1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O13 compound treatment 0.389 0.039 1.0 0.381 0.031 1.0 -1.0 -1.0 1971869 ChemDiv1_003137 CCOC(=O)c1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc(OC)cc3)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O14 compound treatment 0.335 -0.015 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1186933 ChemDiv1_003138 CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O15 compound treatment 0.35 0.0 -1.0 0.351 0.001 1.0 -1.0 -1.0 1971870 ChemDiv1_003139 CCOc1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)Nc3cccc(OCC)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O16 compound treatment 0.343 -0.007 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971871 ChemDiv1_003140 CN(C)c1nc(nc(n1)N2CC(=O)N(C2=N)c3ccc(Cl)c(Cl)c3)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O17 compound treatment 0.352 0.002 1.0 0.35 0.0 -1.0 -1.0 -1.0 1971872 ChemDiv1_003141 CN/1C(=O)CC(S\C1=N\c2cccc(c2)C(F)(F)F)C(=O)Nc3cccc(Cl)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O18 compound treatment 0.346 -0.004 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971873 ChemDiv1_003142 COc1cc(NC(=O)Cn2nc(c(Br)c2C)C(F)(F)F)cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O19 compound treatment 0.367 0.017 1.0 0.371 0.021 1.0 -1.0 -1.0 1971874 ChemDiv1_003143 CCOc1ccc(/N=C\2/SC(CC(=O)N2CCc3ccc(OC)c(OC)c3)C(=O)O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O20 compound treatment 0.407 0.057 1.0 0.398 0.048 1.0 -1.0 -1.0 1971875 ChemDiv1_003144 COc1ccc(cc1OC)c2cc(n3nc(cc3n2)C(=O)NCc4ccco4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O21 compound treatment 0.326 -0.024 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1971876 ChemDiv1_003145 COc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3)/C(=N/c4ccc(F)cc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O22 compound treatment 0.344 -0.006 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971877 ChemDiv1_003146 COc1ccc(CNC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc(OC)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 O24 positive control 0.09 -0.26 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P01 compound treatment 0.355 0.005 1.0 0.353 0.003 1.0 -1.0 -1.0 1971878 ChemDiv1_003147 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P02 compound treatment 0.429 0.079 1.0 0.42 0.07 1.0 -1.0 -1.0 1516943 ChemDiv1_003148 COc1ccc2nc(NC(=O)CSc3nc4ccccc4[nH]3)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P03 compound treatment 0.372 0.022 1.0 0.364 0.014 1.0 -1.0 -1.0 1971879 ChemDiv1_003149 FC(F)(F)c1c2CCc3ccccc3-c2nc4cc(nn14)C(=O)NCCCn5ccnc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P04 compound treatment 0.39 0.04 1.0 0.388 0.038 1.0 -1.0 -1.0 1374030 ChemDiv1_003150 CCOc1ccc2nc(SCC(=O)Nc3cccc(c3)C(=O)O)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P05 compound treatment 0.418 0.068 1.0 0.425 0.075 1.0 -1.0 -1.0 1971880 ChemDiv1_003151 Cc1c(NC(=O)c2nn3c(cc(nc3c2Cl)c4ccco4)C(F)(F)F)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P06 compound treatment 0.468 0.118 1.0 0.484 0.134 1.0 -1.0 -1.0 1615130 ChemDiv1_003152 O=C(Nc1ccc2c(c1)oc3ccccc32)c4ccc5OCCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P07 compound treatment 0.389 0.039 1.0 0.382 0.032 1.0 -1.0 -1.0 1971881 ChemDiv1_003153 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCCN3CCOCC3)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P08 compound treatment 0.406 0.056 1.0 0.399 0.049 1.0 -1.0 -1.0 1971882 ChemDiv1_003154 OC(=O)c1ccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P09 compound treatment 0.375 0.025 1.0 0.37 0.02 1.0 -1.0 -1.0 1971883 ChemDiv1_003155 COc1ccc(cc1OC)c2cc(n3nc(C(=O)NCC4CCCO4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P10 compound treatment 0.413 0.063 1.0 0.451 0.101 1.0 -1.0 -1.0 1945432 ChemDiv1_003156 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P11 compound treatment 0.486 0.136 1.0 0.458 0.108 1.0 -1.0 -1.0 1971884 ChemDiv1_003157 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc5OCOc5c4)C(=O)OCCOc6ccccc6)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P12 compound treatment 0.39 0.04 1.0 0.377 0.027 1.0 -1.0 -1.0 1784060 ChemDiv1_003158 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P13 compound treatment 0.359 0.009 1.0 0.366 0.016 1.0 -1.0 -1.0 1593304 ChemDiv1_003159 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2F)C(=O)Nc3ccc(cc3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P14 compound treatment 0.425 0.075 1.0 0.414 0.064 1.0 -1.0 -1.0 1971885 ChemDiv1_003160 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)N(CC)CC)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P15 compound treatment 0.375 0.025 1.0 0.369 0.019 1.0 -1.0 -1.0 1971886 ChemDiv1_003161 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C2)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P16 compound treatment 0.324 -0.026 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1739355 ChemDiv1_003162 CCOC(=O)c1c(CSc2ccccc2)n(c3ccccc3)c4ccc(O)c(CN(C)C)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P17 compound treatment 0.387 0.037 1.0 0.38 0.03 1.0 -1.0 -1.0 1460769 ChemDiv1_003163 COC(=O)C1CCc2sc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c(C(=O)OC)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P18 compound treatment 0.364 0.014 1.0 0.359 0.009 1.0 -1.0 -1.0 1733388 ChemDiv1_003164 COc1ccc(Nc2nc(Cl)nc(NC3CCCC3)n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P19 compound treatment 0.383 0.033 1.0 0.372 0.022 1.0 -1.0 -1.0 1947343 ChemDiv1_003165 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P20 compound treatment 0.364 0.014 1.0 0.353 0.003 1.0 -1.0 -1.0 1946374 ChemDiv1_003166 CC1(C)Cc2c(CO1)sc3nc(oc(=O)c23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P21 compound treatment 0.4 0.05 1.0 0.392 0.042 1.0 -1.0 -1.0 1923870 ChemDiv1_003167 COc1ccccc1C2CC(=NN2C(=O)CCC(=O)O)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P22 compound treatment 0.346 -0.004 -1.0 0.351 0.001 1.0 -1.0 -1.0 1971887 ChemDiv1_003168 COc1ccc(OCCSc2nc3ccccc3n2CC(=O)N)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.595 P24 positive control 0.089 -0.261 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A01 compound treatment 0.361 0.011 1.0 0.365 0.015 1.0 -1.0 -1.0 1971888 ChemDiv1_003169 CN(C)c1ccc(cc1[N+](=O)[O-])C2CC(=NN2C(=O)c3ccc(F)cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A02 compound treatment 0.48 0.13 1.0 0.472 0.122 1.0 -1.0 -1.0 1971889 ChemDiv1_003170 Brc1ccc2NC(=O)/C(=C\3/S/C(=N\S(=O)(=O)c4ccccc4)/NC3=O)/c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A03 compound treatment 0.338 -0.012 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1320513 ChemDiv1_003171 COc1ccc(cc1)c2cc(C(=O)N3CCN(CC3)c4ccccc4OC)c5ccccc5n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A04 compound treatment 0.351 0.001 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971890 ChemDiv1_003172 O=c1c2ccccc2c(=O)c3c4[nH]c5ccccc5oc4cc(NCc6ccccc6)c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A05 compound treatment 0.345 -0.005 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1579877 ChemDiv1_003173 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3OC)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A06 compound treatment 0.343 -0.007 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971891 ChemDiv1_003174 COc1ccc2nc(Nc3nc(O)cc(n3)c4ccccc4)nc(C)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A07 compound treatment 0.337 -0.013 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1946104 ChemDiv1_003175 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc3ccc(cc3)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A08 compound treatment 0.34 -0.01 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1663451 ChemDiv1_003176 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A09 compound treatment 0.366 0.016 1.0 0.364 0.014 1.0 -1.0 -1.0 1971892 ChemDiv1_003177 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(cc3)C(C)(C)C)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A10 compound treatment 0.326 -0.024 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1571603 ChemDiv1_003178 CC1=C(C(NC(=O)N1)c2cccc(Oc3ccccc3)c2)C(=O)OCc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A11 compound treatment 0.375 0.025 1.0 0.37 0.02 1.0 -1.0 -1.0 1971893 ChemDiv1_003179 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(cc3)C(C)(C)C)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A12 compound treatment 0.347 -0.003 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1923306 ChemDiv1_003180 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A13 compound treatment 0.338 -0.012 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971894 ChemDiv1_003181 CCc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A14 compound treatment 0.314 -0.036 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1924022 ChemDiv1_003182 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A15 compound treatment 0.328 -0.022 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1945599 ChemDiv1_003183 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(C)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A16 compound treatment 0.34 -0.01 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971895 ChemDiv1_003184 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A17 compound treatment 0.335 -0.015 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1945867 ChemDiv1_003185 CCOC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(OC)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A18 compound treatment 0.319 -0.031 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1943173 ChemDiv1_003186 [O-][N+](=O)c1ccc(OCCOc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A19 compound treatment 0.334 -0.016 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1309298 ChemDiv1_003187 COc1ccc(cc1OC)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A20 compound treatment 0.319 -0.031 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971896 ChemDiv1_003188 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCSc3cccc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A21 compound treatment 0.34 -0.01 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1971897 ChemDiv1_003189 Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A22 compound treatment 0.343 -0.007 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971898 ChemDiv1_003190 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCSc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 A24 positive control 0.078 -0.272 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B01 compound treatment 0.36 0.01 1.0 0.373 0.023 1.0 -1.0 -1.0 1603156 ChemDiv1_003191 CC(=O)Nc1ccc(cc1)C(=O)CSc2nc(O)c3ccccc3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B02 compound treatment 0.35 0.0 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1491654 ChemDiv1_003192 COC(=O)c1ccc(Oc2nc(NC(C)C)nc(NC(C)C)n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B03 compound treatment 0.339 -0.011 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1260827 ChemDiv1_003193 Cc1ccc2nc(oc2c1)c3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B04 compound treatment 0.319 -0.031 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1164076 ChemDiv1_003194 OC(COc1ccccc1C(=O)Nc2ccccc2)CN3C(=O)c4ccccc4S3(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B05 compound treatment 0.328 -0.022 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971899 ChemDiv1_003195 COc1ccccc1OCCSc2nc3ccccc3n2CC(=O)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B06 compound treatment 0.321 -0.029 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971900 ChemDiv1_003196 CCN(CC)CCCNc1nc(nc2ccccc12)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B07 compound treatment 0.37 0.02 1.0 0.413 0.063 1.0 -1.0 -1.0 1971901 ChemDiv1_003197 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cccc(OC)c3OC)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B08 compound treatment 0.404 0.054 1.0 0.412 0.062 1.0 -1.0 -1.0 1547367 ChemDiv1_003198 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccccc4c3=O)C(=O)OCC5CCCO5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B09 compound treatment 0.355 0.005 1.0 0.373 0.023 1.0 -1.0 -1.0 1971902 ChemDiv1_003199 CCOc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OCCSCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B10 compound treatment 0.325 -0.025 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1971903 ChemDiv1_003200 Fc1ccc(cc1)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B11 compound treatment 0.333 -0.017 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1784075 ChemDiv1_003201 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])C(=O)Nc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B12 compound treatment 0.357 0.007 1.0 0.364 0.014 1.0 -1.0 -1.0 1624483 ChemDiv1_003202 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccccc4c3=O)C(=O)OCCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B13 compound treatment 0.336 -0.014 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971904 ChemDiv1_003203 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)Nc3cccc(c3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B14 compound treatment 0.324 -0.026 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1465862 ChemDiv1_003204 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4coc5ccc(Cl)cc5c4=O)C(=O)CC(C)(C)C3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B15 compound treatment 0.316 -0.034 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1255871 ChemDiv1_003205 COC(=O)CN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c2ccc(C)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B16 compound treatment 0.298 -0.052 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1419891 ChemDiv1_003206 CN1C2CCC1C=C(C2)N(CCc3c[nH]c4ccccc34)C(=O)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B17 compound treatment 0.338 -0.012 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1368941 ChemDiv1_003207 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(n2)n3nc(C)cc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B18 compound treatment 0.399 0.049 1.0 0.41 0.06 1.0 -1.0 -1.0 1971905 ChemDiv1_003208 COCCOC(=O)C1=C(C)NC2=C(C1c3coc4ccccc4c3=O)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B19 compound treatment 0.335 -0.015 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971906 ChemDiv1_003209 CC(C)Nc1nc(NC(C)C)nc(OCCOC(=O)c2ccccc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B20 compound treatment 0.322 -0.028 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1688615 ChemDiv1_003210 COc1ccc(cc1OC)C(=O)Nc2ccc3oc(nc3c2)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B21 compound treatment 0.334 -0.016 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971907 ChemDiv1_003211 CCOc1nc(SCCOc2ccc(C)cc2)nc(n1)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B22 compound treatment 0.375 0.025 1.0 0.37 0.02 1.0 -1.0 -1.0 1543048 ChemDiv1_003212 COc1cc(ccc1OC(=O)CNc2ccc3OCOc3c2)C4C5=C(CC(C)(C)CC5=O)OC6=C4C(=O)CC(C)(C)C6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 B24 positive control 0.096 -0.254 -1.0 0.076 -0.274 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C01 compound treatment 0.362 0.012 1.0 0.367 0.017 1.0 -1.0 -1.0 1971908 ChemDiv1_003213 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)c3ccc(F)cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C02 compound treatment 0.348 -0.002 -1.0 0.355 0.005 1.0 -1.0 -1.0 1572581 ChemDiv1_003214 Brc1ccc(NC(=O)CSC2=C(C#N)C3(CCC(CC3)c4ccccc4)C(C#N)C(=O)N2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C03 compound treatment 0.342 -0.008 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1946149 ChemDiv1_003215 COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccccc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C04 compound treatment 0.336 -0.014 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971909 ChemDiv1_003216 Clc1ccc2[nH]c3c(cc(NC4CCCCC4)c5c(=O)c6ccccc6c(=O)c35)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C05 compound treatment 0.434 0.084 1.0 0.419 0.069 1.0 -1.0 -1.0 1145067 ChemDiv1_003217 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)O)c(OC)c3)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C06 compound treatment 0.331 -0.019 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1574917 ChemDiv1_003218 COc1cc(cc(OC)c1OC)C(=O)N2C(C)CC(Nc3ccccc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C07 compound treatment 0.355 0.005 1.0 0.361 0.011 1.0 -1.0 -1.0 1946274 ChemDiv1_003219 COc1cc(/C=C/2\C(=O)NC(=O)N(C)C2=O)ccc1OCc3ccc(cc3)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C08 compound treatment 0.335 -0.015 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1675008 ChemDiv1_003220 CCOC(=O)c1c(C)c(sc1NC(=O)C2(CC3CC4CC(C3)C2)C4)C(=O)Nc5ccccc5F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C09 compound treatment 0.337 -0.013 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1945717 ChemDiv1_003221 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C10 compound treatment 0.332 -0.018 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1497488 ChemDiv1_003222 CC1=C(C(NC(=O)N1)c2cccc(Oc3ccccc3)c2)C(=O)OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C11 compound treatment 0.334 -0.016 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1946172 ChemDiv1_003223 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C12 compound treatment 0.337 -0.013 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971910 ChemDiv1_003224 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C13 compound treatment 0.334 -0.016 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1946427 ChemDiv1_003225 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(cc3)C(C)C)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C14 compound treatment 0.305 -0.045 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1971911 ChemDiv1_003226 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C15 compound treatment 0.338 -0.012 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971912 ChemDiv1_003227 CCc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)OC)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C16 compound treatment 0.338 -0.012 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971913 ChemDiv1_003228 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3cccc(C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C17 compound treatment 0.336 -0.014 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971914 ChemDiv1_003229 CCOC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(OC)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C18 compound treatment 0.325 -0.025 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1943237 ChemDiv1_003230 CN1C(=O)N(C)C(=O)C(=Cc2cccc(OCCOc3ccc(cc3)[N+](=O)[O-])c2)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C19 compound treatment 0.338 -0.012 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1157426 ChemDiv1_003231 COc1cc(cc(OC)c1OC)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C20 compound treatment 0.333 -0.017 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971915 ChemDiv1_003232 CCOC(=O)CSCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C21 compound treatment 0.337 -0.013 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1710015 ChemDiv1_003233 Cc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(cc3)C(C)(C)C)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C22 compound treatment 0.34 -0.01 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971916 ChemDiv1_003234 CCOC(=O)CSCCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 C24 positive control 0.08 -0.27 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D01 compound treatment 0.354 0.004 1.0 0.368 0.018 1.0 -1.0 -1.0 1971917 ChemDiv1_003235 COc1ccc(cc1OC)C(=O)CSc2nc(O)c3ccccc3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D02 compound treatment 0.337 -0.013 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1245752 ChemDiv1_003236 CCNc1nc(NCC)nc(Oc2ccc(cc2)C(=O)OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D03 compound treatment 0.34 -0.01 -1.0 0.359 0.009 1.0 -1.0 -1.0 1683341 ChemDiv1_003237 O=C(Nc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D04 compound treatment 0.369 0.019 1.0 0.379 0.029 1.0 -1.0 -1.0 1490278 ChemDiv1_003238 OC(CNS(=O)(=O)c1ccccc1C(=O)N2CCOCC2)COc3ccc(cc3)N4C(=O)C5CC=CCC5C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D05 compound treatment 0.328 -0.022 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971918 ChemDiv1_003239 COc1ccccc1OCCSc2nc3ccccc3n2CC(O)CO 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D06 compound treatment 0.327 -0.023 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1159575 ChemDiv1_003240 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2Cl)C(=O)Nc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D07 compound treatment 0.351 0.001 1.0 0.369 0.019 1.0 -1.0 -1.0 1441303 ChemDiv1_003241 CCCOC(=O)C1=C(C)NC2=C(C1c3ccc(O)c(OCC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D08 compound treatment 0.329 -0.021 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971919 ChemDiv1_003242 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OCCOc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D09 compound treatment 0.353 0.003 1.0 0.353 0.003 1.0 -1.0 -1.0 1193799 ChemDiv1_003243 COc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D10 compound treatment 0.316 -0.034 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971920 ChemDiv1_003244 [O-][N+](=O)c1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)COc4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D11 compound treatment 0.332 -0.018 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1384080 ChemDiv1_003245 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2Cl)C(=O)Nc3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D12 compound treatment 0.402 0.052 1.0 0.4 0.05 1.0 -1.0 -1.0 1971921 ChemDiv1_003246 CCSCCOC(=O)C1=C(C)NC2=C(C1c3coc4ccc(C)cc4c3=O)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D13 compound treatment 0.332 -0.018 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1783908 ChemDiv1_003247 COc1ccc(CCN2C(SCC2=O)c3ccc(cc3)[N+](=O)[O-])cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D14 compound treatment 0.367 0.017 1.0 0.381 0.031 1.0 -1.0 -1.0 1971922 ChemDiv1_003248 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccccc4c3=O)C(=O)OCCOc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D15 compound treatment 0.321 -0.029 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1142854 ChemDiv1_003249 CCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D16 compound treatment 0.303 -0.047 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1736301 ChemDiv1_003250 CN1C2CCC1CC(C2)N(CCc3c[nH]c4ccccc34)C(=O)c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D17 compound treatment 0.331 -0.019 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1163540 ChemDiv1_003251 COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D18 compound treatment 0.282 -0.068 -1.0 0.292 -0.058 -1.0 -1.0 -1.0 1971923 ChemDiv1_003252 CN1C(=C(C(NC1=O)c2cccc(c2)C(F)(F)F)C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D19 compound treatment 0.317 -0.033 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1971924 ChemDiv1_003253 CN(C)c1nc(SCCOC(=O)Nc2ccccc2)nc(n1)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D20 compound treatment 0.354 0.004 1.0 0.354 0.004 1.0 -1.0 -1.0 1682976 ChemDiv1_003254 COc1ccc(cc1OC)C(=O)Nc2ccc3oc(Cc4ccc(Cl)cc4)nc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D21 compound treatment 0.334 -0.016 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971925 ChemDiv1_003255 CCNc1nc(NCC)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D22 compound treatment 0.335 -0.015 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971926 ChemDiv1_003256 Cc1ccc(NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-])cc1c4nc5ncccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 D24 positive control 0.081 -0.269 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E01 compound treatment 0.36 0.01 1.0 0.354 0.004 1.0 -1.0 -1.0 1971927 ChemDiv1_003257 COc1ccc(cc1)C2CC(=NN2C(=O)c3ccc(F)cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E02 compound treatment 0.365 0.015 1.0 0.374 0.024 1.0 -1.0 -1.0 1530853 ChemDiv1_003258 Cc1ccc(o1)c2c(C#N)c(SCC(=O)c3ccc(O)c(O)c3)nc4CCCCc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E03 compound treatment 0.332 -0.018 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971928 ChemDiv1_003259 CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccccc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E04 compound treatment 0.327 -0.023 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971929 ChemDiv1_003260 Cc1cccc2oc3cc(Nc4ccccc4)c5c(=O)c6ccccc6c(=O)c5c3[nH]c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E05 compound treatment 0.333 -0.017 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971930 ChemDiv1_003261 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E06 compound treatment 0.334 -0.016 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971931 ChemDiv1_003262 CC1=CC(C)(C)N(C(=O)c2sc3ccccc3c2Cl)c4ccc(cc14)C(c5ccccc5)(c6ccccc6)c7ccccc7 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E07 compound treatment 0.334 -0.016 -1.0 0.353 0.003 1.0 -1.0 -1.0 1971932 ChemDiv1_003263 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3)ccc1OCc4ccc(cc4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E08 compound treatment 0.341 -0.009 -1.0 0.356 0.006 1.0 -1.0 -1.0 1784065 ChemDiv1_003264 [O-][N+](=O)c1cc2OCOc2cc1C3Nc4ccccc4NC5=C3C(=O)CC(C5)c6ccc(Cl)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E09 compound treatment 0.335 -0.015 -1.0 0.351 0.001 1.0 -1.0 -1.0 1951589 ChemDiv1_003265 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E10 compound treatment 0.395 0.045 1.0 0.417 0.067 1.0 -1.0 -1.0 1971933 ChemDiv1_003266 Oc1cc(Cl)c([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E11 compound treatment 0.348 -0.002 -1.0 0.354 0.004 1.0 -1.0 -1.0 1946198 ChemDiv1_003267 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E12 compound treatment 0.313 -0.037 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1971934 ChemDiv1_003268 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(C)c(C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E13 compound treatment 0.329 -0.021 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1945904 ChemDiv1_003269 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E14 compound treatment 0.327 -0.023 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971935 ChemDiv1_003270 COc1ccccc1OCCOc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E15 compound treatment 0.349 -0.001 -1.0 0.356 0.006 1.0 -1.0 -1.0 1945713 ChemDiv1_003271 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(cc3)C(C)C)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E16 compound treatment 0.336 -0.014 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971936 ChemDiv1_003272 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E17 compound treatment 0.336 -0.014 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971937 ChemDiv1_003273 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC#N)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E18 compound treatment 0.306 -0.044 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1923394 ChemDiv1_003274 [O-][N+](=O)c1ccc(OCCOc2ccccc2C=C3C(=O)NC(=O)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E19 compound treatment 0.338 -0.012 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1710855 ChemDiv1_003275 Cc1ccc(SCC(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E20 compound treatment 0.336 -0.014 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1926305 ChemDiv1_003276 CCOC(=O)CSCCOc1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E21 compound treatment 0.347 -0.003 -1.0 0.355 0.005 1.0 -1.0 -1.0 1971938 ChemDiv1_003277 Cc1ccc(cc1C)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(C)c(c3)[N+](=O)[O-])s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E22 compound treatment 0.335 -0.015 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971939 ChemDiv1_003278 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 E24 positive control 0.084 -0.266 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F01 compound treatment 0.333 -0.017 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1971940 ChemDiv1_003279 COc1ccccc1C2CC(=NN2CN3C(=O)C(=O)c4ccccc34)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F02 compound treatment 0.337 -0.013 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1371076 ChemDiv1_003280 COC(=O)c1ccc(Oc2nc(nc(n2)N(C)C)N(C)C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F03 compound treatment 0.374 0.024 1.0 0.37 0.02 1.0 -1.0 -1.0 1254407 ChemDiv1_003281 CCOc1cc(OCC)cc(c1)C(=O)Nc2ccc3oc(nc3c2)c4cccc(F)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F04 compound treatment 0.365 0.015 1.0 0.393 0.043 1.0 -1.0 -1.0 1971941 ChemDiv1_003282 CC(C)C1=CC23CCC4C(C)(CCCC4(C)C3CC1C5C2C(=O)N(C5=O)c6ccc(cc6)S(=O)(=O)N)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F05 compound treatment 0.355 0.005 1.0 0.359 0.009 1.0 -1.0 -1.0 1971942 ChemDiv1_003283 CC(C)(C)c1ccc(OCCSc2nc3ccccc3n2CC(=O)N)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F06 compound treatment 0.366 0.016 1.0 0.384 0.034 1.0 -1.0 -1.0 1391694 ChemDiv1_003284 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccccc4c3=O)C(=O)OCCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F07 compound treatment 0.38 0.03 1.0 0.375 0.025 1.0 -1.0 -1.0 1661399 ChemDiv1_003285 COC(=O)C1=C(C)NC2=C(C1c3ccc(OC(=O)C)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F08 compound treatment 0.391 0.041 1.0 0.396 0.046 1.0 -1.0 -1.0 1351519 ChemDiv1_003286 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccc(C)cc4c3=O)C(=O)OC5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F09 compound treatment 0.392 0.042 1.0 0.377 0.027 1.0 -1.0 -1.0 1367554 ChemDiv1_003287 COc1ccc(C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OC(C)C)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F10 compound treatment 0.327 -0.023 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971943 ChemDiv1_003288 [O-][N+](=O)c1cccc(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F11 compound treatment 0.39 0.04 1.0 0.392 0.042 1.0 -1.0 -1.0 1971944 ChemDiv1_003289 COc1cc(cc(OC)c1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)OCCOc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F12 compound treatment 0.377 0.027 1.0 0.384 0.034 1.0 -1.0 -1.0 1971945 ChemDiv1_003290 CCSCCOC(=O)C1=C(C)NC2=C(C1c3coc4ccccc4c3=O)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F13 compound treatment 0.334 -0.016 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971946 ChemDiv1_003291 CCNc1nc(NCC)nc(OCCNS(=O)(=O)c2ccc(C)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F14 compound treatment 0.344 -0.006 -1.0 0.354 0.004 1.0 -1.0 -1.0 1337077 ChemDiv1_003292 O=C(N1CCN(CC1)C(=O)c2cccc(c2)S(=O)(=O)N3CCCCC3)c4cccc(c4)S(=O)(=O)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F15 compound treatment 0.335 -0.015 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1220453 ChemDiv1_003293 CCNc1nc(NCC)nc(NS(=O)(=O)c2ccc(C)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F16 compound treatment 0.306 -0.044 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1313118 ChemDiv1_003294 CN1C2CCC1CC(C2)N(CCc3c[nH]c4ccccc34)C(=O)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F17 compound treatment 0.334 -0.016 -1.0 0.357 0.007 1.0 -1.0 -1.0 1971947 ChemDiv1_003295 COc1nc(nc(C)c1Br)N(C)S(=O)(=O)c2ccc(C)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F18 compound treatment 0.323 -0.027 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1677968 ChemDiv1_003296 CN1C(=C(C(NC1=O)c2ccc(Br)s2)C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F19 compound treatment 0.311 -0.039 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1971948 ChemDiv1_003297 CCNc1nc(NCC)nc(SCCOC(=O)Nc2ccccc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F20 compound treatment 0.317 -0.033 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1175787 ChemDiv1_003298 O=C(Nc1cccc(NC(=O)c2ccc3OCCOc3c2)c1)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F21 compound treatment 0.342 -0.008 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971949 ChemDiv1_003299 CCNc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F22 compound treatment 0.338 -0.012 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971950 ChemDiv1_003300 OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4cccc(O)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 F24 positive control 0.084 -0.266 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G01 compound treatment 0.4 0.05 1.0 0.421 0.071 1.0 -1.0 -1.0 1289023 ChemDiv1_003301 COc1ccc(cc1)c2cc(C(=O)NCc3ccc4OCOc4c3)c5ccccc5n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G02 compound treatment 0.34 -0.01 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971951 ChemDiv1_003302 COc1ccc(Nc2cc3sc4cc(C)ccc4[nH]c3c5c(=O)c6ccccc6c(=O)c25)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G03 compound treatment 0.338 -0.012 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1971952 ChemDiv1_003303 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3c(OC)ccc4ccccc34)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G04 compound treatment 0.335 -0.015 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1919523 ChemDiv1_003304 OC(=O)c1cc(cc(c1)N2C(=O)C3C4CC(C=C4)C3C2=O)N5C(=O)C6C7CC(C=C7)C6C5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G05 compound treatment 0.339 -0.011 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971953 ChemDiv1_003305 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G06 compound treatment 0.356 0.006 1.0 0.369 0.019 1.0 -1.0 -1.0 1783127 ChemDiv1_003306 [O-][N+](=O)c1ccc2c(Cl)c(sc2c1)C(=O)N3c4ccccc4CCc5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G07 compound treatment 0.331 -0.019 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1945993 ChemDiv1_003307 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(cc4)C(=O)O)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G08 compound treatment 0.351 0.001 1.0 0.371 0.021 1.0 -1.0 -1.0 1971954 ChemDiv1_003308 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(Br)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G09 compound treatment 0.337 -0.013 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1945817 ChemDiv1_003309 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G10 compound treatment 0.34 -0.01 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1971955 ChemDiv1_003310 Oc1cc(Cl)c([N+](=O)[O-])c2C3C=CCC3C(Nc12)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G11 compound treatment 0.344 -0.006 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1945942 ChemDiv1_003311 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Br)cc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G12 compound treatment 0.353 0.003 1.0 0.352 0.002 1.0 -1.0 -1.0 1971956 ChemDiv1_003312 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G13 compound treatment 0.331 -0.019 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1945907 ChemDiv1_003313 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G14 compound treatment 0.279 -0.071 -1.0 0.29 -0.06 -1.0 -1.0 -1.0 1971957 ChemDiv1_003314 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G15 compound treatment 0.335 -0.015 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1946078 ChemDiv1_003315 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G16 compound treatment 0.338 -0.012 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971958 ChemDiv1_003316 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G17 compound treatment 0.341 -0.009 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971959 ChemDiv1_003317 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC=C)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G18 compound treatment 0.279 -0.071 -1.0 0.293 -0.057 -1.0 -1.0 -1.0 1971960 ChemDiv1_003318 CN1C(=O)N(C)C(=O)C(=Cc2cc(Br)ccc2OCCOc3ccccc3)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G19 compound treatment 0.34 -0.01 -1.0 0.389 0.039 1.0 -1.0 -1.0 1171559 ChemDiv1_003319 Cc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)CSc3ccc(Cl)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G20 compound treatment 0.339 -0.011 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1946489 ChemDiv1_003320 CCOC(=O)CSCCOc1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3cccc(C)c3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G21 compound treatment 0.347 -0.003 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971961 ChemDiv1_003321 Brc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccco3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G22 compound treatment 0.341 -0.009 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1946403 ChemDiv1_003322 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 G24 positive control 0.086 -0.264 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H01 compound treatment 0.394 0.044 1.0 0.408 0.058 1.0 -1.0 -1.0 1971962 ChemDiv1_003323 COc1ccc(cc1)C2=NN(CN3C(=O)C(=O)c4ccccc34)C(C2)c5ccccc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H02 compound treatment 0.373 0.023 1.0 0.377 0.027 1.0 -1.0 -1.0 1579638 ChemDiv1_003324 CC1(C)NC(=O)N(CC(O)COc2ccc(cc2)N3C(=O)C4CC=CCC4C3=O)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H03 compound treatment 0.349 -0.001 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1410958 ChemDiv1_003325 COc1cc(ccc1OCc2ccc(Cl)cc2)C(=O)Nc3cc(ccc3C)c4nc5ccc(C)cc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H04 compound treatment 0.343 -0.007 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971963 ChemDiv1_003326 CCCCOC(=O)c1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H05 compound treatment 0.341 -0.009 -1.0 0.357 0.007 1.0 -1.0 -1.0 1784066 ChemDiv1_003327 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cccc(c4)[N+](=O)[O-])C(=O)OC5CCCC5)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H06 compound treatment 0.366 0.016 1.0 0.414 0.064 1.0 -1.0 -1.0 1408916 ChemDiv1_003328 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OCC5CCCO5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H07 compound treatment 0.359 0.009 1.0 0.367 0.017 1.0 -1.0 -1.0 1396747 ChemDiv1_003329 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4cc(Cl)c(O)c(OC)c4)C(=O)OC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H08 compound treatment 0.342 -0.008 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971964 ChemDiv1_003330 [O-][N+](=O)c1ccccc1C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H09 compound treatment 0.361 0.011 1.0 0.361 0.011 1.0 -1.0 -1.0 1682517 ChemDiv1_003331 CCOc1cc(cc(Cl)c1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCc4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H10 compound treatment 0.347 -0.003 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1971965 ChemDiv1_003332 Cc1cc(ccc1[N+](=O)[O-])C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H11 compound treatment 0.367 0.017 1.0 0.37 0.02 1.0 -1.0 -1.0 1971966 ChemDiv1_003333 COCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CC(C2)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H12 compound treatment 0.338 -0.012 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1590612 ChemDiv1_003334 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(Cl)cc2)C(=O)Nc3cccc(OC)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H13 compound treatment 0.332 -0.018 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1971967 ChemDiv1_003335 CCNc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2ccc(C)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H14 compound treatment 0.317 -0.033 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1215375 ChemDiv1_003336 CC1CCN(CC1)S(=O)(=O)c2cc(ccc2C)C(=O)Oc3cccc4cccnc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H15 compound treatment 0.324 -0.026 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1588087 ChemDiv1_003337 CCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(C)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H16 compound treatment 0.328 -0.022 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1248308 ChemDiv1_003338 COc1ccc(cc1OC)C2NCCc3c2[nH]c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H17 compound treatment 0.348 -0.002 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1971968 ChemDiv1_003339 CN(C)c1nc(OCCOC(=O)Nc2ccccc2)nc(n1)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H18 compound treatment 0.311 -0.039 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1971969 ChemDiv1_003340 CN1C(=C(C(NC1=O)c2ccc(cc2)C(F)(F)F)C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H19 compound treatment 0.339 -0.011 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971970 ChemDiv1_003341 CN(C)c1nc(SCCOC(=O)c2ccccc2)nc(n1)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H20 compound treatment 0.338 -0.012 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1601010 ChemDiv1_003342 O=C(Nc1ccc2nn(nc2c1)c3cccc4ccccc34)c5ccc6OCCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H21 compound treatment 0.319 -0.031 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1971971 ChemDiv1_003343 CC(C)Nc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H22 compound treatment 0.349 -0.001 -1.0 0.353 0.003 1.0 -1.0 -1.0 1136747 ChemDiv1_003344 Cn1c(=O)n(C)c2n(Cc3ccc(Cl)cc3Cl)c(SCC(=O)O)nc2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 H24 positive control 0.085 -0.265 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I01 compound treatment 0.384 0.034 1.0 0.389 0.039 1.0 -1.0 -1.0 1624173 ChemDiv1_003345 COc1cccc(c1)c2cc(C(=O)Nc3ccncc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I02 compound treatment 0.339 -0.011 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1971972 ChemDiv1_003346 CC(C)(C)c1ccc2[nH]c3c(cc(Nc4ccccc4)c5c(=O)c6ccccc6c(=O)c35)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I03 compound treatment 0.345 -0.005 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1971973 ChemDiv1_003347 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I04 compound treatment 0.358 0.008 1.0 0.352 0.002 1.0 -1.0 -1.0 1971974 ChemDiv1_003348 O=C1C2C3CC(C=C3)C2C(=O)N1c4cccc(Oc5ccc6C(=O)N(C(=O)c6c5)c7ccccc7)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I05 compound treatment 0.343 -0.007 -1.0 0.358 0.008 1.0 -1.0 -1.0 1971975 ChemDiv1_003349 Cc1ccc(cc1)N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I06 compound treatment 0.38 0.03 1.0 0.384 0.034 1.0 -1.0 -1.0 1971976 ChemDiv1_003350 CC1CC(N(C(=O)c2sc3cc(ccc3c2Cl)[N+](=O)[O-])c4ccccc4)c5ccccc5N1C(=O)Cc6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I07 compound treatment 0.356 0.006 1.0 0.359 0.009 1.0 -1.0 -1.0 1971977 ChemDiv1_003351 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3)ccc1OCc4ccc(cc4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I08 compound treatment 0.383 0.033 1.0 0.399 0.049 1.0 -1.0 -1.0 1587570 ChemDiv1_003352 CCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I09 compound treatment 0.333 -0.017 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1928313 ChemDiv1_003353 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I10 compound treatment 0.38 0.03 1.0 0.387 0.037 1.0 -1.0 -1.0 1126339 ChemDiv1_003354 OC(=O)c1cccc2C3C=CCC3C(Nc12)c4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I11 compound treatment 0.351 0.001 1.0 0.353 0.003 1.0 -1.0 -1.0 1951821 ChemDiv1_003355 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I12 compound treatment 0.332 -0.018 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971978 ChemDiv1_003356 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I13 compound treatment 0.348 -0.002 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1946266 ChemDiv1_003357 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I14 compound treatment 0.324 -0.026 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971979 ChemDiv1_003358 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc3ccccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I15 compound treatment 0.338 -0.012 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1971980 ChemDiv1_003359 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I16 compound treatment 0.328 -0.022 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1927744 ChemDiv1_003360 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I17 compound treatment 0.333 -0.017 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1946082 ChemDiv1_003361 Nc1ccc2nc(SCC(=O)NCCOc3ccc(Cl)cc3)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I18 compound treatment 0.316 -0.034 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1971981 ChemDiv1_003362 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2OCCOc3ccc(cc3)[N+](=O)[O-])C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I19 compound treatment 0.353 0.003 1.0 0.353 0.003 1.0 -1.0 -1.0 1971982 ChemDiv1_003363 Brc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)CN3CCOCC3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I20 compound treatment 0.342 -0.008 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971983 ChemDiv1_003364 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCBr 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I21 compound treatment 0.345 -0.005 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1531569 ChemDiv1_003365 Cc1ccc(cc1C)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(Br)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I22 compound treatment 0.352 0.002 1.0 0.351 0.001 1.0 -1.0 -1.0 1452631 ChemDiv1_003366 Cc1ccc(cc1)n2c(=O)c3c4CCCc4sc3[nH]c2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 I24 positive control 0.088 -0.262 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J01 compound treatment 0.434 0.084 1.0 0.428 0.078 1.0 -1.0 -1.0 1661937 ChemDiv1_003367 COc1ccc(cc1)C2CC(=NN2C(=O)C)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J02 compound treatment 0.335 -0.015 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1026994 ChemDiv1_003368 O=C1N(Cc2ccccc2)S(=O)(=O)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J03 compound treatment 0.332 -0.018 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1532122 ChemDiv1_003369 COc1cc(ccc1OCc2ccc(Cl)cc2)C(=O)Nc3ccc(O)c(c3)c4nc5cc(C)ccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J04 compound treatment 0.371 0.021 1.0 0.378 0.028 1.0 -1.0 -1.0 1692805 ChemDiv1_003370 NC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J05 compound treatment 0.379 0.029 1.0 0.399 0.049 1.0 -1.0 -1.0 1971984 ChemDiv1_003371 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)N(C)C)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J06 compound treatment 0.395 0.045 1.0 0.4 0.05 1.0 -1.0 -1.0 1658192 ChemDiv1_003372 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4coc5ccccc5c4=O)C(=O)CCC3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J07 compound treatment 0.355 0.005 1.0 0.358 0.008 1.0 -1.0 -1.0 1971985 ChemDiv1_003373 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cccc(c3)[N+](=O)[O-])C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J08 compound treatment 0.336 -0.014 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1971986 ChemDiv1_003374 [O-][N+](=O)c1ccc(cc1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J09 compound treatment 0.377 0.027 1.0 0.385 0.035 1.0 -1.0 -1.0 1575886 ChemDiv1_003375 COc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C(=O)OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J10 compound treatment 0.371 0.021 1.0 0.377 0.027 1.0 -1.0 -1.0 1265001 ChemDiv1_003376 O=C(N1CCN(Cc2ccccc2)CC1)c3cc(nc4ccccc34)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J11 compound treatment 0.38 0.03 1.0 0.365 0.015 1.0 -1.0 -1.0 1580220 ChemDiv1_003377 COc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccccc4)C(=O)OCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J12 compound treatment 0.356 0.006 1.0 0.376 0.026 1.0 -1.0 -1.0 1630930 ChemDiv1_003378 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3NC2c4coc5c(Cl)cc(Cl)cc5c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J13 compound treatment 0.335 -0.015 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971987 ChemDiv1_003379 CC(C)Nc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2ccc(C)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J14 compound treatment 0.353 0.003 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1396540 ChemDiv1_003380 CCOC(=O)c1sc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCCCCC3)c(C(=O)OCC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J15 compound treatment 0.345 -0.005 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1459151 ChemDiv1_003381 COc1nc(NS(=O)(=O)c2ccc(NC(=O)C)cc2)nc(C)c1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J16 compound treatment 0.328 -0.022 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1506608 ChemDiv1_003382 COc1ccc(cc1)C2NCCc3c2[nH]c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J17 compound treatment 0.339 -0.011 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1971988 ChemDiv1_003383 CCNc1nc(NCC)nc(OCCOC(=O)Nc2ccccc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J18 compound treatment 0.375 0.025 1.0 0.378 0.028 1.0 -1.0 -1.0 1521396 ChemDiv1_003384 CCOc1cc(cc(Cl)c1O)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J19 compound treatment 0.334 -0.016 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1971989 ChemDiv1_003385 CCNc1nc(NCC)nc(SCCOC(=O)c2ccccc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J20 compound treatment 0.382 0.032 1.0 0.377 0.027 1.0 -1.0 -1.0 1714049 ChemDiv1_003386 CCOc1cc(ccc1OCc2ccc(F)cc2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J21 compound treatment 0.321 -0.029 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1327959 ChemDiv1_003387 COc1nc(nc(C)c1Cl)N(CC=C)S(=O)(=O)c2ccc(C)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J22 compound treatment 0.357 0.007 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1971990 ChemDiv1_003388 CC/1=NN(C(=O)\C1=C\c2ccc(o2)c3ccc4COC(=O)c4c3)c5ccc(Cl)c(Cl)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 J24 positive control 0.086 -0.264 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K01 compound treatment 0.355 0.005 1.0 0.365 0.015 1.0 -1.0 -1.0 1939971 ChemDiv1_003389 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K02 compound treatment 0.334 -0.016 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1971991 ChemDiv1_003390 Cc1ccc(Nc2cc3oc4cc(ccc4[nH]c3c5c(=O)c6ccccc6c(=O)c25)C(C)(C)C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K03 compound treatment 0.338 -0.012 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1946111 ChemDiv1_003391 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(o3)c4ccc(cc4)C(=O)O)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K04 compound treatment 0.343 -0.007 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1538577 ChemDiv1_003392 CCOC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K05 compound treatment 0.341 -0.009 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971992 ChemDiv1_003393 COc1ccc(cc1)N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K06 compound treatment 0.355 0.005 1.0 0.362 0.012 1.0 -1.0 -1.0 1971993 ChemDiv1_003394 Cc1ccc(cc1)C2(C)CC(C)(C)N(C(=O)c3sc4cc(ccc4c3Cl)[N+](=O)[O-])c5ccccc52 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K07 compound treatment 0.364 0.014 1.0 0.368 0.018 1.0 -1.0 -1.0 1971994 ChemDiv1_003395 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)ccc1OCc4ccc(cc4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K08 compound treatment 0.412 0.062 1.0 0.41 0.06 1.0 -1.0 -1.0 1971995 ChemDiv1_003396 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cccc4ccccc34)C(=O)CC(C2)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K09 compound treatment 0.353 0.003 1.0 0.351 0.001 1.0 -1.0 -1.0 1971996 ChemDiv1_003397 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(C)cc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K10 compound treatment 0.434 0.084 1.0 0.384 0.034 1.0 -1.0 -1.0 1124004 ChemDiv1_003398 OC(=O)c1cc2C3C=CCC3CN4C(C5CC=CC5c(c1)c42)c6ccccc6F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K11 compound treatment 0.347 -0.003 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1971997 ChemDiv1_003399 CCOc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K12 compound treatment 0.344 -0.006 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1971998 ChemDiv1_003400 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K13 compound treatment 0.357 0.007 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1946027 ChemDiv1_003401 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(OC)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K14 compound treatment 0.339 -0.011 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1927017 ChemDiv1_003402 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K15 compound treatment 0.351 0.001 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1946141 ChemDiv1_003403 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Br)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K16 compound treatment 0.349 -0.001 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1971999 ChemDiv1_003404 COc1ccccc1OCCOc2c(Cl)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K17 compound treatment 0.396 0.046 1.0 0.382 0.032 1.0 -1.0 -1.0 1933204 ChemDiv1_003405 CCOc1ccc2nc(SCc3c[nH]c4cc(ccc34)[N+](=O)[O-])sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K18 compound treatment 0.332 -0.018 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972000 ChemDiv1_003406 [O-][N+](=O)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K19 compound treatment 0.341 -0.009 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972001 ChemDiv1_003407 Brc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3cccs3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K20 compound treatment 0.344 -0.006 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972002 ChemDiv1_003408 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCBr 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K21 compound treatment 0.343 -0.007 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972003 ChemDiv1_003409 Cc1ccc(cc1C)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(cc3)[N+](=O)[O-])s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K22 compound treatment 0.35 0.0 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1933479 ChemDiv1_003410 CCn1c(SCC(=O)c2ccccc2)nc3sc4COC(C)(C)Cc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 K24 positive control 0.088 -0.262 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L01 compound treatment 0.451 0.101 1.0 0.466 0.116 1.0 -1.0 -1.0 1610231 ChemDiv1_003411 OC(=O)CCC(=O)N1N=C(CC1c2cn(nc2c3ccccc3)c4ccccc4)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L02 compound treatment 0.331 -0.019 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1182586 ChemDiv1_003412 NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L03 compound treatment 0.351 0.001 1.0 0.374 0.024 1.0 -1.0 -1.0 1339606 ChemDiv1_003413 COc1cc(OC)cc(c1)C(=O)Nc2ccc3oc(nc3c2)c4ccc(OC)c(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L04 compound treatment 0.345 -0.005 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1949633 ChemDiv1_003414 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc3cc(Br)ccc3oc2=O)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L05 compound treatment 0.375 0.025 1.0 0.364 0.014 1.0 -1.0 -1.0 1356931 ChemDiv1_003415 CCCOC(=O)C1=C(C)NC2=C(C1c3cc(Br)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L06 compound treatment 0.378 0.028 1.0 0.379 0.029 1.0 -1.0 -1.0 1222926 ChemDiv1_003416 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccccc4c3=O)C(=O)OCC5CCCO5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L07 compound treatment 0.382 0.032 1.0 0.402 0.052 1.0 -1.0 -1.0 1140644 ChemDiv1_003417 CCOc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L08 compound treatment 0.355 0.005 1.0 0.355 0.005 1.0 -1.0 -1.0 1700704 ChemDiv1_003418 Cc1nc2ccccc2c(=O)n1NC(=O)c3cc(nc4ccccc34)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L09 compound treatment 0.366 0.016 1.0 0.384 0.034 1.0 -1.0 -1.0 1374217 ChemDiv1_003419 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccc(O)c(OC)c4)C(=O)OCC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L10 compound treatment 0.374 0.024 1.0 0.357 0.007 1.0 -1.0 -1.0 1972004 ChemDiv1_003420 CC(=O)c1sc(nc1C)N2N=C(CC2c3ccc(F)cc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L11 compound treatment 0.361 0.011 1.0 0.367 0.017 1.0 -1.0 -1.0 1349609 ChemDiv1_003421 CCCOc1ccc(cc1)C2NC(=O)NC(=C2C(=O)OCc3ccc(OC)cc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L12 compound treatment 0.381 0.031 1.0 0.364 0.014 1.0 -1.0 -1.0 1972005 ChemDiv1_003422 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OCCOc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L13 compound treatment 0.365 0.015 1.0 0.352 0.002 1.0 -1.0 -1.0 1621369 ChemDiv1_003423 Cc1cc(C)nc(n1)N(CN2C(=O)c3ccccc3S2(=O)=O)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L14 compound treatment 0.353 0.003 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1422482 ChemDiv1_003424 Nc1nc(CSc2nc(N)c3nc[nH]c3n2)cs1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L15 compound treatment 0.364 0.014 1.0 0.359 0.009 1.0 -1.0 -1.0 1481333 ChemDiv1_003425 Cc1cc(C)n(n1)c2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L16 compound treatment 0.356 0.006 1.0 0.352 0.002 1.0 -1.0 -1.0 1558798 ChemDiv1_003426 CCOc1cc(cc(Cl)c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L17 compound treatment 0.37 0.02 1.0 0.371 0.021 1.0 -1.0 -1.0 1972006 ChemDiv1_003427 CN(C)c1nc(OCCOC(=O)c2ccccc2)nc(n1)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L18 compound treatment 0.374 0.024 1.0 0.368 0.018 1.0 -1.0 -1.0 1406508 ChemDiv1_003428 COc1cc(cc(OC)c1OC)C(=O)N2N=C(CC2c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L19 compound treatment 0.321 -0.029 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1972007 ChemDiv1_003429 CCNc1nc(NC(C)C)nc(SCCOc2ccccc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L20 compound treatment 0.386 0.036 1.0 0.373 0.023 1.0 -1.0 -1.0 1972008 ChemDiv1_003430 CCOC(=O)c1ccc(Nc2nc3nonc3nc2N4CCC(Cc5ccccc5)CC4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L21 compound treatment 0.316 -0.034 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1300331 ChemDiv1_003431 COc1nc(nc(C)c1Br)N(CC=C)S(=O)(=O)c2ccc(C)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L22 compound treatment 0.351 0.001 1.0 0.351 0.001 1.0 -1.0 -1.0 1972009 ChemDiv1_003432 CC/1=NN(C(=O)\C1=C\c2ccc(o2)c3ccc4COC(=O)c4c3)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 L24 positive control 0.088 -0.262 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M01 compound treatment 0.455 0.105 1.0 0.473 0.123 1.0 -1.0 -1.0 1705941 ChemDiv1_003433 Cc1ccc(o1)c2cc(C(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)c5ccccc5n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M02 compound treatment 0.335 -0.015 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972010 ChemDiv1_003434 CC(C)(C)c1ccc2[nH]c3c(cc(NC4CCCCC4)c5c(=O)c6ccccc6c(=O)c35)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M03 compound treatment 0.328 -0.022 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972011 ChemDiv1_003435 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OC)c3OC)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M04 compound treatment 0.324 -0.026 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1530636 ChemDiv1_003436 CC1CC(Nc2ccc(C)cc2)c3cccc(C)c3N1C(=O)c4ccccc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M05 compound treatment 0.372 0.022 1.0 0.376 0.026 1.0 -1.0 -1.0 1972012 ChemDiv1_003437 CCOc1ccc(cc1)N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M06 compound treatment 0.326 -0.024 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1523741 ChemDiv1_003438 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)Nc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M07 compound treatment 0.353 0.003 1.0 0.372 0.022 1.0 -1.0 -1.0 1972013 ChemDiv1_003439 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCc4ccc(cc4)C(=O)O)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M08 compound treatment 0.407 0.057 1.0 0.4 0.05 1.0 -1.0 -1.0 1161372 ChemDiv1_003440 COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=C(C3c4ccncc4)C(=O)OCCc5ccccc5)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M09 compound treatment 0.367 0.017 1.0 0.377 0.027 1.0 -1.0 -1.0 1945768 ChemDiv1_003441 CCc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M10 compound treatment 0.384 0.034 1.0 0.374 0.024 1.0 -1.0 -1.0 1736489 ChemDiv1_003442 CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M11 compound treatment 0.335 -0.015 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972014 ChemDiv1_003443 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M12 compound treatment 0.324 -0.026 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972015 ChemDiv1_003444 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc3cccc(C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M13 compound treatment 0.35 0.0 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972016 ChemDiv1_003445 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M14 compound treatment 0.348 -0.002 -1.0 0.357 0.007 1.0 -1.0 -1.0 1943089 ChemDiv1_003446 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M15 compound treatment 0.363 0.013 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1946074 ChemDiv1_003447 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(OC)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M16 compound treatment 0.345 -0.005 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972017 ChemDiv1_003448 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M17 compound treatment 0.374 0.024 1.0 0.366 0.016 1.0 -1.0 -1.0 1413611 ChemDiv1_003449 COc1ccc(cc1OC)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M18 compound treatment 0.326 -0.024 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1923260 ChemDiv1_003450 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M19 compound treatment 0.341 -0.009 -1.0 0.358 0.008 1.0 -1.0 -1.0 1783241 ChemDiv1_003451 Cc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(C)c(c3)[N+](=O)[O-])s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M20 compound treatment 0.335 -0.015 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1943259 ChemDiv1_003452 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M21 compound treatment 0.354 0.004 1.0 0.357 0.007 1.0 -1.0 -1.0 1356589 ChemDiv1_003453 COc1cccc(c1)C(=O)Nc2nnc(CCS(=O)(=O)c3cc(Cl)ccc3Cl)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M22 compound treatment 0.334 -0.016 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972018 ChemDiv1_003454 CC1(C)Cc2c(CO1)sc3nc(SCC#N)n(c4ccccc4)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 M24 positive control 0.09 -0.26 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N01 compound treatment 0.357 0.007 1.0 0.368 0.018 1.0 -1.0 -1.0 1972019 ChemDiv1_003455 COc1ccc(cc1OC)C2CC(=NN2C(=O)C)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N02 compound treatment 0.321 -0.029 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1710765 ChemDiv1_003456 OC(COc1ccc2ccccc2c1)CN3C(=O)c4ccccc4S3(=O)=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N03 compound treatment 0.325 -0.025 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972020 ChemDiv1_003457 COc1cc(cc(OC)c1OC)C(=O)OCCCNC2=NS(=O)(=O)c3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N04 compound treatment 0.341 -0.009 -1.0 0.363 0.013 1.0 -1.0 -1.0 1972021 ChemDiv1_003458 CCOCCOC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N05 compound treatment 0.356 0.006 1.0 0.373 0.023 1.0 -1.0 -1.0 1784068 ChemDiv1_003459 CCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3[N+](=O)[O-])C(=O)CC(C2)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N06 compound treatment 0.347 -0.003 -1.0 0.351 0.001 1.0 -1.0 -1.0 1415476 ChemDiv1_003460 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OCCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N07 compound treatment 0.396 0.046 1.0 0.402 0.052 1.0 -1.0 -1.0 1972022 ChemDiv1_003461 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3[N+](=O)[O-])C(=O)CC(C2)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N08 compound treatment 0.341 -0.009 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1430680 ChemDiv1_003462 COc1ccc(cc1Br)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N09 compound treatment 0.371 0.021 1.0 0.364 0.014 1.0 -1.0 -1.0 1972023 ChemDiv1_003463 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cccc(O)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N10 compound treatment 0.412 0.062 1.0 0.441 0.091 1.0 -1.0 -1.0 1972024 ChemDiv1_003464 CCCCc1c(C#N)c(N)nc2sc(C(=O)c3ccc(cc3)[N+](=O)[O-])c(N)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N11 compound treatment 0.357 0.007 1.0 0.356 0.006 1.0 -1.0 -1.0 1242152 ChemDiv1_003465 CC1=C(C(NC(=O)N1)c2ccc(OCc3ccccc3)cc2)C(=O)OCC4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N12 compound treatment 0.399 0.049 1.0 0.409 0.059 1.0 -1.0 -1.0 1242806 ChemDiv1_003466 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OCC5CCCO5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N13 compound treatment 0.351 0.001 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972025 ChemDiv1_003467 Cc1cc(C)n(n1)c2cc(C)nc(N)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N14 compound treatment 0.348 -0.002 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1925786 ChemDiv1_003468 Cc1nnc(SCC(=O)OCN2C(=O)c3ccccc3C2=O)[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N15 compound treatment 0.355 0.005 1.0 0.357 0.007 1.0 -1.0 -1.0 1354691 ChemDiv1_003469 Cc1cc(C)n(n1)c2cc(C)nc(NS(=O)(=O)c3ccccc3)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N16 compound treatment 0.417 0.067 1.0 0.405 0.055 1.0 -1.0 -1.0 1947478 ChemDiv1_003470 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Br)ccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N17 compound treatment 0.33 -0.02 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972026 ChemDiv1_003471 CCNc1nc(NCC)nc(OCCOC(=O)c2ccccc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N18 compound treatment 0.345 -0.005 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972027 ChemDiv1_003472 COc1ccc(cc1)C2CC(=NN2C(=O)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N19 compound treatment 0.346 -0.004 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972028 ChemDiv1_003473 CCOc1nc(SCCOc2ccccc2)nc(n1)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N20 compound treatment 0.355 0.005 1.0 0.385 0.035 1.0 -1.0 -1.0 1951367 ChemDiv1_003474 CCOc1c(Br)cc(cc1OC)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N21 compound treatment 0.332 -0.018 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1590736 ChemDiv1_003475 COc1cc(C)nc(n1)N(Cc2ccccc2)S(=O)(=O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N22 compound treatment 0.324 -0.026 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972029 ChemDiv1_003476 CC/1=NN(C(=O)\C1=C\c2ccc(o2)c3ccc4COC(=O)c4c3)c5cccc(Br)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 N24 positive control 0.09 -0.26 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O01 compound treatment 0.335 -0.015 -1.0 0.359 0.009 1.0 -1.0 -1.0 1706680 ChemDiv1_003477 Cc1cc(NC(=O)c2cc(nc3ccccc23)c4ccc(Br)cc4)no1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O02 compound treatment 0.343 -0.007 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972030 ChemDiv1_003478 Cc1ccc(Nc2cc3oc4cc(C)ccc4[nH]c3c5c(=O)c6ccccc6c(=O)c25)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O03 compound treatment 0.334 -0.016 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972031 ChemDiv1_003479 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O04 compound treatment 0.38 0.03 1.0 0.397 0.047 1.0 -1.0 -1.0 1202017 ChemDiv1_003480 COc1ccc2c(C)nc(Nc3nc(O)cc(n3)c4ccccc4)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O05 compound treatment 0.393 0.043 1.0 0.43 0.08 1.0 -1.0 -1.0 1972032 ChemDiv1_003481 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O06 compound treatment 0.33 -0.02 -1.0 0.352 0.002 1.0 -1.0 -1.0 1972033 ChemDiv1_003482 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)Nc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O07 compound treatment 0.339 -0.011 -1.0 0.358 0.008 1.0 -1.0 -1.0 1928207 ChemDiv1_003483 CCc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O08 compound treatment 0.392 0.042 1.0 0.401 0.051 1.0 -1.0 -1.0 1972034 ChemDiv1_003484 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(Cl)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O09 compound treatment 0.358 0.008 1.0 0.372 0.022 1.0 -1.0 -1.0 1972035 ChemDiv1_003485 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(cc3)C(C)C)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O10 compound treatment 0.332 -0.018 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1673480 ChemDiv1_003486 CN(C)CCn1c(NC(=O)c2ccc(Cl)cc2)nc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O11 compound treatment 0.332 -0.018 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1945589 ChemDiv1_003487 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O12 compound treatment 0.341 -0.009 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972036 ChemDiv1_003488 COc1ccccc1OCCOc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O13 compound treatment 0.365 0.015 1.0 0.361 0.011 1.0 -1.0 -1.0 1972037 ChemDiv1_003489 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O14 compound treatment 0.35 0.0 -1.0 0.361 0.011 1.0 -1.0 -1.0 1972038 ChemDiv1_003490 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O15 compound treatment 0.364 0.014 1.0 0.369 0.019 1.0 -1.0 -1.0 1972039 ChemDiv1_003491 CCOc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OCC(=O)OC)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O16 compound treatment 0.348 -0.002 -1.0 0.356 0.006 1.0 -1.0 -1.0 1972040 ChemDiv1_003492 COc1ccccc1OCCOc2c(Br)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O17 compound treatment 0.363 0.013 1.0 0.359 0.009 1.0 -1.0 -1.0 1487104 ChemDiv1_003493 COc1ccc(cc1OC)C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(C)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O18 compound treatment 0.397 0.047 1.0 0.389 0.039 1.0 -1.0 -1.0 1972041 ChemDiv1_003494 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O19 compound treatment 0.364 0.014 1.0 0.365 0.015 1.0 -1.0 -1.0 1783242 ChemDiv1_003495 Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Cl)cc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O20 compound treatment 0.353 0.003 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1926411 ChemDiv1_003496 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O21 compound treatment 0.472 0.122 1.0 0.471 0.121 1.0 -1.0 -1.0 1972042 ChemDiv1_003497 O=C/1N\C(=N\S(=O)(=O)c2ccccc2)\S\C1=C/c3ccc4OCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O22 compound treatment 0.358 0.008 1.0 0.358 0.008 1.0 -1.0 -1.0 1932970 ChemDiv1_003498 COC(=O)CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 O24 positive control 0.093 -0.257 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P01 compound treatment 0.362 0.012 1.0 0.378 0.028 1.0 -1.0 -1.0 1540792 ChemDiv1_003499 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P02 compound treatment 0.342 -0.008 -1.0 0.356 0.006 1.0 -1.0 -1.0 1443933 ChemDiv1_003500 COC(=O)c1ccc(OCC(O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P03 compound treatment 0.334 -0.016 -1.0 0.365 0.015 1.0 -1.0 -1.0 1972043 ChemDiv1_003501 COc1ccc(cc1)C(=O)OCCCN(C2=NS(=O)(=O)c3ccccc23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P04 compound treatment 0.365 0.015 1.0 0.373 0.023 1.0 -1.0 -1.0 1605288 ChemDiv1_003502 CCOC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc4CCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P05 compound treatment 0.383 0.033 1.0 0.391 0.041 1.0 -1.0 -1.0 1151055 ChemDiv1_003503 COC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(Br)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P06 compound treatment 0.405 0.055 1.0 0.426 0.076 1.0 -1.0 -1.0 1381848 ChemDiv1_003504 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4coc5ccccc5c4=O)C(=O)CC(C)(C)C3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P07 compound treatment 0.407 0.057 1.0 0.404 0.054 1.0 -1.0 -1.0 1972044 ChemDiv1_003505 CCOCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(OC)c3)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P08 compound treatment 0.432 0.082 1.0 0.422 0.072 1.0 -1.0 -1.0 1972045 ChemDiv1_003506 [O-][N+](=O)c1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P09 compound treatment 0.409 0.059 1.0 0.412 0.062 1.0 -1.0 -1.0 1467938 ChemDiv1_003507 CCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3OC)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P10 compound treatment 0.382 0.032 1.0 0.39 0.04 1.0 -1.0 -1.0 1611605 ChemDiv1_003508 COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c3cccc(Oc4ccccc4)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P11 compound treatment 0.368 0.018 1.0 0.375 0.025 1.0 -1.0 -1.0 1972046 ChemDiv1_003509 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2F)C(=O)Nc3cccc(c3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P12 compound treatment 0.387 0.037 1.0 0.373 0.023 1.0 -1.0 -1.0 1686944 ChemDiv1_003510 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2Cl)C(=O)Nc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P13 compound treatment 0.36 0.01 1.0 0.369 0.019 1.0 -1.0 -1.0 1736462 ChemDiv1_003511 COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c2ccc(C)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P14 compound treatment 0.38 0.03 1.0 0.379 0.029 1.0 -1.0 -1.0 1972047 ChemDiv1_003512 O=C(CSc1ncn[nH]1)NC2CCCCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P15 compound treatment 0.417 0.067 1.0 0.385 0.035 1.0 -1.0 -1.0 1278413 ChemDiv1_003513 Cc1cc(C)n(n1)c2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P16 compound treatment 0.38 0.03 1.0 0.381 0.031 1.0 -1.0 -1.0 1972048 ChemDiv1_003514 CC(C)OCCOC(=O)C1=C(C)NC2=C(C1c3coc4ccccc4c3=O)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P17 compound treatment 0.365 0.015 1.0 0.363 0.013 1.0 -1.0 -1.0 1972049 ChemDiv1_003515 CCNc1nc(NC(C)C)nc(OCCOC(=O)c2ccccc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P18 compound treatment 0.369 0.019 1.0 0.364 0.014 1.0 -1.0 -1.0 1124611 ChemDiv1_003516 O=C(N1N=C(CC1c2ccc3OCOc3c2)c4ccccc4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P19 compound treatment 0.338 -0.012 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972050 ChemDiv1_003517 CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P20 compound treatment 0.342 -0.008 -1.0 0.36 0.01 1.0 -1.0 -1.0 1157509 ChemDiv1_003518 CCOC(=O)C1=C(C)NC(=O)NC1c2cc(Br)c(OCc3ccccc3)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P21 compound treatment 0.356 0.006 1.0 0.358 0.008 1.0 -1.0 -1.0 1568401 ChemDiv1_003519 COc1cc(C)nc(n1)N(Cc2ccccc2)S(=O)(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P22 compound treatment 0.352 0.002 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972051 ChemDiv1_003520 COc1cc(/C=C/2\C(=NN(C2=O)c3ccc(F)cc3)C)ccc1OCc4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.596 P24 positive control 0.096 -0.254 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A01 compound treatment 0.364 0.014 1.0 0.369 0.019 1.0 -1.0 -1.0 1972052 ChemDiv1_003521 COC(=O)c1cccc(c1)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A02 compound treatment 0.511 0.161 1.0 0.508 0.158 1.0 -1.0 -1.0 1972053 ChemDiv1_003522 OCCN1CCN(CC1)c2ccc(cc2n3nc(c4ccccc4)c5ccccc5c3=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A03 compound treatment 0.335 -0.015 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972054 ChemDiv1_003523 [O-][N+](=O)c1cccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A04 compound treatment 0.361 0.011 1.0 0.353 0.003 1.0 -1.0 -1.0 1972055 ChemDiv1_003524 CN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(cc4)C(C)(C)C)c(oc23)C(F)(F)F)CC1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A05 compound treatment 0.345 -0.005 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972056 ChemDiv1_003525 CC1CCC2C(C1)C(=O)N(C2=O)c3cc(Cl)ccc3O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A06 compound treatment 0.347 -0.003 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1141663 ChemDiv1_003526 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2)C(=O)Nc3ccc4OCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A07 compound treatment 0.343 -0.007 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972057 ChemDiv1_003527 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(s4)[N+](=O)[O-])C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A08 compound treatment 0.342 -0.008 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972058 ChemDiv1_003528 [O-][N+](=O)c1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A09 compound treatment 0.358 0.008 1.0 0.352 0.002 1.0 -1.0 -1.0 1360827 ChemDiv1_003529 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4cccnc4)C(=O)Cc5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A10 compound treatment 0.363 0.013 1.0 0.357 0.007 1.0 -1.0 -1.0 1407185 ChemDiv1_003530 COc1cc(cc(OC)c1OC)C(=O)Nn2c(nc3ccccc3c2=O)c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A11 compound treatment 0.367 0.017 1.0 0.351 0.001 1.0 -1.0 -1.0 1972059 ChemDiv1_003531 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(cc4)[N+](=O)[O-])C(=O)Cc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A12 compound treatment 0.398 0.048 1.0 0.39 0.04 1.0 -1.0 -1.0 1483635 ChemDiv1_003532 CCN(CC)c1ccc(cc1)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A13 compound treatment 0.34 -0.01 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1741790 ChemDiv1_003533 CCOc1cc(ccc1O)C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A14 compound treatment 0.341 -0.009 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972060 ChemDiv1_003534 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Cl)c(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A15 compound treatment 0.35 0.0 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1310272 ChemDiv1_003535 COc1ccccc1C2N(C(=O)Cc3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A16 compound treatment 0.345 -0.005 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1947838 ChemDiv1_003536 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccs2)C(=O)Nc3ccccc3C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A17 compound treatment 0.334 -0.016 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972061 ChemDiv1_003537 COc1ccc(cc1)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C4)c5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A18 compound treatment 0.367 0.017 1.0 0.362 0.012 1.0 -1.0 -1.0 1187227 ChemDiv1_003538 COc1ccc(cc1)C2=NN(C(C2)c3ccc(OC)c(OC)c3)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A19 compound treatment 0.349 -0.001 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1691001 ChemDiv1_003539 COc1cccc(c1)C2N(C(=O)Cc3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A20 compound treatment 0.335 -0.015 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1602615 ChemDiv1_003540 Cc1nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c(C)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A21 compound treatment 0.346 -0.004 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972062 ChemDiv1_003541 CN1C(=C(C(NC1=O)c2ccccc2C(F)(F)F)C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A22 compound treatment 0.339 -0.011 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972063 ChemDiv1_003542 Fc1ccc(cc1)c2nn3c(nnc3s2)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 A24 positive control 0.078 -0.272 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B01 compound treatment 0.363 0.013 1.0 0.368 0.018 1.0 -1.0 -1.0 1478825 ChemDiv1_003543 CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N4CCOCC4)c2CO1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B02 compound treatment 0.363 0.013 1.0 0.355 0.005 1.0 -1.0 -1.0 1730423 ChemDiv1_003544 CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(Br)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B03 compound treatment 0.328 -0.022 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1369892 ChemDiv1_003545 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)COc4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B04 compound treatment 0.331 -0.019 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1600020 ChemDiv1_003546 COc1ccc(cc1Br)C(=O)On2c(nc3ccccc3c2=O)c4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B05 compound treatment 0.337 -0.013 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1323604 ChemDiv1_003547 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4cccc(C)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B06 compound treatment 0.335 -0.015 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1385707 ChemDiv1_003548 CC(C)(C)C1CCC(CC1)C(=O)On2c(nc3ccccc3c2=O)c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B07 compound treatment 0.349 -0.001 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1469351 ChemDiv1_003549 COc1cc(cc(OC)c1OC)C2Nc3cc(C)ccc3NC4=C2C(=O)CC(C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B08 compound treatment 0.35 0.0 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972064 ChemDiv1_003550 CCOc1ccc(Br)cc1C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B09 compound treatment 0.344 -0.006 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1374056 ChemDiv1_003551 COc1ccc(cc1COc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B10 compound treatment 0.368 0.018 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1972065 ChemDiv1_003552 CCCC1=C(C(C(=C(N)O1)C#N)c2cccnc2)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B11 compound treatment 0.343 -0.007 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1638651 ChemDiv1_003553 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(OC)c(COc5ccccn5)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B12 compound treatment 0.342 -0.008 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1972066 ChemDiv1_003554 COC(=O)C1=C(N)OC2=C(C1c3cccc(Br)c3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B13 compound treatment 0.375 0.025 1.0 0.354 0.004 1.0 -1.0 -1.0 1454062 ChemDiv1_003555 COc1ccc(cc1CSc2nc3ccccc3s2)C4Nc5ccccc5C(=O)N4c6ccc(F)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B14 compound treatment 0.34 -0.01 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1187408 ChemDiv1_003556 CCOc1ccc(cc1OCC)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B15 compound treatment 0.352 0.002 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1605039 ChemDiv1_003557 COc1ccc(cc1COc2ccc(Cl)cc2)C3Nc4ccccc4C(=O)N3c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B16 compound treatment 0.331 -0.019 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1972067 ChemDiv1_003558 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(cc3)C4C(=C(N)OC5=C4C(=O)CC(C)(C)C5)C#N)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B17 compound treatment 0.323 -0.027 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1508675 ChemDiv1_003559 COc1ccc(cc1COc2ccccc2F)C3Nc4ccccc4C(=O)N3Cc5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B18 compound treatment 0.329 -0.021 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1972068 ChemDiv1_003560 COc1ccc(cc1COc2ccc([N+](=O)[O-])c(C)c2)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B19 compound treatment 0.333 -0.017 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1972069 ChemDiv1_003561 COc1ccc(cc1COc2c(C)cccc2C)C3Nc4ccccc4C(=O)N3c5cccc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B20 compound treatment 0.245 -0.105 -1.0 0.245 -0.105 -1.0 -1.0 -1.0 1972070 ChemDiv1_003562 Cc1nn(c2OC(=C(C#N)C3(C(=O)Nc4ccc(Br)cc43)c12)N)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B21 compound treatment 0.344 -0.006 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972071 ChemDiv1_003563 CCOC(=O)C1=C(N)OC2=C(C1c3ccccc3[N+](=O)[O-])C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B22 compound treatment 0.326 -0.024 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1371861 ChemDiv1_003564 CCOC(=O)C1=C(N)Oc2c(C1c3c(F)cccc3Cl)c(=O)oc4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 B24 positive control 0.077 -0.273 -1.0 0.077 -0.273 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C01 compound treatment 0.348 -0.002 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1783858 ChemDiv1_003565 [O-][N+](=O)c1c(Sc2ncnc3[nH]cnc23)ccc4nsnc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C02 compound treatment 0.446 0.096 1.0 0.438 0.088 1.0 -1.0 -1.0 1924205 ChemDiv1_003566 Cc1ccc(cc1C)c2nn(c3cc(ccc3[N+](=O)[O-])N4CCN(CCO)CC4)c(=O)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C03 compound treatment 0.338 -0.012 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1741741 ChemDiv1_003567 COc1ccccc1NC(=O)c2cc(nc3ccccc23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C04 compound treatment 0.379 0.029 1.0 0.364 0.014 1.0 -1.0 -1.0 1972072 ChemDiv1_003568 CC(C)(C)c1ccc(Oc2c(oc3cc(OCC(=O)O)ccc3c2=O)C(F)(F)F)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C05 compound treatment 0.322 -0.028 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1972073 ChemDiv1_003569 CC1CCC2C(C1)C(=O)N(CNc3ccc(Br)cc3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C06 compound treatment 0.37 0.02 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1429536 ChemDiv1_003570 CCCOc1ccc(cc1OC)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C07 compound treatment 0.352 0.002 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1783502 ChemDiv1_003571 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(s4)[N+](=O)[O-])C(=O)Cc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C08 compound treatment 0.33 -0.02 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1972074 ChemDiv1_003572 Fc1ccccc1c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C09 compound treatment 0.349 -0.001 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1333813 ChemDiv1_003573 CN(C)c1ccc(cc1)C2N(C(=O)Cc3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C10 compound treatment 0.341 -0.009 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1385408 ChemDiv1_003574 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C11 compound treatment 0.353 0.003 1.0 0.321 -0.029 -1.0 -1.0 -1.0 1972075 ChemDiv1_003575 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc(cc4)[N+](=O)[O-])C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C12 compound treatment 0.349 -0.001 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1463317 ChemDiv1_003576 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C13 compound treatment 0.361 0.011 1.0 0.356 0.006 1.0 -1.0 -1.0 1972076 ChemDiv1_003577 CCCOc1cccc(c1)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C14 compound treatment 0.35 0.0 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972077 ChemDiv1_003578 COc1ccc(cc1[N+](=O)[O-])C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C15 compound treatment 0.36 0.01 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1941658 ChemDiv1_003579 CCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(o4)c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C16 compound treatment 0.373 0.023 1.0 0.357 0.007 1.0 -1.0 -1.0 1972078 ChemDiv1_003580 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C17 compound treatment 0.353 0.003 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1169887 ChemDiv1_003581 CCC(=O)N1C(C2=C(CC(CC2=O)c3ccco3)Nc4ccccc14)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C18 compound treatment 0.374 0.024 1.0 0.379 0.029 1.0 -1.0 -1.0 1137529 ChemDiv1_003582 COc1ccc(cc1)C2=NN(C(C2)c3cn(nc3c4ccccc4)c5ccccc5)C(=O)CCCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C19 compound treatment 0.365 0.015 1.0 0.35 0.0 -1.0 -1.0 -1.0 1294475 ChemDiv1_003583 COc1ccc(C2Nc3ccc(cc3NC4=C2C(=O)CC(C)(C)C4)C(=O)c5ccccc5)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C20 compound treatment 0.312 -0.038 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1972079 ChemDiv1_003584 Cc1cc(c(C#N)c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])n1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C21 compound treatment 0.342 -0.008 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1494965 ChemDiv1_003585 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccccc5Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C22 compound treatment 0.336 -0.014 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972080 ChemDiv1_003586 Clc1ccc(cc1)c2nnc3sc(nn23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 C24 positive control 0.08 -0.27 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D01 compound treatment 0.363 0.013 1.0 0.36 0.01 1.0 -1.0 -1.0 1513188 ChemDiv1_003587 CC1(C)Cc2c(C#N)c(SCC(=O)c3ccc(Br)cc3)nc(N4CCOCC4)c2CO1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D02 compound treatment 0.347 -0.003 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1949074 ChemDiv1_003588 COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(Br)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D03 compound treatment 0.355 0.005 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972081 ChemDiv1_003589 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D04 compound treatment 0.333 -0.017 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1289721 ChemDiv1_003590 Fc1ccccc1c2nc3ccccc3c(=O)n2OC(=O)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D05 compound treatment 0.378 0.028 1.0 0.371 0.021 1.0 -1.0 -1.0 1151856 ChemDiv1_003591 CCN(CC)c1ccc(cc1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D06 compound treatment 0.301 -0.049 -1.0 0.288 -0.062 -1.0 -1.0 -1.0 1634062 ChemDiv1_003592 Cc1cccc(c1)c2nc3ccccc3c(=O)n2OC(=O)c4c(F)cccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D07 compound treatment 0.345 -0.005 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1273329 ChemDiv1_003593 Brc1cccc(c1)C2Nc3ccc(cc3NC4=C2C(=O)CCC4)C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D08 compound treatment 0.373 0.023 1.0 0.36 0.01 1.0 -1.0 -1.0 1121346 ChemDiv1_003594 CC1=C(C(C(=C(S)N1)C#N)c2cccs2)C(=O)OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D09 compound treatment 0.328 -0.022 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1295486 ChemDiv1_003595 COc1ccc(cc1CSc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D10 compound treatment 0.338 -0.012 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972082 ChemDiv1_003596 COCCOC(=O)C1=C(N)OC2=C(C1c3ccccc3[N+](=O)[O-])C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D11 compound treatment 0.345 -0.005 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1262591 ChemDiv1_003597 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(OC)c(COc5ccccc5F)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D12 compound treatment 0.345 -0.005 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972083 ChemDiv1_003598 CCCCOc1ccc(cc1OC)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D13 compound treatment 0.325 -0.025 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1420502 ChemDiv1_003599 CCOC(=O)c1ccccc1OCc2cc(ccc2OC)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D14 compound treatment 0.341 -0.009 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1590080 ChemDiv1_003600 COc1cc(ccc1OC(C)C)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D15 compound treatment 0.317 -0.033 -1.0 0.304 -0.046 -1.0 -1.0 -1.0 1926561 ChemDiv1_003601 COc1ccc(cc1Cn2cc(cn2)[N+](=O)[O-])C3Nc4ccccc4C(=O)N3c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D16 compound treatment 0.316 -0.034 -1.0 0.307 -0.043 -1.0 -1.0 -1.0 1972084 ChemDiv1_003602 COc1ccc(cc1COc2ccccc2Br)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D17 compound treatment 0.328 -0.022 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1628129 ChemDiv1_003603 COc1ccc(cc1COc2cc(C)c(Cl)cc2C(C)C)C3Nc4ccccc4C(=O)N3Cc5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D18 compound treatment 0.313 -0.037 -1.0 0.305 -0.045 -1.0 -1.0 -1.0 1972085 ChemDiv1_003604 COc1ccc(cc1COc2cccc(Cl)c2)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D19 compound treatment 0.324 -0.026 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1293465 ChemDiv1_003605 COc1cc(cc(OC)c1OC)C2Nc3ccccc3C(=O)N2c4cccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D20 compound treatment 0.323 -0.027 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1203913 ChemDiv1_003606 Cc1cc2OC(=C(C#N)C3(C(=O)Nc4ccc(Br)cc43)c2c(=O)o1)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D21 compound treatment 0.332 -0.018 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1403609 ChemDiv1_003607 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(O)cc3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D22 compound treatment 0.328 -0.022 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1437882 ChemDiv1_003608 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)c5ccccc5)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 D24 positive control 0.081 -0.269 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E01 compound treatment 0.364 0.014 1.0 0.354 0.004 1.0 -1.0 -1.0 1913169 ChemDiv1_003609 COc1cc(cc(OC)c1OC)C2NC(Cc3c2[nH]c4ccccc34)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E02 compound treatment 0.359 0.009 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972086 ChemDiv1_003610 Cc1cc(C)n(n1)c2cc(C)nc(n2)n3nc(C)cc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E03 compound treatment 0.35 0.0 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1493314 ChemDiv1_003611 CCOC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E04 compound treatment 0.368 0.018 1.0 0.351 0.001 1.0 -1.0 -1.0 1267526 ChemDiv1_003612 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E05 compound treatment 0.331 -0.019 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1972087 ChemDiv1_003613 CC1CCC2C(C1)C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E06 compound treatment 0.36 0.01 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1463008 ChemDiv1_003614 CCOc1ccc(cc1OC)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E07 compound treatment 0.358 0.008 1.0 0.317 -0.033 -1.0 -1.0 -1.0 1494841 ChemDiv1_003615 COc1cc(cc(OC)c1OC)C2N(C(=O)Cc3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E08 compound treatment 0.342 -0.008 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1504968 ChemDiv1_003616 COc1ccc(Cl)cc1C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E09 compound treatment 0.346 -0.004 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1446706 ChemDiv1_003617 COc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E10 compound treatment 0.343 -0.007 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1386453 ChemDiv1_003618 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E11 compound treatment 0.349 -0.001 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1612209 ChemDiv1_003619 Cc1ccc(o1)C2N(C(=O)Cc3ccc(Cl)cc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E12 compound treatment 0.347 -0.003 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1618927 ChemDiv1_003620 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4c(F)cccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E13 compound treatment 0.364 0.014 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1267036 ChemDiv1_003621 CCCOc1ccc(cc1OC)C2N(C(=O)CC)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E14 compound treatment 0.346 -0.004 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1207726 ChemDiv1_003622 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E15 compound treatment 0.361 0.011 1.0 0.326 -0.024 -1.0 -1.0 -1.0 1255600 ChemDiv1_003623 COc1cc(ccc1OCc2ccccc2)C3N(C(=O)C)c4ccccc4NC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E16 compound treatment 0.332 -0.018 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972088 ChemDiv1_003624 Cc1ccc(cc1)C2=NN(C(C2)c3ccc(Br)cc3)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E17 compound treatment 0.327 -0.023 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1972089 ChemDiv1_003625 CCCCCC(=O)N1C(C2=C(CC(CC2=O)c3ccco3)Nc4ccccc14)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E18 compound treatment 0.279 -0.071 -1.0 0.285 -0.065 -1.0 -1.0 -1.0 1675096 ChemDiv1_003626 Cc1ccc(cc1)N2C(=O)CC(Sc3nc4ccccc4o3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E19 compound treatment 0.311 -0.039 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1666247 ChemDiv1_003627 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Br)c(O)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E20 compound treatment 0.358 0.008 1.0 0.355 0.005 1.0 -1.0 -1.0 1463989 ChemDiv1_003628 COc1cc(cc(OC)c1OC)c2c(C#N)c(N)nc3sc(C(=O)N)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E21 compound treatment 0.332 -0.018 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1183030 ChemDiv1_003629 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Cl)c(O)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E22 compound treatment 0.344 -0.006 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972090 ChemDiv1_003630 COc1cc(/C=C\2/NC(=S)NC2=O)ccc1OCc3ccccc3[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 E24 positive control 0.083 -0.267 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F01 compound treatment 0.377 0.027 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1641369 ChemDiv1_003631 CCOC(=O)c1sc2nc(N3CCOCC3)c4COC(C)(C)Cc4c2c1N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F02 compound treatment 0.354 0.004 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1641270 ChemDiv1_003632 CCOc1c(Br)cc(C=c2sc3nc4ccccc4n3c2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F03 compound treatment 0.349 -0.001 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972091 ChemDiv1_003633 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(OC)c(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F04 compound treatment 0.346 -0.004 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1219588 ChemDiv1_003634 CC(C)(C)c1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F05 compound treatment 0.363 0.013 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1609774 ChemDiv1_003635 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F06 compound treatment 0.359 0.009 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1685670 ChemDiv1_003636 Clc1c(sc2ccccc12)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F07 compound treatment 0.368 0.018 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1948397 ChemDiv1_003637 CCC(=O)N1C(C2=C(CC(CC2=O)c3ccccc3)Nc4ccccc14)c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F08 compound treatment 0.388 0.038 1.0 0.381 0.031 1.0 -1.0 -1.0 1622120 ChemDiv1_003638 CCOC(=O)C1=C(C)NC(=C(C#N)C1c2ccsc2)S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F09 compound treatment 0.356 0.006 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972092 ChemDiv1_003639 COc1ccc(cc1COc2cc(C)c(Cl)cc2C(C)C)C3Nc4ccccc4C(=O)N3c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F10 compound treatment 0.343 -0.007 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972093 ChemDiv1_003640 COCCOC(=O)C1=C(N)OC2=C(C1c3cccnc3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F11 compound treatment 0.347 -0.003 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1623119 ChemDiv1_003641 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc5n(C)c6ccccc6c5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F12 compound treatment 0.341 -0.009 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972094 ChemDiv1_003642 Cc1nn(c(Cl)c1C2C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C#N)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F13 compound treatment 0.316 -0.034 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1533547 ChemDiv1_003643 COc1ccc(cc1Cn2nnc3ccccc23)C4Nc5ccccc5C(=O)N4c6ccc(F)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F14 compound treatment 0.355 0.005 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972095 ChemDiv1_003644 COCCOC(=O)C1=C(N)Oc2c(C1c3ccncc3)c(=O)oc4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F15 compound treatment 0.321 -0.029 -1.0 0.304 -0.046 -1.0 -1.0 -1.0 1199095 ChemDiv1_003645 COc1ccc(cc1CSc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F16 compound treatment 0.315 -0.035 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1972096 ChemDiv1_003646 COc1ccc(cc1COc2ccccc2[N+](=O)[O-])C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F17 compound treatment 0.312 -0.038 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1554799 ChemDiv1_003647 COc1ccc(cc1CN2C(=O)c3ccccc3C2=O)C4Nc5ccccc5C(=O)N4Cc6ccco6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F18 compound treatment 0.307 -0.043 -1.0 0.302 -0.048 -1.0 -1.0 -1.0 1972097 ChemDiv1_003648 COc1ccc(cc1COc2ccc(Cl)cc2)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F19 compound treatment 0.324 -0.026 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1210982 ChemDiv1_003649 CCN(CC)CCN1C(Nc2ccccc2C1=O)c3cc(OC)c(OC)c(OC)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F20 compound treatment 0.337 -0.013 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1619977 ChemDiv1_003650 NC1=C(C#N)C2(C(=O)Nc3ccc(Br)cc32)C4=C(CCCC4=O)O1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F21 compound treatment 0.351 0.001 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1503763 ChemDiv1_003651 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(OC)c(OC)c3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F22 compound treatment 0.348 -0.002 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1402798 ChemDiv1_003652 NS(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 F24 positive control 0.083 -0.267 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G01 compound treatment 0.373 0.023 1.0 0.368 0.018 1.0 -1.0 -1.0 1323011 ChemDiv1_003653 Clc1ccc(cc1Cl)n2c(CSc3ncnc4[nH]cnc34)nc5ccccc5c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G02 compound treatment 0.359 0.009 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1949436 ChemDiv1_003654 FC(F)(F)c1ccc(Cl)c(NC(=O)C2COc3ccccc3O2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G03 compound treatment 0.379 0.029 1.0 0.362 0.012 1.0 -1.0 -1.0 1972098 ChemDiv1_003655 CC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G04 compound treatment 0.359 0.009 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1269765 ChemDiv1_003656 COc1nccnc1NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G05 compound treatment 0.341 -0.009 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1531225 ChemDiv1_003657 COc1ccc(cc1)c2cc(C(=O)Nc3ccccc3OC)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G06 compound treatment 0.365 0.015 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972099 ChemDiv1_003658 CCOc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OCCSCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G07 compound treatment 0.382 0.032 1.0 0.361 0.011 1.0 -1.0 -1.0 1972100 ChemDiv1_003659 CCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(o4)c5ccc(cc5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G08 compound treatment 0.351 0.001 1.0 0.329 -0.021 -1.0 -1.0 -1.0 1588762 ChemDiv1_003660 COc1cccc(CC(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G09 compound treatment 0.363 0.013 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1782662 ChemDiv1_003661 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4cccc(c4)[N+](=O)[O-])C(=O)Cc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G10 compound treatment 0.337 -0.013 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972101 ChemDiv1_003662 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(cc4Cl)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G11 compound treatment 0.348 -0.002 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972102 ChemDiv1_003663 COc1cc(cc(OC)c1OC)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G12 compound treatment 0.354 0.004 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1972103 ChemDiv1_003664 COc1ccc(cc1OC)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G13 compound treatment 0.332 -0.018 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1972104 ChemDiv1_003665 CCCOc1ccc(cc1OC)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G14 compound treatment 0.36 0.01 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1698962 ChemDiv1_003666 COc1ccc(cc1OC)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G15 compound treatment 0.353 0.003 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972105 ChemDiv1_003667 CC(C)Oc1ccc(cc1)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G16 compound treatment 0.321 -0.029 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1289089 ChemDiv1_003668 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G17 compound treatment 0.331 -0.019 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972106 ChemDiv1_003669 COc1ccc(cc1OC)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C4)c5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G18 compound treatment 0.344 -0.006 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1328822 ChemDiv1_003670 Cc1ccc(cc1)N2C(=O)CC(Sc3nc(C)cc(C)c3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G19 compound treatment 0.329 -0.021 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1947407 ChemDiv1_003671 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2)C(=O)Nc3ccccc3C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G20 compound treatment 0.361 0.011 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1332142 ChemDiv1_003672 COc1cc(cc(OC)c1OC)c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G21 compound treatment 0.322 -0.028 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1947503 ChemDiv1_003673 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(Cl)c(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G22 compound treatment 0.322 -0.028 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1332974 ChemDiv1_003674 COC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 G24 positive control 0.085 -0.265 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H01 compound treatment 0.382 0.032 1.0 0.368 0.018 1.0 -1.0 -1.0 1972107 ChemDiv1_003675 CCOC(=O)c1c(NC(=O)CN2C(=O)C3CC=C(Cl)CC3C2=O)sc4CCCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H02 compound treatment 0.35 0.0 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1138082 ChemDiv1_003676 COc1ccc(cc1)C(=O)Oc2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H03 compound treatment 0.344 -0.006 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1597317 ChemDiv1_003677 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)cc(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H04 compound treatment 0.345 -0.005 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972108 ChemDiv1_003678 Cc1ccccc1C(=O)On2c(nc3ccccc3c2=O)c4ccc(Cl)c(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H05 compound treatment 0.356 0.006 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972109 ChemDiv1_003679 COc1ccc(/C=C(\C#N)/C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H06 compound treatment 0.39 0.04 1.0 0.384 0.034 1.0 -1.0 -1.0 1275145 ChemDiv1_003680 COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)nc(OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H07 compound treatment 0.339 -0.011 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972110 ChemDiv1_003681 CSc1nnc(o1)c2ccc(NC(=S)N3CCCCC3)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H08 compound treatment 0.398 0.048 1.0 0.406 0.056 1.0 -1.0 -1.0 1294556 ChemDiv1_003682 CC1=C(C(C(=C(S)N1)C#N)c2cccnc2)C(=O)OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H09 compound treatment 0.352 0.002 1.0 0.35 0.0 -1.0 -1.0 -1.0 1631992 ChemDiv1_003683 COc1ccc(cc1CSc2nc3ccccc3s2)C4Nc5ccccc5C(=O)N4c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H10 compound treatment 0.355 0.005 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972111 ChemDiv1_003684 COCCOC(=O)C1=C(N)OC2=C(C1c3cccc(c3)[N+](=O)[O-])C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H11 compound treatment 0.336 -0.014 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1304978 ChemDiv1_003685 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4cc(OC)c(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H12 compound treatment 0.335 -0.015 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972112 ChemDiv1_003686 Cc1nn(c(Cl)c1C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H13 compound treatment 0.315 -0.035 -1.0 0.296 -0.054 -1.0 -1.0 -1.0 1738017 ChemDiv1_003687 COc1ccc(cc1Cn2nnc3ccccc23)C4Nc5ccccc5C(=O)N4c6ccc(Cl)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H14 compound treatment 0.328 -0.022 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1972113 ChemDiv1_003688 Cc1cc(c2c(N)c(sc2n1)C(=O)c3ccc(Cl)s3)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H15 compound treatment 0.324 -0.026 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1506926 ChemDiv1_003689 COc1ccc(cc1CN2C(=O)c3ccccc3C2=O)C4Nc5ccccc5C(=O)N4c6ccc(C)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H16 compound treatment 0.311 -0.039 -1.0 0.306 -0.044 -1.0 -1.0 -1.0 1972114 ChemDiv1_003690 COc1ccc(cc1COc2ccccc2[N+](=O)[O-])C3C(=C(N)Oc4n[nH]c(C)c34)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H17 compound treatment 0.333 -0.017 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1741585 ChemDiv1_003691 COc1ccc(cc1COc2ccccc2F)C3Nc4ccccc4C(=O)N3c5cccc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H18 compound treatment 0.326 -0.024 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1972115 ChemDiv1_003692 COC(=O)C1=C(N)OC2=C(C1c3cccnc3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H19 compound treatment 0.318 -0.032 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1585328 ChemDiv1_003693 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(CSc4ccccn4)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H20 compound treatment 0.322 -0.028 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1972116 ChemDiv1_003694 COc1ccc(NC(=O)CSc2nc(C)cc(c2C#N)C(F)(F)F)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H21 compound treatment 0.328 -0.022 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1940201 ChemDiv1_003695 Oc1ccccc1C2CC(=NN2c3ccc(cc3)[N+](=O)[O-])c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H22 compound treatment 0.318 -0.032 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1783090 ChemDiv1_003696 OC(=O)CCc1nc2ccccc2[nH]c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 H24 positive control 0.085 -0.265 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I01 compound treatment 0.416 0.066 1.0 0.403 0.053 1.0 -1.0 -1.0 1972117 ChemDiv1_003697 O=C1c2ccccc2C(=O)c3cc(ccc13)S(=O)(=O)Nc4cccc5cccnc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I02 compound treatment 0.367 0.017 1.0 0.365 0.015 1.0 -1.0 -1.0 1942266 ChemDiv1_003698 FC(F)(F)c1ccc(Cl)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I03 compound treatment 0.361 0.011 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1398617 ChemDiv1_003699 Brc1ccc(cc1)c2cc(C(=O)N3CCOCC3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I04 compound treatment 0.382 0.032 1.0 0.375 0.025 1.0 -1.0 -1.0 1117622 ChemDiv1_003700 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I05 compound treatment 0.362 0.012 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1735688 ChemDiv1_003701 CN(C)c1ccc(cc1)C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I06 compound treatment 0.403 0.053 1.0 0.394 0.044 1.0 -1.0 -1.0 1972118 ChemDiv1_003702 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I07 compound treatment 0.346 -0.004 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1686952 ChemDiv1_003703 COc1cc(cc(OC)c1OC)C2N(C(=O)C(C)C)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I08 compound treatment 0.341 -0.009 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1149956 ChemDiv1_003704 COc1cc(OC)cc(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I09 compound treatment 0.332 -0.018 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1947742 ChemDiv1_003705 CN(C)/C=C\1/C(=O)N(N=C1C(F)(F)F)c2nc3ccccc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I10 compound treatment 0.385 0.035 1.0 0.375 0.025 1.0 -1.0 -1.0 1972119 ChemDiv1_003706 COc1ccc(C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I11 compound treatment 0.332 -0.018 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1488499 ChemDiv1_003707 CN(C)c1ccc(cc1)C2N(C(=O)c3ccc(F)cc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I12 compound treatment 0.344 -0.006 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1712333 ChemDiv1_003708 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4cc(Br)ccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I13 compound treatment 0.363 0.013 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1152977 ChemDiv1_003709 COc1ccc(OC)c(c1)C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I14 compound treatment 0.335 -0.015 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1166729 ChemDiv1_003710 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I15 compound treatment 0.347 -0.003 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1640599 ChemDiv1_003711 CC(=O)Oc1cccc(c1)C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I16 compound treatment 0.326 -0.024 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1972120 ChemDiv1_003712 COc1ccccc1C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I17 compound treatment 0.365 0.015 1.0 0.359 0.009 1.0 -1.0 -1.0 1425826 ChemDiv1_003713 CCN(CC)c1ccc(cc1)C2N(C(=O)C)c3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I18 compound treatment 0.348 -0.002 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1218259 ChemDiv1_003714 Cc1ccc(cc1)N2C(=O)CC(Sc3nc(ccc3C#N)C4CC4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I19 compound treatment 0.322 -0.028 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1972121 ChemDiv1_003715 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(ccc5Cl)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I20 compound treatment 0.322 -0.028 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1338023 ChemDiv1_003716 COc1cc(cc(OC)c1OC)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I21 compound treatment 0.326 -0.024 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1948370 ChemDiv1_003717 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)cc2)C(=O)Nc3ccccc3C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I22 compound treatment 0.325 -0.025 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1259634 ChemDiv1_003718 COC(=O)CCSc1nc2sc3CCCc3c2c(=O)n1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 I24 positive control 0.085 -0.265 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J01 compound treatment 0.428 0.078 1.0 0.439 0.089 1.0 -1.0 -1.0 1530128 ChemDiv1_003719 CCN(CC)c1ccc(cc1)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)cc(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J02 compound treatment 0.384 0.034 1.0 0.377 0.027 1.0 -1.0 -1.0 1972122 ChemDiv1_003720 Cc1cc(C)cc(c1)N2C(c3cccc(c3)[N+](=O)[O-])S(=O)(=O)CC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J03 compound treatment 0.376 0.026 1.0 0.374 0.024 1.0 -1.0 -1.0 1972123 ChemDiv1_003721 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc(OC)c(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J04 compound treatment 0.342 -0.008 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1506469 ChemDiv1_003722 Cc1cccc(c1)c2nc3ccccc3c(=O)n2OC(=O)c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J05 compound treatment 0.351 0.001 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1291803 ChemDiv1_003723 CC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)c3ccoc3)c4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J06 compound treatment 0.394 0.044 1.0 0.369 0.019 1.0 -1.0 -1.0 1528862 ChemDiv1_003724 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J07 compound treatment 0.362 0.012 1.0 0.354 0.004 1.0 -1.0 -1.0 1654231 ChemDiv1_003725 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N)C(=O)N(CC)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J08 compound treatment 0.357 0.007 1.0 0.369 0.019 1.0 -1.0 -1.0 1348892 ChemDiv1_003726 NC1=C(C#N)C(c2cccc(OCc3ccccc3)c2)c4c(O1)c5ccccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J09 compound treatment 0.356 0.006 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1117948 ChemDiv1_003727 CCOC(=O)c1ccccc1OCc2cc(ccc2OC)C3Nc4ccccc4C(=O)N3c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J10 compound treatment 0.353 0.003 1.0 0.356 0.006 1.0 -1.0 -1.0 1972124 ChemDiv1_003728 COCCOC(=O)C1=C(N)OC2=C(C1c3ccccc3[N+](=O)[O-])C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J11 compound treatment 0.345 -0.005 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1583931 ChemDiv1_003729 COc1ccc(cc1COc2ccc(Cl)cc2)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J12 compound treatment 0.343 -0.007 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1180588 ChemDiv1_003730 COc1cc(ccc1OCC(=O)N)C2C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J13 compound treatment 0.344 -0.006 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1419738 ChemDiv1_003731 COc1ccc(cc1COc2ccc(NC(=O)C)cc2)C3Nc4ccccc4C(=O)N3c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J14 compound treatment 0.378 0.028 1.0 0.379 0.029 1.0 -1.0 -1.0 1972125 ChemDiv1_003732 COc1ccc(/C=C/2\CN(C)CC3=C2OC(=C(C#N)C3c4ccc(OC)c(OC)c4)N)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J15 compound treatment 0.323 -0.027 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1189649 ChemDiv1_003733 COc1ccc(cc1CSc2ccccn2)C3Nc4ccccc4C(=O)N3Cc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J16 compound treatment 0.269 -0.081 -1.0 0.265 -0.085 -1.0 -1.0 -1.0 1296335 ChemDiv1_003734 COc1ccc(cc1COc2cccc(Cl)c2)C3C(=C(N)Oc4n[nH]c(C)c34)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J17 compound treatment 0.343 -0.007 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972126 ChemDiv1_003735 COc1ccc(cc1COc2ccc(Cl)cc2)C3Nc4ccccc4C(=O)N3c5cccc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J18 compound treatment 0.339 -0.011 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1257070 ChemDiv1_003736 CCN(CC)C(=O)COc1ccc(cc1OC)C2C(=C(N)Oc3n[nH]c(COC)c23)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J19 compound treatment 0.32 -0.03 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1932003 ChemDiv1_003737 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(COc4ccc([N+](=O)[O-])c(C)c4)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J20 compound treatment 0.287 -0.063 -1.0 0.29 -0.06 -1.0 -1.0 -1.0 1972127 ChemDiv1_003738 CCOC(=O)C1=C(CCl)OC(=C(C#N)C1c2cccc(OCc3ccccc3)c2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J21 compound treatment 0.336 -0.014 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1454491 ChemDiv1_003739 Cn1c(nc2ccccc12)n3c(CN4C(=O)c5ccccc5C4=O)nc6ccccc6c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J22 compound treatment 0.331 -0.019 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1329005 ChemDiv1_003740 CS(=O)(=O)Cc1nc2ccccc2[nH]c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 J24 positive control 0.084 -0.266 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K01 compound treatment 0.371 0.021 1.0 0.355 0.005 1.0 -1.0 -1.0 1972128 ChemDiv1_003741 O=C1c2ccccc2C(=O)c3cc(ccc13)S(=O)(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K02 compound treatment 0.378 0.028 1.0 0.362 0.012 1.0 -1.0 -1.0 1513122 ChemDiv1_003742 CC1CCc2c(C(=O)N)c(NC(=O)CCN3C(=O)c4ccccc4C3=O)sc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K03 compound treatment 0.398 0.048 1.0 0.383 0.033 1.0 -1.0 -1.0 1972129 ChemDiv1_003743 COc1ccc(cc1)c2cc(C(=O)Nc3cccc(c3)C(=O)C)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K04 compound treatment 0.362 0.012 1.0 0.359 0.009 1.0 -1.0 -1.0 1551904 ChemDiv1_003744 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K05 compound treatment 0.388 0.038 1.0 0.375 0.025 1.0 -1.0 -1.0 1479033 ChemDiv1_003745 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4ccc5OCOc5c4)C(=O)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K06 compound treatment 0.393 0.043 1.0 0.388 0.038 1.0 -1.0 -1.0 1972130 ChemDiv1_003746 CCSCCOC(=O)C1=C(C)NC2=C(C1c3cc(Cl)c(O)c(OC)c3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K07 compound treatment 0.351 0.001 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1213027 ChemDiv1_003747 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3N(C2c4cccs4)C(=O)Cc5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K08 compound treatment 0.336 -0.014 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1389135 ChemDiv1_003748 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(F)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K09 compound treatment 0.329 -0.021 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1972131 ChemDiv1_003749 CN(C)/C=C\1/C(=O)N(N=C1c2ccccc2)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K10 compound treatment 0.382 0.032 1.0 0.386 0.036 1.0 -1.0 -1.0 1552821 ChemDiv1_003750 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K11 compound treatment 0.355 0.005 1.0 0.35 0.0 -1.0 -1.0 -1.0 1972132 ChemDiv1_003751 CCCCCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4cccc(OC)c4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K12 compound treatment 0.358 0.008 1.0 0.355 0.005 1.0 -1.0 -1.0 1496326 ChemDiv1_003752 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K13 compound treatment 0.258 -0.092 -1.0 0.264 -0.086 -1.0 -1.0 -1.0 1972133 ChemDiv1_003753 CCCCCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4cc(OC)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K14 compound treatment 0.337 -0.013 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972134 ChemDiv1_003754 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K15 compound treatment 0.385 0.035 1.0 0.371 0.021 1.0 -1.0 -1.0 1373102 ChemDiv1_003755 COc1ccc(cc1COc2ccc(F)cc2)C3N(C(=O)C)c4ccccc4NC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K16 compound treatment 0.38 0.03 1.0 0.369 0.019 1.0 -1.0 -1.0 1352004 ChemDiv1_003756 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K17 compound treatment 0.362 0.012 1.0 0.363 0.013 1.0 -1.0 -1.0 1719199 ChemDiv1_003757 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccc(OC)c(OC)c5)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K18 compound treatment 0.419 0.069 1.0 0.415 0.065 1.0 -1.0 -1.0 1412842 ChemDiv1_003758 COc1cc(cc(OC)c1OC)c2cc(nc3sc(C(=O)O)c(N)c23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K19 compound treatment 0.33 -0.02 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1947628 ChemDiv1_003759 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)Nc3ccccc3C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K20 compound treatment 0.344 -0.006 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972135 ChemDiv1_003760 Cc1ccc(cc1)N2C(=O)CC(Sc3nc(C)c(C)c(C)c3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K21 compound treatment 0.327 -0.023 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1947607 ChemDiv1_003761 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3ccccc3C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K22 compound treatment 0.336 -0.014 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1559240 ChemDiv1_003762 CC1(C)Cc2c(CS1)c(nc3sc(C(=O)c4ccccc4)c(N)c23)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 K24 positive control 0.086 -0.264 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L01 compound treatment 0.466 0.116 1.0 0.438 0.088 1.0 -1.0 -1.0 1972136 ChemDiv1_003763 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L02 compound treatment 0.33 -0.02 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1169379 ChemDiv1_003764 CCc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L03 compound treatment 0.427 0.077 1.0 0.42 0.07 1.0 -1.0 -1.0 1166341 ChemDiv1_003765 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(OC)c(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L04 compound treatment 0.355 0.005 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1470873 ChemDiv1_003766 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2OC(=O)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L05 compound treatment 0.394 0.044 1.0 0.379 0.029 1.0 -1.0 -1.0 1278030 ChemDiv1_003767 COc1ccc(cc1OC)C2N(C(=O)C(C)C)c3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L06 compound treatment 0.401 0.051 1.0 0.406 0.056 1.0 -1.0 -1.0 1512237 ChemDiv1_003768 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L07 compound treatment 0.351 0.001 1.0 0.331 -0.019 -1.0 -1.0 -1.0 1657300 ChemDiv1_003769 CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)scc1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L08 compound treatment 0.332 -0.018 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1972137 ChemDiv1_003770 COC(=O)C1=C(N)OC2=C(C1c3ccc(Br)cc3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L09 compound treatment 0.378 0.028 1.0 0.423 0.073 1.0 -1.0 -1.0 1326813 ChemDiv1_003771 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(OC)c(CSc5nc6ccccc6s5)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L10 compound treatment 0.356 0.006 1.0 0.321 -0.029 -1.0 -1.0 -1.0 1972138 ChemDiv1_003772 COCCOC(=O)C1=C(N)OC2=C(C1c3ccc(Br)cc3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L11 compound treatment 0.34 -0.01 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972139 ChemDiv1_003773 COc1ccc(cc1Cn2nc(C)c([N+](=O)[O-])c2C)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L12 compound treatment 0.35 0.0 -1.0 0.367 0.017 1.0 -1.0 -1.0 1972140 ChemDiv1_003774 NC1=C(C#N)C(c2ccc(F)cc2Br)c3c(O1)c4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L13 compound treatment 0.346 -0.004 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1637737 ChemDiv1_003775 COc1ccc(cc1CSc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L14 compound treatment 0.389 0.039 1.0 0.388 0.038 1.0 -1.0 -1.0 1224452 ChemDiv1_003776 CC1=C(C(C(=C(S)N1)C#N)c2ccsc2)C(=O)OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L15 compound treatment 0.352 0.002 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972141 ChemDiv1_003777 COc1ccc(cc1COc2ccc([N+](=O)[O-])c(C)c2)C3Nc4ccccc4C(=O)N3Cc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L16 compound treatment 0.346 -0.004 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972142 ChemDiv1_003778 COc1ccc(cc1Cn2nc([N+](=O)[O-])c(Br)c2C)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L17 compound treatment 0.336 -0.014 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972143 ChemDiv1_003779 COc1ccc(cc1CN2C(=O)c3ccccc3C2=O)C4Nc5ccccc5C(=O)N4c6cccc7ccccc67 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L18 compound treatment 0.356 0.006 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1633285 ChemDiv1_003780 CCN(CC)C(=O)COc1ccc(cc1OC)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L19 compound treatment 0.34 -0.01 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972144 ChemDiv1_003781 CCN(CC)C(=O)CN1C(=O)C2CCC(=O)CC2C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L20 compound treatment 0.343 -0.007 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972145 ChemDiv1_003782 COCCOC(=O)C1=C(N)OC2=C(C1c3ccc(Cl)cc3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L21 compound treatment 0.339 -0.011 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1402136 ChemDiv1_003783 COc1ccccc1n2c(CCN3C(=O)c4ccccc4C3=O)nc5ccccc5c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L22 compound treatment 0.334 -0.016 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1315025 ChemDiv1_003784 Oc1ccc(cc1)C2Nc3ccc4ccccc4c3C5C=CCC52 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 L24 positive control 0.086 -0.264 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M01 compound treatment 0.37 0.02 1.0 0.36 0.01 1.0 -1.0 -1.0 1949666 ChemDiv1_003785 CCOc1cc([N+](=O)[O-])c2NC(C3CC=CC3c2c1)c4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M02 compound treatment 0.341 -0.009 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972146 ChemDiv1_003786 CCC(C)OC(=O)CSc1nc2ccccc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M03 compound treatment 0.351 0.001 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1251151 ChemDiv1_003787 COc1ccc(cc1)c2cc(C(=O)N3CCOCC3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M04 compound treatment 0.345 -0.005 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1947665 ChemDiv1_003788 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])C(=O)Nc3ccccc3C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M05 compound treatment 0.372 0.022 1.0 0.362 0.012 1.0 -1.0 -1.0 1152342 ChemDiv1_003789 Clc1ccc2[nH]c(=O)c(Sc3nc4ccccc4o3)c(c5ccccc5)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M06 compound treatment 0.364 0.014 1.0 0.353 0.003 1.0 -1.0 -1.0 1972147 ChemDiv1_003790 CCSCCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3)C(=O)CC(C2)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M07 compound treatment 0.361 0.011 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1621548 ChemDiv1_003791 CCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4cc(OC)c(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M08 compound treatment 0.351 0.001 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1440054 ChemDiv1_003792 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)Cc4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M09 compound treatment 0.421 0.071 1.0 0.407 0.057 1.0 -1.0 -1.0 1942532 ChemDiv1_003793 CN(C)/C=C/1\C(=O)N(N=C1c2ccccc2)c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M10 compound treatment 0.36 0.01 1.0 0.362 0.012 1.0 -1.0 -1.0 1972148 ChemDiv1_003794 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc([N+](=O)[O-])c(C)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M11 compound treatment 0.341 -0.009 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972149 ChemDiv1_003795 COc1cccc(C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M12 compound treatment 0.368 0.018 1.0 0.381 0.031 1.0 -1.0 -1.0 1972150 ChemDiv1_003796 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M13 compound treatment 0.343 -0.007 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972151 ChemDiv1_003797 COc1ccc(OC)c(c1)C2N(C(=O)C(F)(F)F)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M14 compound treatment 0.358 0.008 1.0 0.357 0.007 1.0 -1.0 -1.0 1305534 ChemDiv1_003798 CCOc1cc(cc(Br)c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M15 compound treatment 0.359 0.009 1.0 0.356 0.006 1.0 -1.0 -1.0 1972152 ChemDiv1_003799 CC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(o4)c5ccc(cc5C)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M16 compound treatment 0.382 0.032 1.0 0.386 0.036 1.0 -1.0 -1.0 1214079 ChemDiv1_003800 OCCNc1nc(c2ccccc2)c3cc(Br)ccc3n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M17 compound treatment 0.372 0.022 1.0 0.369 0.019 1.0 -1.0 -1.0 1972153 ChemDiv1_003801 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccc(OC)c(OC)c5)C(=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M18 compound treatment 0.368 0.018 1.0 0.369 0.019 1.0 -1.0 -1.0 1972154 ChemDiv1_003802 COc1cc(cc(OC)c1OC)c2cc(nc(SCC(=O)O)c2C#N)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M19 compound treatment 0.343 -0.007 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1947347 ChemDiv1_003803 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(OC)c(Br)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M20 compound treatment 0.318 -0.032 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1972155 ChemDiv1_003804 Cc1ccc(cc1)N2C(=O)CC(Sc3nc(C)cc(c3C#N)C(F)(F)F)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M21 compound treatment 0.346 -0.004 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1244208 ChemDiv1_003805 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(OC(=O)C)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M22 compound treatment 0.341 -0.009 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1972156 ChemDiv1_003806 CC1(C)Cc2c(CO1)sc3nc(SCC(=O)O)n(c4ccccc4)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 M24 positive control 0.088 -0.262 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N01 compound treatment 0.369 0.019 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972157 ChemDiv1_003807 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N02 compound treatment 0.32 -0.03 -1.0 0.308 -0.042 -1.0 -1.0 -1.0 1565660 ChemDiv1_003808 Cc1ccccc1C(=O)On2c(nc3ccccc3c2=O)c4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N03 compound treatment 0.353 0.003 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1471743 ChemDiv1_003809 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4cc(C)c(C)cc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N04 compound treatment 0.336 -0.014 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1442690 ChemDiv1_003810 COc1ccc(cc1Br)C(=O)On2c(nc3ccccc3c2=O)c4ccc(cc4)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N05 compound treatment 0.384 0.034 1.0 0.352 0.002 1.0 -1.0 -1.0 1950708 ChemDiv1_003811 CCC(=O)N1C(C2=C(CC(CC2=O)c3ccccc3)Nc4ccccc14)c5ccc(cc5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N06 compound treatment 0.364 0.014 1.0 0.353 0.003 1.0 -1.0 -1.0 1972158 ChemDiv1_003812 Fc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c4sc5ccccc5c4Cl)c(F)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N07 compound treatment 0.364 0.014 1.0 0.359 0.009 1.0 -1.0 -1.0 1308177 ChemDiv1_003813 CCOC(=O)c1cnn(c1NC(=O)CSc2nc3ccc(OCC)cc3s2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N08 compound treatment 0.33 -0.02 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972159 ChemDiv1_003814 COC(=O)C1=C(N)OC2=C(C1c3cccs3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N09 compound treatment 0.395 0.045 1.0 0.379 0.029 1.0 -1.0 -1.0 1206117 ChemDiv1_003815 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(OC)c(COc5ccc(NC(=O)C)cc5)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N10 compound treatment 0.366 0.016 1.0 0.372 0.022 1.0 -1.0 -1.0 1716002 ChemDiv1_003816 NC1=C(C#N)C(c2cccc(Br)c2)c3c(O1)c4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N11 compound treatment 0.347 -0.003 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1670964 ChemDiv1_003817 COc1ccc(cc1CSc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N12 compound treatment 0.345 -0.005 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1161866 ChemDiv1_003818 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccccc3OCc4ccccc4Cl)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N13 compound treatment 0.368 0.018 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1202218 ChemDiv1_003819 COc1ccc(cc1COc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N14 compound treatment 0.341 -0.009 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1367931 ChemDiv1_003820 Cc1cc2OC(=C(C#N)C(c3ccccc3OCc4ccccc4Cl)c2c(=O)o1)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N15 compound treatment 0.353 0.003 1.0 0.37 0.02 1.0 -1.0 -1.0 1342184 ChemDiv1_003821 COc1ccc(cc1CN2C(=O)c3ccccc3C2=O)C4Nc5ccccc5C(=O)N4Cc6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N16 compound treatment 0.328 -0.022 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972160 ChemDiv1_003822 COc1ccc(cc1COc2ccccc2C)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N17 compound treatment 0.368 0.018 1.0 0.377 0.027 1.0 -1.0 -1.0 1972161 ChemDiv1_003823 CCOC(=O)c1ccccc1OCc2cc(ccc2OC)C3Nc4ccccc4C(=O)N3c5cccc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N18 compound treatment 0.332 -0.018 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972162 ChemDiv1_003824 COc1ccc(Br)cc1C2C(=C(N)Oc3c2c(C)nn3c4ccccc4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N19 compound treatment 0.359 0.009 1.0 0.355 0.005 1.0 -1.0 -1.0 1972163 ChemDiv1_003825 O=C1C2CCC3(CC2C(=O)N1Cc4ccccc4)OCCO3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N20 compound treatment 0.353 0.003 1.0 0.35 0.0 -1.0 -1.0 -1.0 1282289 ChemDiv1_003826 CCCOc1ccc(cc1OC)C2C(=C(N)Oc3c2c(=O)oc4ccccc34)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N21 compound treatment 0.332 -0.018 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1724806 ChemDiv1_003827 O=C1N(CCCc2nc3ccccc3c(=O)n2Cc4ccccc4)C(=O)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N22 compound treatment 0.336 -0.014 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1463713 ChemDiv1_003828 Clc1ccc(C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCCC5)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 N24 positive control 0.086 -0.264 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O01 compound treatment 0.357 0.007 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972164 ChemDiv1_003829 CC(=O)c1cccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O02 compound treatment 0.334 -0.016 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972165 ChemDiv1_003830 CC(C)(C)c1ccc(Oc2c(oc3c(CN4CCOCC4)c(O)ccc3c2=O)C(F)(F)F)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O03 compound treatment 0.397 0.047 1.0 0.377 0.027 1.0 -1.0 -1.0 1222174 ChemDiv1_003831 CCOC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccc(OC)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O04 compound treatment 0.333 -0.017 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1947746 ChemDiv1_003832 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(OC)cc2)C(=O)Nc3ccccc3C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O05 compound treatment 0.368 0.018 1.0 0.351 0.001 1.0 -1.0 -1.0 1156086 ChemDiv1_003833 CCCCC(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(OC)cc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O06 compound treatment 0.378 0.028 1.0 0.365 0.015 1.0 -1.0 -1.0 1267091 ChemDiv1_003834 CCOc1cc(ccc1OC(=O)C)C2C(=C(C)NC3=C2C(=O)CC(C3)c4ccc(OC)cc4)C(=O)OC(C)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O07 compound treatment 0.362 0.012 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1972166 ChemDiv1_003835 CC(C)C(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(Br)s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O08 compound treatment 0.378 0.028 1.0 0.373 0.023 1.0 -1.0 -1.0 1972167 ChemDiv1_003836 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O09 compound treatment 0.362 0.012 1.0 0.353 0.003 1.0 -1.0 -1.0 1623516 ChemDiv1_003837 COc1ccc(cc1OC)C2N(C(=O)Cc3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O10 compound treatment 0.363 0.013 1.0 0.351 0.001 1.0 -1.0 -1.0 1972168 ChemDiv1_003838 COc1cc(OC)cc(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O11 compound treatment 0.354 0.004 1.0 0.352 0.002 1.0 -1.0 -1.0 1440060 ChemDiv1_003839 CCOc1cc(ccc1OC(=O)C)C2N(C(=O)C)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O12 compound treatment 0.346 -0.004 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1425465 ChemDiv1_003840 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)c4cccnc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O13 compound treatment 0.479 0.129 1.0 0.42 0.07 1.0 -1.0 -1.0 1783841 ChemDiv1_003841 CC1(C)CC(=O)C2=C(C1)Nc3ccccc3NC2c4ccc(o4)c5ccc(cc5Cl)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O14 compound treatment 0.37 0.02 1.0 0.377 0.027 1.0 -1.0 -1.0 1672961 ChemDiv1_003842 CCOc1cc(ccc1OC(=O)C)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O15 compound treatment 0.358 0.008 1.0 0.353 0.003 1.0 -1.0 -1.0 1512562 ChemDiv1_003843 CCOc1ccccc1C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O16 compound treatment 0.344 -0.006 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1927506 ChemDiv1_003844 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3F)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O17 compound treatment 0.351 0.001 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1373677 ChemDiv1_003845 COc1cc(cc(OC)c1OC)C2N(C(=O)c3ccccc3)c4ccccc4NC5=C2C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O18 compound treatment 0.347 -0.003 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972169 ChemDiv1_003846 Cc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c(C)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O19 compound treatment 0.335 -0.015 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1948568 ChemDiv1_003847 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)Nc3ccccc3C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O20 compound treatment 0.351 0.001 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1500574 ChemDiv1_003848 Cc1ccc(cc1)N2C(=O)CC(Sc3nc4CCCc4cc3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O21 compound treatment 0.343 -0.007 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972170 ChemDiv1_003849 COc1cc(ccc1OCc2ccc(Cl)cc2)C(=O)Nc3ccc(c4nc5ccccc5s4)c(O)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O22 compound treatment 0.346 -0.004 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1697087 ChemDiv1_003850 O=c1n(c2ccccc2)c(=S)[nH]c3sc4CCCc4c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 O24 positive control 0.091 -0.259 -1.0 0.094 -0.256 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P01 compound treatment 0.371 0.021 1.0 0.366 0.016 1.0 -1.0 -1.0 1972171 ChemDiv1_003851 COc1ccc(/C=C(\C#N)/C(=O)Nn2c(nc3ccccc3c2=O)c4cc(OC)cc(OC)c4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P02 compound treatment 0.374 0.024 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1707355 ChemDiv1_003852 CCc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4ccc(cc4)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P03 compound treatment 0.352 0.002 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1467969 ChemDiv1_003853 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P04 compound treatment 0.373 0.023 1.0 0.36 0.01 1.0 -1.0 -1.0 1206674 ChemDiv1_003854 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2OC(=O)c4cc(Cl)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P05 compound treatment 0.448 0.098 1.0 0.423 0.073 1.0 -1.0 -1.0 1118146 ChemDiv1_003855 COc1cc(cc(OC)c1OC)C2Nc3ccc(cc3NC4=C2C(=O)CCC4)C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P06 compound treatment 0.389 0.039 1.0 0.367 0.017 1.0 -1.0 -1.0 1924167 ChemDiv1_003856 COc1ccccc1c2c(oc3c(CN4CCOCC4)c(O)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P07 compound treatment 0.388 0.038 1.0 0.383 0.033 1.0 -1.0 -1.0 1517667 ChemDiv1_003857 COc1ccc(cc1COc2ccc(F)cc2)C3Nc4ccccc4C(=O)N3c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P08 compound treatment 0.358 0.008 1.0 0.358 0.008 1.0 -1.0 -1.0 1972172 ChemDiv1_003858 CCOC(=O)C1=C(CCl)OC(=C(C#N)C1c2ccccc2F)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P09 compound treatment 0.366 0.016 1.0 0.371 0.021 1.0 -1.0 -1.0 1473601 ChemDiv1_003859 COc1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccc(OC)c(CSc5ccccn5)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P10 compound treatment 0.368 0.018 1.0 0.393 0.043 1.0 -1.0 -1.0 1972173 ChemDiv1_003860 CCCCOc1ccc(cc1OC)C2C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P11 compound treatment 0.49 0.14 1.0 0.465 0.115 1.0 -1.0 -1.0 1612531 ChemDiv1_003861 COc1ccc(cc1COc2ccc(NC(=O)C)cc2)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P12 compound treatment 0.379 0.029 1.0 0.376 0.026 1.0 -1.0 -1.0 1505633 ChemDiv1_003862 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccccc3OCc4ccc(Cl)cc4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P13 compound treatment 0.427 0.077 1.0 0.401 0.051 1.0 -1.0 -1.0 1424987 ChemDiv1_003863 COc1ccc(cc1COc2ccccc2F)C3Nc4ccccc4C(=O)N3c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P14 compound treatment 0.431 0.081 1.0 0.419 0.069 1.0 -1.0 -1.0 1972174 ChemDiv1_003864 COc1ccc(cc1COc2ccc(F)cc2)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P15 compound treatment 0.354 0.004 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1434459 ChemDiv1_003865 COc1ccc(cc1CSc2nc3ccccc3s2)C4Nc5ccccc5C(=O)N4Cc6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P16 compound treatment 0.354 0.004 1.0 0.352 0.002 1.0 -1.0 -1.0 1972175 ChemDiv1_003866 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(o3)c4cc(ccc4Cl)[N+](=O)[O-])N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P17 compound treatment 0.427 0.077 1.0 0.442 0.092 1.0 -1.0 -1.0 1348575 ChemDiv1_003867 COc1cccc(OCc2cc(ccc2OC)C3Nc4ccccc4C(=O)N3c5cccc6ccccc56)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P18 compound treatment 0.354 0.004 1.0 0.358 0.008 1.0 -1.0 -1.0 1972176 ChemDiv1_003868 CCOC(=O)C1=C(OC(=C(C#N)C1c2ccc(cc2)C(F)(F)F)N)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P19 compound treatment 0.364 0.014 1.0 0.359 0.009 1.0 -1.0 -1.0 1366774 ChemDiv1_003869 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(O)c(OC)c3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P20 compound treatment 0.363 0.013 1.0 0.357 0.007 1.0 -1.0 -1.0 1398782 ChemDiv1_003870 CCOC(=O)C1=C(N)OC2=C(C1c3ccc(OCc4ccccc4)cc3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P21 compound treatment 0.334 -0.016 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1263674 ChemDiv1_003871 O=C1N(CCCc2nc3ccccc3c(=O)n2CCCn4ccnc4)C(=O)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P22 compound treatment 0.368 0.018 1.0 0.373 0.023 1.0 -1.0 -1.0 1784338 ChemDiv1_003872 [O-][N+](=O)c1cccc(c1)C2Nc3c(cccc3C4C=CCC42)C(=O)N5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.597 P24 positive control 0.093 -0.257 -1.0 0.099 -0.251 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A01 compound treatment 0.364 0.014 1.0 0.379 0.029 1.0 -1.0 -1.0 1463327 ChemDiv1_003873 CC(NC(=O)c1ccc2OCCOc2c1)C3(CC4CC5CC(C4)C3)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A02 compound treatment 0.35 0.0 -1.0 0.357 0.007 1.0 -1.0 -1.0 1723746 ChemDiv1_003874 COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4)c1OCc5ccccc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A03 compound treatment 0.363 0.013 1.0 0.37 0.02 1.0 -1.0 -1.0 1563473 ChemDiv1_003875 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A04 compound treatment 0.341 -0.009 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1949072 ChemDiv1_003876 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(F)c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A05 compound treatment 0.344 -0.006 -1.0 0.354 0.004 1.0 -1.0 -1.0 1972177 ChemDiv1_003877 Cc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OCc6ccccc6)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A06 compound treatment 0.335 -0.015 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972178 ChemDiv1_003878 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(Cl)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A07 compound treatment 0.339 -0.011 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972179 ChemDiv1_003879 CC(C)(C)c1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A08 compound treatment 0.34 -0.01 -1.0 0.353 0.003 1.0 -1.0 -1.0 1924438 ChemDiv1_003880 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccccc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A09 compound treatment 0.348 -0.002 -1.0 0.362 0.012 1.0 -1.0 -1.0 1972180 ChemDiv1_003881 Brc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OC(=O)c6ccccc6)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A10 compound treatment 0.335 -0.015 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1729280 ChemDiv1_003882 CC(=O)Nc1ccc(cc1)c2nc(nc3ccccc23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A11 compound treatment 0.362 0.012 1.0 0.385 0.035 1.0 -1.0 -1.0 1438346 ChemDiv1_003883 CCOc1cc(ccc1OC(=O)C2CC2)C3Nc4ccccc4NC5=C3C(=O)CC(C5)c6ccc(OC)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A12 compound treatment 0.345 -0.005 -1.0 0.359 0.009 1.0 -1.0 -1.0 1331516 ChemDiv1_003884 CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2C1c5ccc(OC)cc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A13 compound treatment 0.352 0.002 1.0 0.371 0.021 1.0 -1.0 -1.0 1339658 ChemDiv1_003885 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(Br)s5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A14 compound treatment 0.406 0.056 1.0 0.409 0.059 1.0 -1.0 -1.0 1972181 ChemDiv1_003886 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)cc3Br)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A15 compound treatment 0.369 0.019 1.0 0.385 0.035 1.0 -1.0 -1.0 1924588 ChemDiv1_003887 Brc1cc2OCOc2cc1C3Nc4ccccc4NC5=C3C(=O)CC(C5)c6ccc7OCOc7c6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A16 compound treatment 0.339 -0.011 -1.0 0.356 0.006 1.0 -1.0 -1.0 1471125 ChemDiv1_003888 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(OC)cc2)C(=O)Nc3ccccc3C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A17 compound treatment 0.333 -0.017 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1929185 ChemDiv1_003889 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)N)C)cc(Cl)c1OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A18 compound treatment 0.34 -0.01 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1163079 ChemDiv1_003890 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5coc6ccccc6c5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A19 compound treatment 0.34 -0.01 -1.0 0.354 0.004 1.0 -1.0 -1.0 1972182 ChemDiv1_003891 CCOC(=O)COc1ccc(Br)cc1C=C2C(=O)NC(=O)NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A20 compound treatment 0.328 -0.022 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972183 ChemDiv1_003892 COc1ccc(Br)c(c1)C(=O)On2c(nc3ccccc3c2=O)c4cc(OC)cc(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A21 compound treatment 0.377 0.027 1.0 0.38 0.03 1.0 -1.0 -1.0 1972184 ChemDiv1_003893 COc1cc(ccc1OCC(=O)Nc2ccc3OCOc3c2)C4C5=C(CC(C)(C)CC5=O)OC6=C4C(=O)CC(C)(C)C6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A22 compound treatment 0.34 -0.01 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972185 ChemDiv1_003894 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc(Br)ccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 A24 positive control 0.078 -0.272 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B01 compound treatment 0.372 0.022 1.0 0.4 0.05 1.0 -1.0 -1.0 1972186 ChemDiv1_003895 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OS(=O)(=O)c3ccccc3[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B02 compound treatment 0.329 -0.021 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1925285 ChemDiv1_003896 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6cccs6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B03 compound treatment 0.327 -0.023 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1929108 ChemDiv1_003897 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B04 compound treatment 0.338 -0.012 -1.0 0.352 0.002 1.0 -1.0 -1.0 1972187 ChemDiv1_003898 COc1cc(cc(OC)c1OC)C2CC(n3ncc(C(=O)N4CCN(CC4)C(c5ccccc5)c6ccccc6)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B05 compound treatment 0.329 -0.021 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1929184 ChemDiv1_003899 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2OS(=O)(=O)c3ccc(C)cc3)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B06 compound treatment 0.348 -0.002 -1.0 0.365 0.015 1.0 -1.0 -1.0 1972188 ChemDiv1_003900 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)Nc3sc4CCCCc4c3C#N)c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B07 compound treatment 0.284 -0.066 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1948721 ChemDiv1_003901 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B08 compound treatment 0.359 0.009 1.0 0.384 0.034 1.0 -1.0 -1.0 1925250 ChemDiv1_003902 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)N3CCN(CC3)C(=O)c4ccccc4)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B09 compound treatment 0.336 -0.014 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1379236 ChemDiv1_003903 CC1CCCN(CN2C(=O)C3(OCCO3)c4ccccc24)C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B10 compound treatment 0.335 -0.015 -1.0 0.39 0.04 1.0 -1.0 -1.0 1972189 ChemDiv1_003904 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B11 compound treatment 0.328 -0.022 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972190 ChemDiv1_003905 Fc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)c3ccc(Cl)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B12 compound treatment 0.364 0.014 1.0 0.409 0.059 1.0 -1.0 -1.0 1972191 ChemDiv1_003906 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)N3CCN(CC3)C(=O)c4ccccc4)c5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B13 compound treatment 0.333 -0.017 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972192 ChemDiv1_003907 CC1CCc2c(C(=O)N)c(NC(=O)c3cc4nc(cc(n4n3)C(F)(F)F)c5ccco5)sc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B14 compound treatment 0.353 0.003 1.0 0.369 0.019 1.0 -1.0 -1.0 1972193 ChemDiv1_003908 Cc1ccc(cc1)C2CC(n3nc(C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B15 compound treatment 0.338 -0.012 -1.0 0.366 0.016 1.0 -1.0 -1.0 1972194 ChemDiv1_003909 Cc1ccc(cc1)c2cc(n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B16 compound treatment 0.34 -0.01 -1.0 0.372 0.022 1.0 -1.0 -1.0 1930326 ChemDiv1_003910 COc1ccc(cc1OC)C2CC(n3nc(C(=O)NCc4cccs4)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B17 compound treatment 0.327 -0.023 -1.0 0.361 0.011 1.0 -1.0 -1.0 1972195 ChemDiv1_003911 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)Nc3ccc(Cl)cc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B18 compound treatment 0.338 -0.012 -1.0 0.355 0.005 1.0 -1.0 -1.0 1972196 ChemDiv1_003912 Cc1ccc(cc1)C2CC(n3ncc(C(=O)Nc4cc(Sc5ccc(Br)cc5)cc(c4)[N+](=O)[O-])c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B19 compound treatment 0.343 -0.007 -1.0 0.365 0.015 1.0 -1.0 -1.0 1924548 ChemDiv1_003913 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)c(OC)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B20 compound treatment 0.33 -0.02 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972197 ChemDiv1_003914 O=C(N1CCOCC1)c2ccc(NS(=O)(=O)c3ccc4C(=O)c5ccccc5C(=O)c4c3)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B21 compound treatment 0.349 -0.001 -1.0 0.382 0.032 1.0 -1.0 -1.0 1930258 ChemDiv1_003915 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B22 compound treatment 0.332 -0.018 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1446667 ChemDiv1_003916 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3)c(=O)n2C1c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 B24 positive control 0.077 -0.273 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C01 compound treatment 0.369 0.019 1.0 0.373 0.023 1.0 -1.0 -1.0 1175574 ChemDiv1_003917 CCOc1cccc(c1)C(=O)Nc2cc(ccc2Cl)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C02 compound treatment 0.344 -0.006 -1.0 0.357 0.007 1.0 -1.0 -1.0 1611526 ChemDiv1_003918 COc1cc(C=c2sc3nc4ccccc4n3c2=O)c(Br)cc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C03 compound treatment 0.319 -0.031 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1222832 ChemDiv1_003919 O=C(CSc1nc2ccccc2s1)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C04 compound treatment 0.331 -0.019 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1924433 ChemDiv1_003920 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C05 compound treatment 0.322 -0.028 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972198 ChemDiv1_003921 CCCCCOc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C06 compound treatment 0.333 -0.017 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1972199 ChemDiv1_003922 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C07 compound treatment 0.366 0.016 1.0 0.385 0.035 1.0 -1.0 -1.0 1972200 ChemDiv1_003923 Clc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C08 compound treatment 0.337 -0.013 -1.0 0.353 0.003 1.0 -1.0 -1.0 1924587 ChemDiv1_003924 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(OC)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C09 compound treatment 0.338 -0.012 -1.0 0.369 0.019 1.0 -1.0 -1.0 1972201 ChemDiv1_003925 Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C3Oc4ccccc4C5CC(=NN53)c6ccc(C)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C10 compound treatment 0.342 -0.008 -1.0 0.377 0.027 1.0 -1.0 -1.0 1156448 ChemDiv1_003926 CC(=O)Nc1ccc(cc1)c2nc(c3ccccc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C11 compound treatment 0.343 -0.007 -1.0 0.361 0.011 1.0 -1.0 -1.0 1284246 ChemDiv1_003927 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(O)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C12 compound treatment 0.334 -0.016 -1.0 0.366 0.016 1.0 -1.0 -1.0 1972202 ChemDiv1_003928 COc1cc(/C=C/2\Sc3ccccc3C2=O)cc(Cl)c1OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C13 compound treatment 0.354 0.004 1.0 0.374 0.024 1.0 -1.0 -1.0 1674807 ChemDiv1_003929 CCOc1ccc(cc1)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C14 compound treatment 0.387 0.037 1.0 0.399 0.049 1.0 -1.0 -1.0 1972203 ChemDiv1_003930 COc1cc(Br)c(cc1OC)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCCOc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C15 compound treatment 0.343 -0.007 -1.0 0.364 0.014 1.0 -1.0 -1.0 1972204 ChemDiv1_003931 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(cc5)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C16 compound treatment 0.336 -0.014 -1.0 0.353 0.003 1.0 -1.0 -1.0 1145640 ChemDiv1_003932 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2F)C(=O)Nc3ccc(OC)cc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C17 compound treatment 0.549 0.199 1.0 0.564 0.214 1.0 -1.0 -1.0 1947191 ChemDiv1_003933 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccc(Cl)c(c3)C(=O)O)c4cccc(c4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C18 compound treatment 0.36 0.01 1.0 0.384 0.034 1.0 -1.0 -1.0 1948720 ChemDiv1_003934 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc6OCOc6cc5[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C19 compound treatment 0.347 -0.003 -1.0 0.364 0.014 1.0 -1.0 -1.0 1972205 ChemDiv1_003935 COc1cc(/C=C/2\Sc3ccccc3C2=O)cc(Br)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C20 compound treatment 0.335 -0.015 -1.0 0.358 0.008 1.0 -1.0 -1.0 1972206 ChemDiv1_003936 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc(c(Br)c4C)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C21 compound treatment 0.343 -0.007 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1229431 ChemDiv1_003937 Cn1cnnc1Sc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C22 compound treatment 0.339 -0.011 -1.0 0.352 0.002 1.0 -1.0 -1.0 1972207 ChemDiv1_003938 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc(c(Br)c4C)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 C24 positive control 0.081 -0.269 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D01 compound treatment 0.386 0.036 1.0 0.394 0.044 1.0 -1.0 -1.0 1927707 ChemDiv1_003939 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCSc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D02 compound treatment 0.335 -0.015 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972208 ChemDiv1_003940 CCOc1ccc(Oc2cc(NC(=O)c3cnn4C(CC(Nc34)c5cccs5)C(F)(F)F)cc(c2)[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D03 compound treatment 0.312 -0.038 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972209 ChemDiv1_003941 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3cccc(C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D04 compound treatment 0.342 -0.008 -1.0 0.364 0.014 1.0 -1.0 -1.0 1924328 ChemDiv1_003942 COc1cc(cc(OC)c1OC)C2CC(n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D05 compound treatment 0.268 -0.082 -1.0 0.294 -0.056 -1.0 -1.0 -1.0 1949044 ChemDiv1_003943 CC(C)(C)c1ccc(OCCOc2ccccc2C=C3C(=O)NC(=S)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D06 compound treatment 0.317 -0.033 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1924440 ChemDiv1_003944 CCOC(=O)c1sc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc5OCOc5c4)c(C(=O)OCC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D07 compound treatment 0.319 -0.031 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1925375 ChemDiv1_003945 CCOC(=O)CSCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D08 compound treatment 0.363 0.013 1.0 0.372 0.022 1.0 -1.0 -1.0 1924351 ChemDiv1_003946 COc1ccccc1N2CCN(CC2)C(=O)c3cnn4C(CC(Nc34)c5ccc(Br)cc5)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D09 compound treatment 0.32 -0.03 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1489354 ChemDiv1_003947 Cc1ccc(cc1Cl)N2C(=O)CSC23C(=O)Nc4ccccc43 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D10 compound treatment 0.316 -0.034 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1972210 ChemDiv1_003948 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)Nc3sc4CCCCc4c3C#N)c5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D11 compound treatment 0.33 -0.02 -1.0 0.396 0.046 1.0 -1.0 -1.0 1709596 ChemDiv1_003949 COc1cccc(c1)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D12 compound treatment 0.328 -0.022 -1.0 0.363 0.013 1.0 -1.0 -1.0 1972211 ChemDiv1_003950 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccco4)C(F)(F)F)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D13 compound treatment 0.329 -0.021 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972212 ChemDiv1_003951 CC(C)OC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)sc3CC(C)CCc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D14 compound treatment 0.364 0.014 1.0 0.374 0.024 1.0 -1.0 -1.0 1972213 ChemDiv1_003952 COc1ccc(cc1OC)C2CC(n3nc(C(=O)Nc4ccc(cc4)C(C)O)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D15 compound treatment 0.337 -0.013 -1.0 0.359 0.009 1.0 -1.0 -1.0 1972214 ChemDiv1_003953 COc1ccc(cc1OC)c2cc(n3nc(C(=O)NCc4cccnc4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D16 compound treatment 0.337 -0.013 -1.0 0.376 0.026 1.0 -1.0 -1.0 1930322 ChemDiv1_003954 COc1ccc(cc1OC)C2CC(n3nc(C(=O)Nc4ccc5OCOc5c4)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D17 compound treatment 0.315 -0.035 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972215 ChemDiv1_003955 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)Nc3cccc(Cl)c3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D18 compound treatment 0.323 -0.027 -1.0 0.355 0.005 1.0 -1.0 -1.0 1972216 ChemDiv1_003956 Cc1c(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(C)cc4)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D19 compound treatment 0.33 -0.02 -1.0 0.368 0.018 1.0 -1.0 -1.0 1930345 ChemDiv1_003957 COc1ccc(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D20 compound treatment 0.327 -0.023 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1621854 ChemDiv1_003958 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D21 compound treatment 0.337 -0.013 -1.0 0.367 0.017 1.0 -1.0 -1.0 1924463 ChemDiv1_003959 Fc1ccc(cc1)N2CCN(CC2)C(=O)c3nn4C(CC(Nc4c3Cl)c5cccs5)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D22 compound treatment 0.338 -0.012 -1.0 0.351 0.001 1.0 -1.0 -1.0 1602163 ChemDiv1_003960 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3OC(=O)C)c(=O)n2C1c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 D24 positive control 0.079 -0.271 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E01 compound treatment 0.32 -0.03 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1277264 ChemDiv1_003961 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2cccc(c3nc4ccccc4s3)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E02 compound treatment 0.344 -0.006 -1.0 0.368 0.018 1.0 -1.0 -1.0 1385254 ChemDiv1_003962 COc1ccc(OC)c(Nc2nc3nonc3nc2Nc4cccc(Br)c4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E03 compound treatment 0.353 0.003 1.0 0.38 0.03 1.0 -1.0 -1.0 1494085 ChemDiv1_003963 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E04 compound treatment 0.323 -0.027 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1924459 ChemDiv1_003964 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2F)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E05 compound treatment 0.327 -0.023 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972217 ChemDiv1_003965 COc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OCc6ccccc6)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E06 compound treatment 0.31 -0.04 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1925598 ChemDiv1_003966 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2cccs2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E07 compound treatment 0.354 0.004 1.0 0.389 0.039 1.0 -1.0 -1.0 1607679 ChemDiv1_003967 CCOc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5cccc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E08 compound treatment 0.336 -0.014 -1.0 0.354 0.004 1.0 -1.0 -1.0 1972218 ChemDiv1_003968 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E09 compound treatment 0.336 -0.014 -1.0 0.367 0.017 1.0 -1.0 -1.0 1972219 ChemDiv1_003969 Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C3Oc4ccccc4C5CC(=NN53)c6ccc(Cl)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E10 compound treatment 0.336 -0.014 -1.0 0.387 0.037 1.0 -1.0 -1.0 1230466 ChemDiv1_003970 CC(=O)Nc1cccc(c1)c2nc(nc3ccccc23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E11 compound treatment 0.337 -0.013 -1.0 0.363 0.013 1.0 -1.0 -1.0 1216946 ChemDiv1_003971 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(O)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E12 compound treatment 0.358 0.008 1.0 0.365 0.015 1.0 -1.0 -1.0 1496354 ChemDiv1_003972 CC1CCN(CC1)c2nc(NCc3cccnc3)nc(n2)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E13 compound treatment 0.354 0.004 1.0 0.378 0.028 1.0 -1.0 -1.0 1297290 ChemDiv1_003973 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5coc6ccc(C)cc6c5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E14 compound treatment 0.342 -0.008 -1.0 0.372 0.022 1.0 -1.0 -1.0 1165062 ChemDiv1_003974 CCOC(=O)C1=C(C)NC2=C(C1c3ccc(OC)cc3OC)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E15 compound treatment 0.328 -0.022 -1.0 0.358 0.008 1.0 -1.0 -1.0 1674241 ChemDiv1_003975 CCOc1ccccc1C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E16 compound treatment 0.336 -0.014 -1.0 0.357 0.007 1.0 -1.0 -1.0 1924592 ChemDiv1_003976 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccs2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E17 compound treatment 0.318 -0.032 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1972220 ChemDiv1_003977 CCOC(=O)c1cc(ccc1Cl)c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(c4)C(=O)O)C)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E18 compound treatment 0.32 -0.03 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1606919 ChemDiv1_003978 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2OC(=O)c4cc(C)c(C)cc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E19 compound treatment 0.357 0.007 1.0 0.359 0.009 1.0 -1.0 -1.0 1972221 ChemDiv1_003979 OC(=O)c1cccc(c1)N2N=C(/C(=C/c3ccc(o3)c4ccc5C(=O)NC(=O)c5c4)/C2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E20 compound treatment 0.335 -0.015 -1.0 0.368 0.018 1.0 -1.0 -1.0 1972222 ChemDiv1_003980 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E21 compound treatment 0.335 -0.015 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972223 ChemDiv1_003981 COc1cc(/C=C/2\Sc3ccccc3C2=O)c(Br)cc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E22 compound treatment 0.336 -0.014 -1.0 0.354 0.004 1.0 -1.0 -1.0 1972224 ChemDiv1_003982 OC(=O)c1n[nH]c(NC(=O)c2ccc(Br)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 E24 positive control 0.084 -0.266 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F01 compound treatment 0.35 0.0 -1.0 0.374 0.024 1.0 -1.0 -1.0 1927496 ChemDiv1_003983 CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F02 compound treatment 0.338 -0.012 -1.0 0.358 0.008 1.0 -1.0 -1.0 1972225 ChemDiv1_003984 [O-][N+](=O)c1cc(NC(=O)c2cnn3C(CC(Nc23)c4ccco4)C(F)(F)F)cc(Oc5ccc6CCCc6c5)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F03 compound treatment 0.288 -0.062 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1972226 ChemDiv1_003985 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccc(C)c(C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F04 compound treatment 0.335 -0.015 -1.0 0.376 0.026 1.0 -1.0 -1.0 1925366 ChemDiv1_003986 COc1cc(NC(=O)c2cnn3C(CC(Nc23)c4cc(OC)c(OC)c(OC)c4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F05 compound treatment 0.319 -0.031 -1.0 0.351 0.001 1.0 -1.0 -1.0 1948826 ChemDiv1_003987 Cc1ccc(OCCOc2ccc(Cl)cc2C=C3C(=O)NC(=S)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F06 compound treatment 0.328 -0.022 -1.0 0.378 0.028 1.0 -1.0 -1.0 1925361 ChemDiv1_003988 COc1cc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(Br)cc4)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F07 compound treatment 0.341 -0.009 -1.0 0.354 0.004 1.0 -1.0 -1.0 1926156 ChemDiv1_003989 CCOC(=O)CSCCOc1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(OC)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F08 compound treatment 0.329 -0.021 -1.0 0.38 0.03 1.0 -1.0 -1.0 1925386 ChemDiv1_003990 COc1cc(NC(=O)c2cnn3C(CC(Nc23)c4ccc(Br)cc4)C(F)(F)F)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F09 compound treatment 0.337 -0.013 -1.0 0.36 0.01 1.0 -1.0 -1.0 1368321 ChemDiv1_003991 O=C1N(CN2CCOCC2)c3ccccc3C41OCCCO4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F10 compound treatment 0.335 -0.015 -1.0 0.354 0.004 1.0 -1.0 -1.0 1972227 ChemDiv1_003992 CCOC(=O)c1c(NC(=O)c2nn3C(CC(Nc3c2Br)c4ccco4)C(F)(F)F)sc5CCCCc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F11 compound treatment 0.334 -0.016 -1.0 0.355 0.005 1.0 -1.0 -1.0 1972228 ChemDiv1_003993 CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc3oc(nc3c2)c4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F12 compound treatment 0.348 -0.002 -1.0 0.37 0.02 1.0 -1.0 -1.0 1925345 ChemDiv1_003994 COc1ccc(cc1)C2CC(n3nc(C(=O)N4CCN(CC4)c5ccc(F)cc5)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F13 compound treatment 0.358 0.008 1.0 0.399 0.049 1.0 -1.0 -1.0 1972229 ChemDiv1_003995 COc1cc(cc(OC)c1OC)c2cc(n3ncc(C(=O)NC4CCCCC4)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F14 compound treatment 0.34 -0.01 -1.0 0.384 0.034 1.0 -1.0 -1.0 1929817 ChemDiv1_003996 COc1ccc(cc1OC)C2CC(n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F15 compound treatment 0.311 -0.039 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972230 ChemDiv1_003997 FC(F)(F)c1c2CCc3ccccc3-c2nc4c(Cl)c(nn14)C(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F16 compound treatment 0.343 -0.007 -1.0 0.364 0.014 1.0 -1.0 -1.0 1972231 ChemDiv1_003998 COc1ccc(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(OC)c(OC)c4)C(F)(F)F)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F17 compound treatment 0.341 -0.009 -1.0 0.359 0.009 1.0 -1.0 -1.0 1931589 ChemDiv1_003999 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)NCCCN3CCOCC3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F18 compound treatment 0.365 0.015 1.0 0.365 0.015 1.0 -1.0 -1.0 1972232 ChemDiv1_004000 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F19 compound treatment 0.322 -0.028 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972233 ChemDiv1_004001 COc1ccc(CNC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F20 compound treatment 0.375 0.025 1.0 0.425 0.075 1.0 -1.0 -1.0 1469829 ChemDiv1_004002 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F21 compound treatment 0.36 0.01 1.0 0.366 0.016 1.0 -1.0 -1.0 1972234 ChemDiv1_004003 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F22 compound treatment 0.331 -0.019 -1.0 0.357 0.007 1.0 -1.0 -1.0 1520971 ChemDiv1_004004 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 F24 positive control 0.081 -0.269 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G01 compound treatment 0.399 0.049 1.0 0.409 0.059 1.0 -1.0 -1.0 1943454 ChemDiv1_004005 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(Cl)c(c2)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G02 compound treatment 0.348 -0.002 -1.0 0.361 0.011 1.0 -1.0 -1.0 1934980 ChemDiv1_004006 Cc1cc(C)n(n1)c2nc3nonc3nc2Nc4cccc(c4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G03 compound treatment 0.348 -0.002 -1.0 0.365 0.015 1.0 -1.0 -1.0 1946967 ChemDiv1_004007 CCOC(=O)CSc1nc2ccc(N)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G04 compound treatment 0.335 -0.015 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1924638 ChemDiv1_004008 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(F)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G05 compound treatment 0.353 0.003 1.0 0.377 0.027 1.0 -1.0 -1.0 1972235 ChemDiv1_004009 COc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G06 compound treatment 0.333 -0.017 -1.0 0.353 0.003 1.0 -1.0 -1.0 1972236 ChemDiv1_004010 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(C)c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G07 compound treatment 0.35 0.0 -1.0 0.376 0.026 1.0 -1.0 -1.0 1972237 ChemDiv1_004011 CCCOc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5cccc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G08 compound treatment 0.332 -0.018 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1972238 ChemDiv1_004012 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G09 compound treatment 0.338 -0.012 -1.0 0.363 0.013 1.0 -1.0 -1.0 1972239 ChemDiv1_004013 Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C3Oc4ccccc4C5CC(=NN53)c6ccc(Br)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G10 compound treatment 0.329 -0.021 -1.0 0.356 0.006 1.0 -1.0 -1.0 1972240 ChemDiv1_004014 O=C(Nc1nc2ccc3ccccc3c2o1)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G11 compound treatment 0.335 -0.015 -1.0 0.366 0.016 1.0 -1.0 -1.0 1147755 ChemDiv1_004015 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Br)c(O)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G12 compound treatment 0.346 -0.004 -1.0 0.418 0.068 1.0 -1.0 -1.0 1692006 ChemDiv1_004016 COc1nc(NCc2ccccc2)nc(NCc3cccnc3)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G13 compound treatment 0.309 -0.041 -1.0 0.374 0.024 1.0 -1.0 -1.0 1972241 ChemDiv1_004017 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cccc(c5)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G14 compound treatment 0.341 -0.009 -1.0 0.393 0.043 1.0 -1.0 -1.0 1302123 ChemDiv1_004018 CCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G15 compound treatment 0.307 -0.043 -1.0 0.421 0.071 1.0 -1.0 -1.0 1445573 ChemDiv1_004019 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5coc6ccc(Cl)cc6c5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G16 compound treatment 0.324 -0.026 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1182604 ChemDiv1_004020 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(SC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G17 compound treatment 0.339 -0.011 -1.0 0.484 0.134 1.0 -1.0 -1.0 1972242 ChemDiv1_004021 CCCOC(=O)c1cc(ccc1Cl)c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(c4)C(=O)O)C)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G18 compound treatment 0.326 -0.024 -1.0 0.354 0.004 1.0 -1.0 -1.0 1972243 ChemDiv1_004022 [O-][N+](=O)c1ccccc1C(=O)On2c(nc3ccccc3c2=O)c4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G19 compound treatment 0.346 -0.004 -1.0 0.361 0.011 1.0 -1.0 -1.0 1972244 ChemDiv1_004023 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccc4C(=O)NC(=O)c4c3)c5cccc(c5)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G20 compound treatment 0.341 -0.009 -1.0 0.419 0.069 1.0 -1.0 -1.0 1972245 ChemDiv1_004024 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G21 compound treatment 0.339 -0.011 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972246 ChemDiv1_004025 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Oc3ccc(cc3C#N)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G22 compound treatment 0.345 -0.005 -1.0 0.363 0.013 1.0 -1.0 -1.0 1229623 ChemDiv1_004026 COc1cc(cc(OC)c1OC)C(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 G24 positive control 0.083 -0.267 -1.0 0.101 -0.249 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H01 compound treatment 0.378 0.028 1.0 0.4 0.05 1.0 -1.0 -1.0 1949048 ChemDiv1_004027 CC(C)(C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H02 compound treatment 0.347 -0.003 -1.0 0.355 0.005 1.0 -1.0 -1.0 1972247 ChemDiv1_004028 CCOC(=O)c1c(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccccc4)sc5CCCc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H03 compound treatment 0.329 -0.021 -1.0 0.358 0.008 1.0 -1.0 -1.0 1972248 ChemDiv1_004029 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H04 compound treatment 0.372 0.022 1.0 0.396 0.046 1.0 -1.0 -1.0 1972249 ChemDiv1_004030 COc1cc(cc(OC)c1OC)C2CC(n3ncc(C(=O)Nc4cc(Oc5ccc(F)cc5)cc(c4)[N+](=O)[O-])c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H05 compound treatment 0.29 -0.06 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1948839 ChemDiv1_004031 Cc1ccc(OCCOc2ccc(Br)cc2C=C3C(=O)NC(=S)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H06 compound treatment 0.332 -0.018 -1.0 0.356 0.006 1.0 -1.0 -1.0 1929838 ChemDiv1_004032 COc1cc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(Br)cc4)cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H07 compound treatment 0.342 -0.008 -1.0 0.366 0.016 1.0 -1.0 -1.0 1972250 ChemDiv1_004033 CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(OC)cc3)ccc1OCCBr 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H08 compound treatment 0.34 -0.01 -1.0 0.378 0.028 1.0 -1.0 -1.0 1972251 ChemDiv1_004034 CC(C)OC(=O)c1c(NC(=O)c2cnn3C(CC(Nc23)c4ccc(Br)cc4)C(F)(F)F)sc5CCCCc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H09 compound treatment 0.35 0.0 -1.0 0.374 0.024 1.0 -1.0 -1.0 1346450 ChemDiv1_004035 OC1(C2CCc3ccccc3C2=O)C(=O)Nc4ccc(Br)cc41 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H10 compound treatment 0.344 -0.006 -1.0 0.415 0.065 1.0 -1.0 -1.0 1972252 ChemDiv1_004036 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)N3CCN(CC3)C(=O)c4ccccc4)c5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H11 compound treatment 0.328 -0.022 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1972253 ChemDiv1_004037 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Br)c4ccccc4)C(F)(F)F)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H12 compound treatment 0.334 -0.016 -1.0 0.4 0.05 1.0 -1.0 -1.0 1925357 ChemDiv1_004038 COc1ccc(cc1)C2CC(n3nc(C(=O)Nc4c(C)n(C)n(c5ccccc5)c4=O)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H13 compound treatment 0.34 -0.01 -1.0 0.413 0.063 1.0 -1.0 -1.0 1972254 ChemDiv1_004039 Cc1nn2c(cc(nc2c1C(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)c5ccc(Cl)cc5)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H14 compound treatment 0.335 -0.015 -1.0 0.432 0.082 1.0 -1.0 -1.0 1972255 ChemDiv1_004040 COc1ccc(cc1OC)C2CC(n3nc(C(=O)Nc4cccnc4Cl)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H15 compound treatment 0.315 -0.035 -1.0 0.368 0.018 1.0 -1.0 -1.0 1925262 ChemDiv1_004041 CCOC(=O)c1sc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4cccs4)c(C(=O)OCC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H16 compound treatment 0.34 -0.01 -1.0 0.366 0.016 1.0 -1.0 -1.0 1972256 ChemDiv1_004042 COc1ccc(cc1OC)C2CC(n3nc(C(=O)Nc4cccc(c4)C(C)O)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H17 compound treatment 0.315 -0.035 -1.0 0.399 0.049 1.0 -1.0 -1.0 1972257 ChemDiv1_004043 Cc1ccc(O)c(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H18 compound treatment 0.334 -0.016 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1930361 ChemDiv1_004044 COc1cc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(Cl)cc4)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H19 compound treatment 0.328 -0.022 -1.0 0.394 0.044 1.0 -1.0 -1.0 1929903 ChemDiv1_004045 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)Nc3ccc4OCOc4c3)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H20 compound treatment 0.337 -0.013 -1.0 0.394 0.044 1.0 -1.0 -1.0 1442665 ChemDiv1_004046 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC(=O)C)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H21 compound treatment 0.346 -0.004 -1.0 0.435 0.085 1.0 -1.0 -1.0 1929948 ChemDiv1_004047 Cc1c(NC(=O)c2nn3C(CC(Nc3c2Cl)c4cccs4)C(F)(F)F)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H22 compound treatment 0.346 -0.004 -1.0 0.414 0.064 1.0 -1.0 -1.0 1296152 ChemDiv1_004048 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)cc3)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 H24 positive control 0.083 -0.267 -1.0 0.099 -0.251 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I01 compound treatment 0.396 0.046 1.0 0.408 0.058 1.0 -1.0 -1.0 1226264 ChemDiv1_004049 COc1ccc(cc1OC)C(=O)Nc2cc(ccc2C)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I02 compound treatment 0.342 -0.008 -1.0 0.37 0.02 1.0 -1.0 -1.0 1500171 ChemDiv1_004050 CCOC(=O)c1ccc(Nc2nc3nonc3nc2NC(C)C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I03 compound treatment 0.385 0.035 1.0 0.405 0.055 1.0 -1.0 -1.0 1972258 ChemDiv1_004051 Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I04 compound treatment 0.333 -0.017 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1924497 ChemDiv1_004052 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccco2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I05 compound treatment 0.339 -0.011 -1.0 0.362 0.012 1.0 -1.0 -1.0 1972259 ChemDiv1_004053 Clc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OCc6ccccc6)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I06 compound treatment 0.34 -0.01 -1.0 0.358 0.008 1.0 -1.0 -1.0 1924502 ChemDiv1_004054 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccccc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I07 compound treatment 0.352 0.002 1.0 0.399 0.049 1.0 -1.0 -1.0 1972260 ChemDiv1_004055 C(Oc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5cccc6ccccc56)c7ccccc7 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I08 compound treatment 0.331 -0.019 -1.0 0.359 0.009 1.0 -1.0 -1.0 1972261 ChemDiv1_004056 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I09 compound treatment 0.34 -0.01 -1.0 0.371 0.021 1.0 -1.0 -1.0 1972262 ChemDiv1_004057 Brc1ccc(cc1)C(=O)Oc2ccc(cc2)C3Oc4ccccc4C5CC(=NN53)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I10 compound treatment 0.343 -0.007 -1.0 0.365 0.015 1.0 -1.0 -1.0 1972263 ChemDiv1_004058 O=C(Nc1nc2c(ccc3ccccc23)o1)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I11 compound treatment 0.351 0.001 1.0 0.369 0.019 1.0 -1.0 -1.0 1948838 ChemDiv1_004059 FC(F)(F)c1ccc(cc1)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I12 compound treatment 0.342 -0.008 -1.0 0.358 0.008 1.0 -1.0 -1.0 1636058 ChemDiv1_004060 COc1nc(NCc2cccnc2)nc(n1)N3CCSCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I13 compound treatment 0.361 0.011 1.0 0.379 0.029 1.0 -1.0 -1.0 1197458 ChemDiv1_004061 CCOc1cccc(c1)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I14 compound treatment 0.325 -0.025 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1128810 ChemDiv1_004062 CCOc1cc(cc(Br)c1O)C2NC(=O)N(C)C(=C2C(=O)OCCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I15 compound treatment 0.377 0.027 1.0 0.396 0.046 1.0 -1.0 -1.0 1927336 ChemDiv1_004063 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3cc(ccc3C)[N+](=O)[O-])c4cccc(c4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I16 compound treatment 0.341 -0.009 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1122164 ChemDiv1_004064 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3ccc(OC)cc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I17 compound treatment 0.345 -0.005 -1.0 0.358 0.008 1.0 -1.0 -1.0 1972264 ChemDiv1_004065 CCOC(=O)c1cccc(c1)c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(c4)C(=O)O)C)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I18 compound treatment 0.34 -0.01 -1.0 0.36 0.01 1.0 -1.0 -1.0 1972265 ChemDiv1_004066 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2OC(=O)/C=C/c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I19 compound treatment 0.292 -0.058 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1946395 ChemDiv1_004067 NS(=O)(=O)c1ccc(cc1)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I20 compound treatment 0.342 -0.008 -1.0 0.357 0.007 1.0 -1.0 -1.0 1972266 ChemDiv1_004068 [O-][N+](=O)c1ccc(C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I21 compound treatment 0.35 0.0 -1.0 0.373 0.023 1.0 -1.0 -1.0 1317134 ChemDiv1_004069 CC1CCN(CC1)c2nc3nonc3nc2Nc4cccc(C)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I22 compound treatment 0.349 -0.001 -1.0 0.36 0.01 1.0 -1.0 -1.0 1599323 ChemDiv1_004070 Brc1ccc(OCc2nnc(NC(=O)C3(CC4CC5CC(C4)C3)C5)s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 I24 positive control 0.086 -0.264 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J01 compound treatment 0.361 0.011 1.0 0.37 0.02 1.0 -1.0 -1.0 1972267 ChemDiv1_004071 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc3ccc(cc3)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J02 compound treatment 0.357 0.007 1.0 0.37 0.02 1.0 -1.0 -1.0 1972268 ChemDiv1_004072 CC(C)(C)C1CCc2c(C(=O)N)c(NC(=O)c3cc4NC(CC(n4n3)C(F)(F)F)c5ccco5)sc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J03 compound treatment 0.317 -0.033 -1.0 0.353 0.003 1.0 -1.0 -1.0 1925364 ChemDiv1_004073 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCCOc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J04 compound treatment 0.351 0.001 1.0 0.368 0.018 1.0 -1.0 -1.0 1972269 ChemDiv1_004074 CCOC(=O)c1c(NC(=O)c2cnn3C(CC(Nc23)c4ccc5OCOc5c4)C(F)(F)F)sc6CCCc16 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J05 compound treatment 0.341 -0.009 -1.0 0.369 0.019 1.0 -1.0 -1.0 1925297 ChemDiv1_004075 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J06 compound treatment 0.359 0.009 1.0 0.386 0.036 1.0 -1.0 -1.0 1925323 ChemDiv1_004076 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)Nc3ccc(Cl)c(Cl)c3)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J07 compound treatment 0.331 -0.019 -1.0 0.401 0.051 1.0 -1.0 -1.0 1972270 ChemDiv1_004077 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3ccc(OCCBr)cc3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J08 compound treatment 0.368 0.018 1.0 0.396 0.046 1.0 -1.0 -1.0 1972271 ChemDiv1_004078 CC(C)c1ccc(C)cc1Oc2cc(NC(=O)c3cnn4C(CC(Nc34)c5ccc(Br)cc5)C(F)(F)F)cc(c2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J09 compound treatment 0.346 -0.004 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972272 ChemDiv1_004079 Cc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3F)CC2)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J10 compound treatment 0.341 -0.009 -1.0 0.377 0.027 1.0 -1.0 -1.0 1929960 ChemDiv1_004080 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)NCCCN3CCOCC3)c4ccc(Cl)c(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J11 compound treatment 0.352 0.002 1.0 0.358 0.008 1.0 -1.0 -1.0 1923564 ChemDiv1_004081 Cc1c(Br)c(nn1CC(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J12 compound treatment 0.352 0.002 1.0 0.385 0.035 1.0 -1.0 -1.0 1924393 ChemDiv1_004082 Fc1ccc(cc1)C2CC(n3nc(C(=O)N4CCN(Cc5ccccc5)CC4)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J13 compound treatment 0.414 0.064 1.0 0.403 0.053 1.0 -1.0 -1.0 1972273 ChemDiv1_004083 COc1ccc(cc1)c2cc(n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J14 compound treatment 0.353 0.003 1.0 0.369 0.019 1.0 -1.0 -1.0 1925358 ChemDiv1_004084 COc1ccc(cc1OC)C2CC(n3nc(C(=O)N4CCN(CC4)c5ccc(F)cc5)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J15 compound treatment 0.315 -0.035 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1929792 ChemDiv1_004085 COc1ccc(cc1)C2CC(n3nc(C(=O)NCc4ccco4)c(Br)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J16 compound treatment 0.357 0.007 1.0 0.355 0.005 1.0 -1.0 -1.0 1930421 ChemDiv1_004086 COc1ccc(cc1OC)C2CC(n3nc(C(=O)Nc4ccc(F)cc4F)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J17 compound treatment 0.339 -0.011 -1.0 0.361 0.011 1.0 -1.0 -1.0 1972274 ChemDiv1_004087 CC(O)c1ccc(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J18 compound treatment 0.337 -0.013 -1.0 0.356 0.006 1.0 -1.0 -1.0 1784167 ChemDiv1_004088 Cc1c(Cl)c(nn1CC(=O)Nc2ccc(Cl)cc2C(=O)c3ccccc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J19 compound treatment 0.338 -0.012 -1.0 0.361 0.011 1.0 -1.0 -1.0 1931606 ChemDiv1_004089 CSc1ccccc1NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J20 compound treatment 0.344 -0.006 -1.0 0.358 0.008 1.0 -1.0 -1.0 1416027 ChemDiv1_004090 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(C)c4ccccc34)c(=O)n2C1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J21 compound treatment 0.344 -0.006 -1.0 0.363 0.013 1.0 -1.0 -1.0 1930268 ChemDiv1_004091 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Cl)c4cccs4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J22 compound treatment 0.335 -0.015 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1505306 ChemDiv1_004092 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)C)cc3)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 J24 positive control 0.084 -0.266 -1.0 0.092 -0.258 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K01 compound treatment 0.398 0.048 1.0 0.414 0.064 1.0 -1.0 -1.0 1445027 ChemDiv1_004093 CCOc1ccc(cc1)n2nc3ccc(NC(=O)c4ccc5OCCOc5c4)cc3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K02 compound treatment 0.347 -0.003 -1.0 0.355 0.005 1.0 -1.0 -1.0 1431787 ChemDiv1_004094 CN1CCN(CC1)c2nc3nonc3nc2Nc4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K03 compound treatment 0.324 -0.026 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972275 ChemDiv1_004095 CCCCCCCCOc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K04 compound treatment 0.334 -0.016 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1925666 ChemDiv1_004096 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(OC)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K05 compound treatment 0.333 -0.017 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972276 ChemDiv1_004097 COc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K06 compound treatment 0.324 -0.026 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1924471 ChemDiv1_004098 CCOC(=O)c1c(C)c(sc1NC(=O)CCc2ccccc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K07 compound treatment 0.361 0.011 1.0 0.393 0.043 1.0 -1.0 -1.0 1972277 ChemDiv1_004099 O=C(Oc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccccc5)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K08 compound treatment 0.363 0.013 1.0 0.379 0.029 1.0 -1.0 -1.0 1374228 ChemDiv1_004100 COc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(OC)c(OC)c3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K09 compound treatment 0.339 -0.011 -1.0 0.353 0.003 1.0 -1.0 -1.0 1972278 ChemDiv1_004101 COc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OC(=O)c6ccc(Br)cc6)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K10 compound treatment 0.315 -0.035 -1.0 0.375 0.025 1.0 -1.0 -1.0 1972279 ChemDiv1_004102 CCN(CC)c1ccc(/C=C\2/Sc3c(ccc4ccccc34)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K11 compound treatment 0.366 0.016 1.0 0.381 0.031 1.0 -1.0 -1.0 1655566 ChemDiv1_004103 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(OC)cc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K12 compound treatment 0.337 -0.013 -1.0 0.356 0.006 1.0 -1.0 -1.0 1313445 ChemDiv1_004104 C(Nc1nc(NCc2ccccc2)nc(n1)N3CCOCC3)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K13 compound treatment 0.409 0.059 1.0 0.415 0.065 1.0 -1.0 -1.0 1972280 ChemDiv1_004105 COC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K14 compound treatment 0.359 0.009 1.0 0.377 0.027 1.0 -1.0 -1.0 1972281 ChemDiv1_004106 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc4OCOc4cc3Cl)C(=O)OCCOc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K15 compound treatment 0.405 0.055 1.0 0.412 0.062 1.0 -1.0 -1.0 1972282 ChemDiv1_004107 COc1ccc(c2ccc(/C=C\3/C(=NN(C3=O)c4ccc(cc4)S(=O)(=O)N)C)o2)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K16 compound treatment 0.349 -0.001 -1.0 0.365 0.015 1.0 -1.0 -1.0 1536976 ChemDiv1_004108 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(OC)cc5Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K17 compound treatment 0.477 0.127 1.0 0.49 0.14 1.0 -1.0 -1.0 1972283 ChemDiv1_004109 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccccc3C(=O)O)c4ccc(Cl)c(c4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K18 compound treatment 0.358 0.008 1.0 0.357 0.007 1.0 -1.0 -1.0 1166040 ChemDiv1_004110 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2OC(=O)C4CCC(CC4)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K19 compound treatment 0.389 0.039 1.0 0.413 0.063 1.0 -1.0 -1.0 1972284 ChemDiv1_004111 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccc(C)cc3[N+](=O)[O-])c4ccc(cc4)S(=O)(=O)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K20 compound treatment 0.344 -0.006 -1.0 0.359 0.009 1.0 -1.0 -1.0 1972285 ChemDiv1_004112 [O-][N+](=O)c1ccc(CC(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K21 compound treatment 0.349 -0.001 -1.0 0.365 0.015 1.0 -1.0 -1.0 1291327 ChemDiv1_004113 COc1ccc(OC)c(Nc2nc3nonc3nc2N4CCCC(C)C4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K22 compound treatment 0.34 -0.01 -1.0 0.353 0.003 1.0 -1.0 -1.0 1972286 ChemDiv1_004114 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OS(=O)(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 K24 positive control 0.084 -0.266 -1.0 0.092 -0.258 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L01 compound treatment 0.394 0.044 1.0 0.411 0.061 1.0 -1.0 -1.0 1925377 ChemDiv1_004115 COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccc(cc3)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L02 compound treatment 0.349 -0.001 -1.0 0.355 0.005 1.0 -1.0 -1.0 1972287 ChemDiv1_004116 CCOC(=O)c1c(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccco4)sc5CCCCCc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L03 compound treatment 0.34 -0.01 -1.0 0.371 0.021 1.0 -1.0 -1.0 1972288 ChemDiv1_004117 COc1ccccc1OCCOc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L04 compound treatment 0.369 0.019 1.0 0.377 0.027 1.0 -1.0 -1.0 1972289 ChemDiv1_004118 Cc1c(NC(=O)c2cnn3C(CC(Nc23)c4ccc5OCOc5c4)C(F)(F)F)c(=O)n(c6ccccc6)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L05 compound treatment 0.379 0.029 1.0 0.383 0.033 1.0 -1.0 -1.0 1972290 ChemDiv1_004119 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L06 compound treatment 0.352 0.002 1.0 0.356 0.006 1.0 -1.0 -1.0 1972291 ChemDiv1_004120 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)Nc3ccc(Br)cc3)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L07 compound treatment 0.351 0.001 1.0 0.381 0.031 1.0 -1.0 -1.0 1948686 ChemDiv1_004121 [O-][N+](=O)c1ccc(OCCOc2ccccc2C=C3C(=O)NC(=S)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L08 compound treatment 0.349 -0.001 -1.0 0.367 0.017 1.0 -1.0 -1.0 1972292 ChemDiv1_004122 CN1CCN(CC1)C(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(Br)cc4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L09 compound treatment 0.346 -0.004 -1.0 0.374 0.024 1.0 -1.0 -1.0 1972293 ChemDiv1_004123 Cc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)c3ccc(F)cc3)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L10 compound treatment 0.326 -0.024 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1931602 ChemDiv1_004124 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)Nc3ccc4OCOc4c3)c5ccc(Cl)c(Cl)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L11 compound treatment 0.364 0.014 1.0 0.368 0.018 1.0 -1.0 -1.0 1972294 ChemDiv1_004125 FC(F)(F)c1cc(nc2cc(nn12)C(=O)N3CCN(CC3)c4ccccc4)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L12 compound treatment 0.362 0.012 1.0 0.371 0.021 1.0 -1.0 -1.0 1972295 ChemDiv1_004126 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)NCCCN3CCOCC3)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L13 compound treatment 0.403 0.053 1.0 0.396 0.046 1.0 -1.0 -1.0 1928370 ChemDiv1_004127 COc1ccc(cc1)c2cc(n3nc(C(=O)NCCCn4ccnc4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L14 compound treatment 0.36 0.01 1.0 0.376 0.026 1.0 -1.0 -1.0 1929893 ChemDiv1_004128 COc1ccc(cc1OC)C2CC(n3nc(C(=O)N4CCN(CC4)c5ccccc5)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L15 compound treatment 0.348 -0.002 -1.0 0.364 0.014 1.0 -1.0 -1.0 1972296 ChemDiv1_004129 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)N3CCN(Cc4ccccc4)CC3)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L16 compound treatment 0.368 0.018 1.0 0.391 0.041 1.0 -1.0 -1.0 1925296 ChemDiv1_004130 COc1cc(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(OC)c(OC)c4)C(F)(F)F)cc(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L17 compound treatment 0.331 -0.019 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972297 ChemDiv1_004131 Fc1ccc(CNC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L18 compound treatment 0.335 -0.015 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1948899 ChemDiv1_004132 Cc1c(Br)c(nn1CC(=O)Nc2ccc(Cl)cc2C(=O)c3ccccc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L19 compound treatment 0.337 -0.013 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972298 ChemDiv1_004133 CC(NC(=O)c1nn2C(CC(Nc2c1Br)c3cccs3)C(F)(F)F)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L20 compound treatment 0.347 -0.003 -1.0 0.362 0.012 1.0 -1.0 -1.0 1286457 ChemDiv1_004134 CCOC(=O)C1=C(C)NC(=O)NC1c2cn(nc2c3ccc(OC)cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L21 compound treatment 0.353 0.003 1.0 0.366 0.016 1.0 -1.0 -1.0 1972299 ChemDiv1_004135 COc1ccc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(OC)c(OC)c4)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L22 compound treatment 0.343 -0.007 -1.0 0.353 0.003 1.0 -1.0 -1.0 1246789 ChemDiv1_004136 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC(=O)C)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 L24 positive control 0.084 -0.266 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M01 compound treatment 0.395 0.045 1.0 0.401 0.051 1.0 -1.0 -1.0 1302769 ChemDiv1_004137 COc1nccnc1NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M02 compound treatment 0.368 0.018 1.0 0.392 0.042 1.0 -1.0 -1.0 1427833 ChemDiv1_004138 Cc1ccc(Nc2nc3nonc3nc2Nc4ccc(O)cc4)cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M03 compound treatment 0.324 -0.026 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972300 ChemDiv1_004139 C(Oc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccccc5)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M04 compound treatment 0.364 0.014 1.0 0.366 0.016 1.0 -1.0 -1.0 1167434 ChemDiv1_004140 CCOc1cc(ccc1OC(=O)C)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M05 compound treatment 0.337 -0.013 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1972301 ChemDiv1_004141 Brc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OCc6ccccc6)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M06 compound treatment 0.327 -0.023 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972302 ChemDiv1_004142 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M07 compound treatment 0.355 0.005 1.0 0.366 0.016 1.0 -1.0 -1.0 1972303 ChemDiv1_004143 Cc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OC(=O)c6ccccc6)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M08 compound treatment 0.375 0.025 1.0 0.386 0.036 1.0 -1.0 -1.0 1508655 ChemDiv1_004144 COc1ccc(cc1)S(=O)(=O)CCc2nnc(NC(=O)c3ccc(cc3)C(C)(C)C)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M09 compound treatment 0.357 0.007 1.0 0.369 0.019 1.0 -1.0 -1.0 1972304 ChemDiv1_004145 Clc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OC(=O)c6ccc(Br)cc6)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M10 compound treatment 0.367 0.017 1.0 0.363 0.013 1.0 -1.0 -1.0 1254762 ChemDiv1_004146 COc1ccc(Cl)cc1C(=O)Nc2ccc(c3nc4cc(Cl)ccc4o3)c(O)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M11 compound treatment 0.394 0.044 1.0 0.412 0.062 1.0 -1.0 -1.0 1151136 ChemDiv1_004147 CCOc1cc(cc(Br)c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M12 compound treatment 0.342 -0.008 -1.0 0.351 0.001 1.0 -1.0 -1.0 1438925 ChemDiv1_004148 C(Nc1nc(nc(n1)N2CCOCC2)N3CCCCC3)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M13 compound treatment 0.405 0.055 1.0 0.424 0.074 1.0 -1.0 -1.0 1232338 ChemDiv1_004149 COC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(OC)c3)C(=O)CC(C2)c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M14 compound treatment 0.356 0.006 1.0 0.372 0.022 1.0 -1.0 -1.0 1972305 ChemDiv1_004150 COC(=O)C1=C(C)NC2=C(C1c3ccc(OC)c(COc4c(F)c(F)c(F)c(F)c4F)c3)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M15 compound treatment 0.334 -0.016 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972306 ChemDiv1_004151 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M16 compound treatment 0.336 -0.014 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1344009 ChemDiv1_004152 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(Cl)cc2)C(=O)Nc3ccc(OC)cc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M17 compound treatment 0.365 0.015 1.0 0.401 0.051 1.0 -1.0 -1.0 1948909 ChemDiv1_004153 CCOc1c(Br)cc(/C=C\2/N=C(\OC2=O)/C=C/c3ccccc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M18 compound treatment 0.346 -0.004 -1.0 0.363 0.013 1.0 -1.0 -1.0 1972307 ChemDiv1_004154 Cc1c(Br)c(nn1CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M19 compound treatment 0.333 -0.017 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1292810 ChemDiv1_004155 Cn1cnnc1Sc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M20 compound treatment 0.355 0.005 1.0 0.354 0.004 1.0 -1.0 -1.0 1972308 ChemDiv1_004156 CCCCOc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4cc(OC)cc(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M21 compound treatment 0.349 -0.001 -1.0 0.366 0.016 1.0 -1.0 -1.0 1283174 ChemDiv1_004157 Fc1ccc(Nc2nc3nonc3nc2N4CCC(Cc5ccccc5)CC4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M22 compound treatment 0.334 -0.016 -1.0 0.362 0.012 1.0 -1.0 -1.0 1972309 ChemDiv1_004158 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OS(=O)(=O)c3ccccc3[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 M24 positive control 0.086 -0.264 -1.0 0.097 -0.253 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N01 compound treatment 0.366 0.016 1.0 0.355 0.005 1.0 -1.0 -1.0 1948965 ChemDiv1_004159 COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N02 compound treatment 0.332 -0.018 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972310 ChemDiv1_004160 CC(C)OC(=O)c1c(C)c(C)sc1NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N03 compound treatment 0.332 -0.018 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1948752 ChemDiv1_004161 CC(C)(C)c1ccc(OCCOc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N04 compound treatment 0.41 0.06 1.0 0.426 0.076 1.0 -1.0 -1.0 1924389 ChemDiv1_004162 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6ccc7OCOc7c6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N05 compound treatment 0.349 -0.001 -1.0 0.385 0.035 1.0 -1.0 -1.0 1972311 ChemDiv1_004163 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3ccc(C)c(C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N06 compound treatment 0.4 0.05 1.0 0.426 0.076 1.0 -1.0 -1.0 1972312 ChemDiv1_004164 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6ccc(Br)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N07 compound treatment 0.355 0.005 1.0 0.365 0.015 1.0 -1.0 -1.0 1972313 ChemDiv1_004165 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccccc3OCCBr)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N08 compound treatment 0.367 0.017 1.0 0.368 0.018 1.0 -1.0 -1.0 1972314 ChemDiv1_004166 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)NCCN3CCOCC3)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N09 compound treatment 0.328 -0.022 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972315 ChemDiv1_004167 CCOc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(F)cc3)CC2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N10 compound treatment 0.388 0.038 1.0 0.407 0.057 1.0 -1.0 -1.0 1925256 ChemDiv1_004168 Cc1c(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4ccc(Cl)c(Cl)c4)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N11 compound treatment 0.396 0.046 1.0 0.404 0.054 1.0 -1.0 -1.0 1972316 ChemDiv1_004169 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)Nc3ccncc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N12 compound treatment 0.385 0.035 1.0 0.393 0.043 1.0 -1.0 -1.0 1925303 ChemDiv1_004170 Cc1c(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(Cl)cc4)C(F)(F)F)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N13 compound treatment 0.347 -0.003 -1.0 0.36 0.01 1.0 -1.0 -1.0 1972317 ChemDiv1_004171 Fc1ccc(cc1)c2cc(n3nc(C(=O)NCc4cccnc4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N14 compound treatment 0.359 0.009 1.0 0.379 0.029 1.0 -1.0 -1.0 1930128 ChemDiv1_004172 COc1ccc(cc1OC)C2CC(n3nc(C(=O)NCCc4ccccc4)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N15 compound treatment 0.368 0.018 1.0 0.381 0.031 1.0 -1.0 -1.0 1972318 ChemDiv1_004173 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)NCCN3CCOCC3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N16 compound treatment 0.374 0.024 1.0 0.384 0.034 1.0 -1.0 -1.0 1925242 ChemDiv1_004174 COc1ccc(cc1OC)C2CC(n3nc(C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N17 compound treatment 0.334 -0.016 -1.0 0.359 0.009 1.0 -1.0 -1.0 1930437 ChemDiv1_004175 COc1ccc(NC(=O)c2nn3C(CC(Nc3c2Br)c4cccs4)C(F)(F)F)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N18 compound treatment 0.344 -0.006 -1.0 0.357 0.007 1.0 -1.0 -1.0 1784170 ChemDiv1_004176 [O-][N+](=O)c1ncn(CC(=O)Nc2ccc(Cl)cc2C(=O)c3ccccc3)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N19 compound treatment 0.347 -0.003 -1.0 0.368 0.018 1.0 -1.0 -1.0 1931586 ChemDiv1_004177 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)N3CCCc4ccccc34)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N20 compound treatment 0.386 0.036 1.0 0.405 0.055 1.0 -1.0 -1.0 1506316 ChemDiv1_004178 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3Cl)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N21 compound treatment 0.351 0.001 1.0 0.375 0.025 1.0 -1.0 -1.0 1935617 ChemDiv1_004179 COc1ccc(cc1)C2CC(n3nc(cc3N2)C(=O)N4CCN(Cc5ccccc5)CC4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N22 compound treatment 0.349 -0.001 -1.0 0.352 0.002 1.0 -1.0 -1.0 1523266 ChemDiv1_004180 CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc34)c(=O)n2C1c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 N24 positive control 0.086 -0.264 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O01 compound treatment 0.405 0.055 1.0 0.409 0.059 1.0 -1.0 -1.0 1650522 ChemDiv1_004181 COc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)nc(OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O02 compound treatment 0.337 -0.013 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1539968 ChemDiv1_004182 COc1ccccc1Nc2nc3nonc3nc2N4CCCCC4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O03 compound treatment 0.323 -0.027 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972319 ChemDiv1_004183 CCCCCOc1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O04 compound treatment 0.333 -0.017 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1924458 ChemDiv1_004184 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O05 compound treatment 0.331 -0.019 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972320 ChemDiv1_004185 CC(C)c1ccc(cc1)C2Oc3ccccc3C4CC(=NN42)c5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O06 compound treatment 0.34 -0.01 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972321 ChemDiv1_004186 CCOC(=O)c1c(C)c(sc1NC(=O)C2(CC3CC4CC(C3)C2)C4)C(=O)Nc5cc(ccc5Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O07 compound treatment 0.356 0.006 1.0 0.354 0.004 1.0 -1.0 -1.0 1972322 ChemDiv1_004187 Clc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(OC(=O)c6ccccc6)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O08 compound treatment 0.39 0.04 1.0 0.364 0.014 1.0 -1.0 -1.0 1364382 ChemDiv1_004188 CC(=O)Nc1ccc(cc1)c2nc(c3ccccc3)c4cc(C)ccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O09 compound treatment 0.346 -0.004 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972323 ChemDiv1_004189 Brc1ccc(cc1)C(=O)Oc2ccc(cc2)C3Oc4ccccc4C5CC(=NN53)c6ccc(Br)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O10 compound treatment 0.417 0.067 1.0 0.423 0.073 1.0 -1.0 -1.0 1387498 ChemDiv1_004190 CCN(CC)c1ccc(cc1)c2nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O11 compound treatment 0.403 0.053 1.0 0.458 0.108 1.0 -1.0 -1.0 1681030 ChemDiv1_004191 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc6OCOc6cc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O12 compound treatment 0.378 0.028 1.0 0.375 0.025 1.0 -1.0 -1.0 1972324 ChemDiv1_004192 CCOCCOC(=O)C1=C(C)NC2=C(C1c3cc(OC)c(OC)cc3Br)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O13 compound treatment 0.389 0.039 1.0 0.407 0.057 1.0 -1.0 -1.0 1156745 ChemDiv1_004193 COc1cc(cc(OC)c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O14 compound treatment 0.384 0.034 1.0 0.387 0.037 1.0 -1.0 -1.0 1738244 ChemDiv1_004194 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O15 compound treatment 0.417 0.067 1.0 0.448 0.098 1.0 -1.0 -1.0 1927357 ChemDiv1_004195 COc1cc(/C=C\2/C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)N)C)cc(Br)c1OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O16 compound treatment 0.391 0.041 1.0 0.4 0.05 1.0 -1.0 -1.0 1924618 ChemDiv1_004196 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(O)c(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O17 compound treatment 0.355 0.005 1.0 0.354 0.004 1.0 -1.0 -1.0 1186943 ChemDiv1_004197 Cn1c(SCc2ccccn2)nc3n(C)c(=O)n(C)c(=O)c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O18 compound treatment 0.349 -0.001 -1.0 0.36 0.01 1.0 -1.0 -1.0 1632083 ChemDiv1_004198 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc(OC)ccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O19 compound treatment 0.359 0.009 1.0 0.373 0.023 1.0 -1.0 -1.0 1972325 ChemDiv1_004199 Cc1cc([N+](=O)[O-])c(cc1Cl)c2ccc(C=c3sc4nc5cc(C)c(C)cc5n4c3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O20 compound treatment 0.351 0.001 1.0 0.363 0.013 1.0 -1.0 -1.0 1972326 ChemDiv1_004200 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc(C)c([N+](=O)[O-])c4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O21 compound treatment 0.351 0.001 1.0 0.363 0.013 1.0 -1.0 -1.0 1532775 ChemDiv1_004201 Clc1ccc(Sc2ccccc2C=c3sc4nc5ccccc5n4c3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O22 compound treatment 0.358 0.008 1.0 0.366 0.016 1.0 -1.0 -1.0 1972327 ChemDiv1_004202 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OS(=O)(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 O24 positive control 0.092 -0.258 -1.0 0.093 -0.257 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P01 compound treatment 0.402 0.052 1.0 0.377 0.027 1.0 -1.0 -1.0 1948343 ChemDiv1_004203 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P02 compound treatment 0.359 0.009 1.0 0.355 0.005 1.0 -1.0 -1.0 1972328 ChemDiv1_004204 COc1ccc(cc1)C2CC(n3ncc(C(=O)Nc4sc5CCCCc5c4C(=O)OC(C)C)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P03 compound treatment 0.324 -0.026 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1949120 ChemDiv1_004205 CC(C)(C)c1ccc(OCCOc2ccccc2C=C3C(=O)NC(=O)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P04 compound treatment 0.366 0.016 1.0 0.372 0.022 1.0 -1.0 -1.0 1972329 ChemDiv1_004206 FC(F)(F)C1CC(Nc2c(cnn12)C(=O)N(Cc3ccccc3)Cc4ccccc4)c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P05 compound treatment 0.419 0.069 1.0 0.426 0.076 1.0 -1.0 -1.0 1972330 ChemDiv1_004207 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3cccc(C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P06 compound treatment 0.44 0.09 1.0 0.443 0.093 1.0 -1.0 -1.0 1972331 ChemDiv1_004208 CCOC(=O)c1c(NC(=O)c2cnn3C(CC(Nc23)c4ccc(Br)cc4)C(F)(F)F)sc5CCCCc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P07 compound treatment 0.405 0.055 1.0 0.415 0.065 1.0 -1.0 -1.0 1949010 ChemDiv1_004209 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P08 compound treatment 0.361 0.011 1.0 0.359 0.009 1.0 -1.0 -1.0 1929910 ChemDiv1_004210 Cc1cc(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(Br)cc4)C(F)(F)F)no1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P09 compound treatment 0.369 0.019 1.0 0.376 0.026 1.0 -1.0 -1.0 1972332 ChemDiv1_004211 Fc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)C(=O)c3ccccc3F)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P10 compound treatment 0.382 0.032 1.0 0.382 0.032 1.0 -1.0 -1.0 1972333 ChemDiv1_004212 Cc1c(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccco4)C(F)(F)F)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P11 compound treatment 0.501 0.151 1.0 0.481 0.131 1.0 -1.0 -1.0 1778417 ChemDiv1_004213 Cc1cc(nc2cc(nn12)C(=O)Nc3cc(Oc4ccc(O)cc4)cc(c3)[N+](=O)[O-])c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P12 compound treatment 0.401 0.051 1.0 0.415 0.065 1.0 -1.0 -1.0 1930318 ChemDiv1_004214 Cc1c(NC(=O)c2nn3C(CC(Nc3c2Cl)c4ccc(C)cc4)C(F)(F)F)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P13 compound treatment 0.357 0.007 1.0 0.36 0.01 1.0 -1.0 -1.0 1972334 ChemDiv1_004215 Fc1ccc(cc1)c2cc(n3nc(C(=O)Nc4cccnc4)c(Cl)c3n2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P14 compound treatment 0.413 0.063 1.0 0.418 0.068 1.0 -1.0 -1.0 1972335 ChemDiv1_004216 COc1ccc(cc1OC)C2CC(n3nc(C(=O)NCCCn4ccnc4)c(Cl)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P15 compound treatment 0.425 0.075 1.0 0.407 0.057 1.0 -1.0 -1.0 1972336 ChemDiv1_004217 [O-][N+](=O)c1cc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c4cccs4)cc(Oc5ccccc5)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P16 compound treatment 0.402 0.052 1.0 0.378 0.028 1.0 -1.0 -1.0 1972337 ChemDiv1_004218 Cc1ccc(cc1)C2CC(n3ncc(C(=O)N4CCN(CC4)C(c5ccccc5)c6ccccc6)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P17 compound treatment 0.355 0.005 1.0 0.35 0.0 -1.0 -1.0 -1.0 1972338 ChemDiv1_004219 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)NCc3ccc(Cl)cc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P18 compound treatment 0.379 0.029 1.0 0.392 0.042 1.0 -1.0 -1.0 1972339 ChemDiv1_004220 OC(c1ccccc1)c2cc(Cl)ccc2NC(=O)c3cnn4C(CC(Nc34)c5cccs5)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P19 compound treatment 0.357 0.007 1.0 0.363 0.013 1.0 -1.0 -1.0 1931476 ChemDiv1_004221 FC(F)(F)C1CC(Nc2c(Br)c(nn12)C(=O)NCCc3ccccc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P20 compound treatment 0.36 0.01 1.0 0.375 0.025 1.0 -1.0 -1.0 1410172 ChemDiv1_004222 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C1c4ccc(OC(=O)C)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P21 compound treatment 0.389 0.039 1.0 0.395 0.045 1.0 -1.0 -1.0 1972340 ChemDiv1_004223 COc1ccc(cc1)C2CC(n3ncc(C(=O)N4CCN(CC4)C(c5ccccc5)c6ccccc6)c3N2)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P22 compound treatment 0.368 0.018 1.0 0.386 0.036 1.0 -1.0 -1.0 1972341 ChemDiv1_004224 COCCOC(=O)C1=C(C)NC(=C(C1c2cn(nc2c3ccccc3)c4ccccc4)C(=O)OCCOC)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.598 P24 positive control 0.094 -0.256 -1.0 0.096 -0.254 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A01 compound treatment 0.365 0.015 1.0 0.357 0.007 1.0 -1.0 -1.0 1972342 ChemDiv1_004225 CCOc1ccc(OCCSc2nc3ccccc3n2CC(=O)N)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A02 compound treatment 0.361 0.011 1.0 0.354 0.004 1.0 -1.0 -1.0 1972343 ChemDiv1_004226 CCOC(=O)COc1ccc2c(=O)c(c3ccccc3OC)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A03 compound treatment 0.349 -0.001 -1.0 0.355 0.005 1.0 -1.0 -1.0 1949172 ChemDiv1_004227 COc1ccc(cc1OC)c2nc3cc(NC(=O)c4ccc(cc4Cl)[N+](=O)[O-])ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A04 compound treatment 0.351 0.001 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972344 ChemDiv1_004228 Fc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A05 compound treatment 0.379 0.029 1.0 0.38 0.03 1.0 -1.0 -1.0 1972345 ChemDiv1_004229 COc1cc(/C=C\2/SC(=S)N(C2=O)c3cccc(c3)C(F)(F)F)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A06 compound treatment 0.347 -0.003 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1357656 ChemDiv1_004230 OC(=O)CC(Nc1nc(nc2ccccc12)c3ccccc3)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A07 compound treatment 0.349 -0.001 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972346 ChemDiv1_004231 Clc1ccccc1COc2cccc(/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A08 compound treatment 0.354 0.004 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1944693 ChemDiv1_004232 Clc1cccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A09 compound treatment 0.489 0.139 1.0 0.457 0.107 1.0 -1.0 -1.0 1972347 ChemDiv1_004233 COc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc(OC)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A10 compound treatment 0.351 0.001 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1950933 ChemDiv1_004234 CN(C)CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Br)cc2)/C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A11 compound treatment 0.415 0.065 1.0 0.41 0.06 1.0 -1.0 -1.0 1972348 ChemDiv1_004235 COc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc(Cl)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A12 compound treatment 0.336 -0.014 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1972349 ChemDiv1_004236 CCOC(=O)c1c(N/C=C\2/Sc3ccccc3C2=O)scc1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A13 compound treatment 0.36 0.01 1.0 0.353 0.003 1.0 -1.0 -1.0 1972350 ChemDiv1_004237 OC(=O)COc1cccc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A14 compound treatment 0.349 -0.001 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972351 ChemDiv1_004238 CC(=O)c1ccc(N/C(=C\2/Sc3ccccc3C2=O)/C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A15 compound treatment 0.349 -0.001 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972352 ChemDiv1_004239 COc1cc(/C=C\2/NC(=S)NC2=O)ccc1OCc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A16 compound treatment 0.481 0.131 1.0 0.473 0.123 1.0 -1.0 -1.0 1972353 ChemDiv1_004240 CCC(=O)N(/C=C/1\Sc2ccccc2C1=O)c3cccc(C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A17 compound treatment 0.346 -0.004 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972354 ChemDiv1_004241 Clc1ccccc1/N=C/2\NC(=O)\C(=C/c3cc4OCOc4cc3Cl)\S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A18 compound treatment 0.571 0.221 1.0 0.554 0.204 1.0 -1.0 -1.0 1972355 ChemDiv1_004242 [O-][N+](=O)c1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A19 compound treatment 0.351 0.001 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1562080 ChemDiv1_004243 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc5c(F)cccc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A20 compound treatment 0.345 -0.005 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972356 ChemDiv1_004244 Brc1ccc(cc1)c2nc3sc4CCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A21 compound treatment 0.354 0.004 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972357 ChemDiv1_004245 Cc1nc(SCC(=O)NC2CCCCC2)c3c4CCCCc4sc3n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A22 compound treatment 0.346 -0.004 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972358 ChemDiv1_004246 CC(C)c1nc2sc(C)c(C)c2c(=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 A24 positive control 0.078 -0.272 -1.0 0.078 -0.272 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B01 compound treatment 0.363 0.013 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1364506 ChemDiv1_004247 CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccccc3Br)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B02 compound treatment 0.413 0.063 1.0 0.415 0.065 1.0 -1.0 -1.0 1972359 ChemDiv1_004248 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)cc([N+](=O)[O-])c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B03 compound treatment 0.35 0.0 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972360 ChemDiv1_004249 CCOC(=O)c1c(N/C=C\2/N=C(OC2=O)c3ccco3)scc1c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B04 compound treatment 0.341 -0.009 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972361 ChemDiv1_004250 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc4OCOc4cc3Br)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B05 compound treatment 0.338 -0.012 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972362 ChemDiv1_004251 Cc1cc2c(=O)n(c3ccccc3)c(=S)[nH]c2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B06 compound treatment 0.365 0.015 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1136653 ChemDiv1_004252 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(O)c3)c(=O)n2C1c4ccc(SC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B07 compound treatment 0.339 -0.011 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1728289 ChemDiv1_004253 Cn1c(=O)n(C)c2nc(NC3CCCCC3)n(Cc4ccccc4Br)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B08 compound treatment 0.378 0.028 1.0 0.361 0.011 1.0 -1.0 -1.0 1393024 ChemDiv1_004254 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C1c4cc(OC)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B09 compound treatment 0.355 0.005 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1550025 ChemDiv1_004255 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5ccc(Cl)cc5)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B10 compound treatment 0.346 -0.004 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1150805 ChemDiv1_004256 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OC)c3O)c(=O)n2C1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B11 compound treatment 0.375 0.025 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1447214 ChemDiv1_004257 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5cccc(Br)c5)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B12 compound treatment 0.367 0.017 1.0 0.353 0.003 1.0 -1.0 -1.0 1244184 ChemDiv1_004258 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N4CCCCC4)c(=O)n2C1c5ccc(OC)cc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B13 compound treatment 0.34 -0.01 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1403876 ChemDiv1_004259 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5ccc(Br)cc5)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B14 compound treatment 0.345 -0.005 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1123181 ChemDiv1_004260 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(cc3)C(=O)OC)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B15 compound treatment 0.339 -0.011 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1407004 ChemDiv1_004261 CCN(CC)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc3ccc(Cl)c(Cl)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B16 compound treatment 0.352 0.002 1.0 0.35 0.0 -1.0 -1.0 -1.0 1931096 ChemDiv1_004262 COc1ccc2ccccc2c1C3C(=C(C)N=c4sc(=Cc5cc(OC)c(OC)c(OC)c5)c(=O)n34)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B17 compound treatment 0.377 0.027 1.0 0.364 0.014 1.0 -1.0 -1.0 1722363 ChemDiv1_004263 CCCn1c2ccccc2c3nc4cc(OC)c(OC)cc4nc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B18 compound treatment 0.347 -0.003 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1722870 ChemDiv1_004264 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccnc3)c(=O)n2C1c4c(OC)ccc5ccc(OC)cc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B19 compound treatment 0.342 -0.008 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1568825 ChemDiv1_004265 CCN(CC)CCn1c(NC(=O)C)nc2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B20 compound treatment 0.373 0.023 1.0 0.36 0.01 1.0 -1.0 -1.0 1129597 ChemDiv1_004266 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)N2CCN(CC2)c3ccccc3)c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B21 compound treatment 0.346 -0.004 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972363 ChemDiv1_004267 Fc1ccccc1c2nc3sc4CCCCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B22 compound treatment 0.334 -0.016 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1944638 ChemDiv1_004268 [O-][N+](=O)c1cccc(c1)N(CC(=O)NCCSCc2ccccc2Cl)S(=O)(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 B24 positive control 0.077 -0.273 -1.0 0.078 -0.272 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C01 compound treatment 0.371 0.021 1.0 0.353 0.003 1.0 -1.0 -1.0 1924665 ChemDiv1_004269 CCc1ccc(cc1)c2nn(c3cc(ccc3[N+](=O)[O-])N4CCOCC4)c(=O)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C02 compound treatment 0.344 -0.006 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1461496 ChemDiv1_004270 COc1cc(cc(OC)c1OC)c2cc(nc(SCC(=O)Nc3cc(C)on3)c2C#N)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C03 compound treatment 0.348 -0.002 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972364 ChemDiv1_004271 COc1cc(/C=C\2/SC(=S)N(CC=C)C2=O)ccc1Oc3nc(nc(n3)N4CCOCC4)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C04 compound treatment 0.346 -0.004 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972365 ChemDiv1_004272 CC/N=C/1\SC(CC(=O)Nc2ccccc2Cl)C(=O)N1CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C05 compound treatment 0.339 -0.011 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1563364 ChemDiv1_004273 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc5ccc(Br)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C06 compound treatment 0.351 0.001 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972366 ChemDiv1_004274 Cc1c(NC(=O)CCN2C(=O)S/C(=C/c3ccc(C)cc3)/C2=O)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C07 compound treatment 0.348 -0.002 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972367 ChemDiv1_004275 CCOc1cc(/C=C\2/C(=O)NC(=O)N(CC=C)C2=O)ccc1OCc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C08 compound treatment 0.35 0.0 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972368 ChemDiv1_004276 COc1ccc(/C=C/2\SC(=NC2=O)N3CCN(CC3)C(=O)CCN4C(=O)\C(=C/c5ccc(OC)cc5)\SC4=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C09 compound treatment 0.369 0.019 1.0 0.35 0.0 -1.0 -1.0 -1.0 1972369 ChemDiv1_004277 Brc1cc2OCOc2cc1/C=C\3/S/C(=N/c4ccccc4)/NC3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C10 compound treatment 0.355 0.005 1.0 0.326 -0.024 -1.0 -1.0 -1.0 1697070 ChemDiv1_004278 Cc1ccccc1OCc2nc3c4c5CC(C)(C)NC(C)(C)c5sc4ncn3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C11 compound treatment 0.399 0.049 1.0 0.37 0.02 1.0 -1.0 -1.0 1972370 ChemDiv1_004279 COc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)ccc1OCC#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C12 compound treatment 0.629 0.279 1.0 0.607 0.257 1.0 -1.0 -1.0 1972371 ChemDiv1_004280 O=C1/C(=C\NN2CCCCC2)/Sc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C13 compound treatment 0.349 -0.001 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972372 ChemDiv1_004281 Fc1ccc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C14 compound treatment 0.351 0.001 1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972373 ChemDiv1_004282 C/C(=C/1\Sc2ccccc2C1=O)/Nc3ccccc3Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C15 compound treatment 0.348 -0.002 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972374 ChemDiv1_004283 [O-][N+](=O)c1cc(ccc1Oc2c(Br)cc(/C=C\3/NC(=S)NC3=O)cc2Br)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C16 compound treatment 0.399 0.049 1.0 0.389 0.039 1.0 -1.0 -1.0 1972375 ChemDiv1_004284 CCC(=O)N(C)/C=C/1\Sc2ccccc2C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C17 compound treatment 0.398 0.048 1.0 0.37 0.02 1.0 -1.0 -1.0 1972376 ChemDiv1_004285 COc1cccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C18 compound treatment 0.425 0.075 1.0 0.414 0.064 1.0 -1.0 -1.0 1972377 ChemDiv1_004286 COc1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C19 compound treatment 0.346 -0.004 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972378 ChemDiv1_004287 Clc1ccccc1Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c6ccccc26 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C20 compound treatment 0.342 -0.008 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972379 ChemDiv1_004288 Cc1sc2nc(oc(=O)c2c1C)c3cccc(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C21 compound treatment 0.343 -0.007 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972380 ChemDiv1_004289 Cc1cc2nnc(SCC(=O)Nc3ccccc3F)n2c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C22 compound treatment 0.338 -0.012 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1685242 ChemDiv1_004290 CC(C)(C)c1nc2scc(c3cccs3)c2c(=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 C24 positive control 0.079 -0.271 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D01 compound treatment 0.364 0.014 1.0 0.352 0.002 1.0 -1.0 -1.0 1433674 ChemDiv1_004291 CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccc(Br)c3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D02 compound treatment 0.254 -0.096 -1.0 0.226 -0.124 -1.0 -1.0 -1.0 1972381 ChemDiv1_004292 CCN(CC)c1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3C)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D03 compound treatment 0.431 0.081 1.0 0.413 0.063 1.0 -1.0 -1.0 1972382 ChemDiv1_004293 CC/1=NN(C(=O)\C1=C\Nc2cc(Br)ccc2O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D04 compound treatment 0.347 -0.003 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1972383 ChemDiv1_004294 Clc1cc(Cl)cc(c1)N2C(=O)/C(=C/c3ccc4OCOc4c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D05 compound treatment 0.338 -0.012 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1972384 ChemDiv1_004295 Cc1ccc(c2csc3[nH]c(=S)[nH]c(=O)c23)c(C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D06 compound treatment 0.352 0.002 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1684781 ChemDiv1_004296 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N4CCCCC4)c(=O)n2C1c5cc(OC)ccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D07 compound treatment 0.347 -0.003 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972385 ChemDiv1_004297 Cn1c(=O)n(C)c2nc(NCCOCCO)n(Cc3ccccc3Br)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D08 compound treatment 0.356 0.006 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1185537 ChemDiv1_004298 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC)cc3)c(=O)n2C1c4cc(OC)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D09 compound treatment 0.356 0.006 1.0 0.35 0.0 -1.0 -1.0 -1.0 1510072 ChemDiv1_004299 COc1ccc(CCNc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccccc4F)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D10 compound treatment 0.344 -0.006 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1632828 ChemDiv1_004300 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2C1c4ccccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D11 compound treatment 0.353 0.003 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1221068 ChemDiv1_004301 Cn1c(=O)n(C)c2nc(NC3CCCCC3)n(Cc4ccc(Br)cc4)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D12 compound treatment 0.369 0.019 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1592894 ChemDiv1_004302 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2C1c4ccc(OC)cc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D13 compound treatment 0.356 0.006 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972386 ChemDiv1_004303 Cn1c(=O)n(C)c2nc(NCCOCCO)n(Cc3ccc(Cl)cc3Cl)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D14 compound treatment 0.329 -0.021 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972387 ChemDiv1_004304 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N4CCCCC4)c(=O)n2C1c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D15 compound treatment 0.334 -0.016 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1549327 ChemDiv1_004305 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4c(Cl)cccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D16 compound treatment 0.336 -0.014 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972388 ChemDiv1_004306 COc1ccc2ccc(OC)c(C=c3sc4=NC(=C(C(c5ccccc5OC)n4c3=O)C(=O)C)C)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D17 compound treatment 0.344 -0.006 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1173148 ChemDiv1_004307 CCCCn1c2ccccc2c3nc4cc(OC)c(OC)cc4nc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D18 compound treatment 0.324 -0.026 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1972389 ChemDiv1_004308 COc1ccc(cc1)C(=O)NN2C(=O)C3C(C(C=CC3c4ccccc4)c5ccccc5)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D19 compound treatment 0.332 -0.018 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1141158 ChemDiv1_004309 CN(C)CCCn1c(NC(=O)C)nc2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D20 compound treatment 0.353 0.003 1.0 0.353 0.003 1.0 -1.0 -1.0 1972390 ChemDiv1_004310 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D21 compound treatment 0.335 -0.015 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1730319 ChemDiv1_004311 Cc1cccc(c1)c2nc3sc4CCCCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D22 compound treatment 0.33 -0.02 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1781251 ChemDiv1_004312 [O-][N+](=O)c1cccc(c1)N(CC(=O)N(Cc2ccccc2)Cc3ccccc3)S(=O)(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 D24 positive control 0.079 -0.271 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E01 compound treatment 0.352 0.002 1.0 0.35 0.0 -1.0 -1.0 -1.0 1972391 ChemDiv1_004313 OC(=O)c1cc(NC(=O)c2cccc(c2)N3C(=O)c4cccc5c(ccc(C3=O)c45)[N+](=O)[O-])cc(c1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E02 compound treatment 0.365 0.015 1.0 0.319 -0.031 -1.0 -1.0 -1.0 1639906 ChemDiv1_004314 COc1cc(cc(OC)c1OC)c2cc(nc(SCC(=O)Nc3ncccn3)c2C#N)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E03 compound treatment 0.348 -0.002 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1375823 ChemDiv1_004315 Cc1cc(C)n(n1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E04 compound treatment 0.353 0.003 1.0 0.323 -0.027 -1.0 -1.0 -1.0 1972392 ChemDiv1_004316 CC/N=C\1/SC(CC(=O)Nc2cccc(c2)C(F)(F)F)C(=O)N1CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E05 compound treatment 0.363 0.013 1.0 0.354 0.004 1.0 -1.0 -1.0 1784721 ChemDiv1_004317 COc1ccc(c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E06 compound treatment 0.376 0.026 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1936624 ChemDiv1_004318 CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)cc3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E07 compound treatment 0.342 -0.008 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1944202 ChemDiv1_004319 [O-][N+](=O)c1ccc(Cl)c(c1)c2ccc(/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E08 compound treatment 0.439 0.089 1.0 0.406 0.056 1.0 -1.0 -1.0 1947414 ChemDiv1_004320 [O-][N+](=O)c1cc2OCOc2cc1/C=C/3\SC(=S)N(NC(=O)c4ccccc4Cl)C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E09 compound treatment 0.373 0.023 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972393 ChemDiv1_004321 COc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E10 compound treatment 0.389 0.039 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972394 ChemDiv1_004322 COCCOC(=O)C1=C(C)NC(=C(C1c2ccc(o2)c3ccc(Cl)cc3Cl)C(=O)OCCOC)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E11 compound treatment 0.405 0.055 1.0 0.368 0.018 1.0 -1.0 -1.0 1972395 ChemDiv1_004323 COc1ccc2ccccc2c1/C=C\3/S/C(=N/c4ccccc4)/NC3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E12 compound treatment 0.333 -0.017 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972396 ChemDiv1_004324 Clc1ncccc1C(=O)Oc2ccccc2/C=C/3\Sc4ccccc4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E13 compound treatment 0.348 -0.002 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972397 ChemDiv1_004325 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1Oc5nc(nc(n5)N6CCOCC6)N7CCOCC7 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E14 compound treatment 0.354 0.004 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972398 ChemDiv1_004326 C/C(=C/1\Sc2ccccc2C1=O)/Nc3ccccc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E15 compound treatment 0.336 -0.014 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972399 ChemDiv1_004327 Clc1ccc(COc2ccc(/C=C\3/NC(=S)NC3=O)cc2)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E16 compound treatment 0.399 0.049 1.0 0.408 0.058 1.0 -1.0 -1.0 1972400 ChemDiv1_004328 CCC(=O)N(Cc1ccccc1)/C=C/2\Sc3ccccc3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E17 compound treatment 0.364 0.014 1.0 0.322 -0.028 -1.0 -1.0 -1.0 1972401 ChemDiv1_004329 COc1ccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E18 compound treatment 0.329 -0.021 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972402 ChemDiv1_004330 COc1ccc(cc1)c2csc3nc(oc(=O)c23)c4ccccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E19 compound treatment 0.324 -0.026 -1.0 0.308 -0.042 -1.0 -1.0 -1.0 1972403 ChemDiv1_004331 Clc1ccc(Cn2cc(/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)c4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E20 compound treatment 0.33 -0.02 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1381477 ChemDiv1_004332 O=c1oc(nc2scc(c3cccs3)c12)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E21 compound treatment 0.347 -0.003 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972404 ChemDiv1_004333 O=C1N(CSc2ncnc3sc4CCCCc4c23)C(=O)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E22 compound treatment 0.341 -0.009 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972405 ChemDiv1_004334 Cc1sc2nc(oc(=O)c2c1C)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 E24 positive control 0.083 -0.267 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F01 compound treatment 0.405 0.055 1.0 0.369 0.019 1.0 -1.0 -1.0 1972406 ChemDiv1_004335 CCOC(=O)c1c(C)n(c2ccc(C)cc2C)c3ccc(OC(=O)/C=C/c4ccccc4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F02 compound treatment 0.331 -0.019 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1928991 ChemDiv1_004336 CCN(CC)c1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)c(O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F03 compound treatment 0.349 -0.001 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972407 ChemDiv1_004337 CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c3ccccc3)C)scc1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F04 compound treatment 0.358 0.008 1.0 0.312 -0.038 -1.0 -1.0 -1.0 1494558 ChemDiv1_004338 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F05 compound treatment 0.353 0.003 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972408 ChemDiv1_004339 Brc1ccc(cc1)c2csc3[nH]c(=S)[nH]c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F06 compound treatment 0.363 0.013 1.0 0.357 0.007 1.0 -1.0 -1.0 1487022 ChemDiv1_004340 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)c(OC)c3)c(=O)n2C1c4cc(OC)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F07 compound treatment 0.351 0.001 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1659447 ChemDiv1_004341 CC1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F08 compound treatment 0.527 0.177 1.0 0.46 0.11 1.0 -1.0 -1.0 1507573 ChemDiv1_004342 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4cccc(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F09 compound treatment 0.362 0.012 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1678240 ChemDiv1_004343 COc1ccc(CCNc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4cccc(F)c4)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F10 compound treatment 0.349 -0.001 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1282868 ChemDiv1_004344 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N4CCCCC4)c(=O)n2C1c5ccccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F11 compound treatment 0.357 0.007 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972409 ChemDiv1_004345 Cn1c(=O)n(C)c2nc(NCCOCCO)n(Cc3ccc(Br)cc3)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F12 compound treatment 0.355 0.005 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1440544 ChemDiv1_004346 CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc34)c(=O)n2C1c5ccc(OC)cc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F13 compound treatment 0.348 -0.002 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1253520 ChemDiv1_004347 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F14 compound treatment 0.367 0.017 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972410 ChemDiv1_004348 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F15 compound treatment 0.327 -0.023 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1256488 ChemDiv1_004349 CCN(CC)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc3c(Cl)cccc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F16 compound treatment 0.358 0.008 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1292167 ChemDiv1_004350 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(O)c3)c(=O)n2C1c4cc(Br)c(OC)cc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F17 compound treatment 0.377 0.027 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1327163 ChemDiv1_004351 COc1cc2nc3n(CCC(C)C)c4ccccc4c3nc2cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F18 compound treatment 0.342 -0.008 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1172234 ChemDiv1_004352 CCOc1ccc(cc1)N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c3ccc(SC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F19 compound treatment 0.332 -0.018 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1727978 ChemDiv1_004353 Cc1ccc(cc1)C(=O)Nc2nc3ccccc3n2CCN4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F20 compound treatment 0.35 0.0 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972411 ChemDiv1_004354 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F21 compound treatment 0.346 -0.004 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972412 ChemDiv1_004355 Cc1ccccc1c2nc3sc4CCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F22 compound treatment 0.345 -0.005 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1120902 ChemDiv1_004356 COc1ccccc1N2CCN(CC2)C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 F24 positive control 0.082 -0.268 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G01 compound treatment 0.417 0.067 1.0 0.391 0.041 1.0 -1.0 -1.0 1470580 ChemDiv1_004357 OC(=O)c1ccc(cc1)S(=O)(=O)c2ccc3C(=O)N(C(=O)c4cccc2c43)c5cccc(O)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G02 compound treatment 0.367 0.017 1.0 0.334 -0.016 -1.0 -1.0 -1.0 1191919 ChemDiv1_004358 Cc1ccc(cc1)c2cc(nc(SCC(=O)Nc3ncccn3)c2C#N)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G03 compound treatment 0.373 0.023 1.0 0.352 0.002 1.0 -1.0 -1.0 1972413 ChemDiv1_004359 COc1cc(/C=C\2/SC(=S)N(CC=C)C2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G04 compound treatment 0.434 0.084 1.0 0.416 0.066 1.0 -1.0 -1.0 1972414 ChemDiv1_004360 [O-][N+](=O)c1ccc2NC(=O)/C(=C/3\SC(=S)N(NC(=O)c4cccnc4)C3=O)/c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G05 compound treatment 0.542 0.192 1.0 0.514 0.164 1.0 -1.0 -1.0 1972415 ChemDiv1_004361 COc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G06 compound treatment 0.483 0.133 1.0 0.435 0.085 1.0 -1.0 -1.0 1972416 ChemDiv1_004362 [O-][N+](=O)c1ccccc1C(=O)NN2C(=O)/C(=C/c3ccc(Br)cc3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G07 compound treatment 0.37 0.02 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972417 ChemDiv1_004363 COc1cc(/C=C\2/C(=O)NC(=O)N(CC=C)C2=O)ccc1OCc3ccccc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G08 compound treatment 0.452 0.102 1.0 0.424 0.074 1.0 -1.0 -1.0 1972418 ChemDiv1_004364 Brc1ccc2NC(=O)/C(=C/3\SC(=S)N(NS(=O)(=O)c4ccccc4)C3=O)/c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G09 compound treatment 0.508 0.158 1.0 0.466 0.116 1.0 -1.0 -1.0 1972419 ChemDiv1_004365 CCOc1cc(cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)c1O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G10 compound treatment 0.366 0.016 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972420 ChemDiv1_004366 [O-][N+](=O)c1ccccc1c2ccc(/C=C/3\NC(=S)N(C3=O)c4ccccc4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G11 compound treatment 0.36 0.01 1.0 0.351 0.001 1.0 -1.0 -1.0 1972421 ChemDiv1_004367 CCOc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)ccc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G12 compound treatment 0.348 -0.002 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972422 ChemDiv1_004368 COc1cc(cc(OC)c1OC)C(=O)Oc2ccccc2/C=C/3\Sc4ccccc4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G13 compound treatment 0.339 -0.011 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1972423 ChemDiv1_004369 COc1cc(/C=C/2\C(=NN(C2=O)c3ccccc3)C)ccc1OCCOc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G14 compound treatment 0.384 0.034 1.0 0.367 0.017 1.0 -1.0 -1.0 1972424 ChemDiv1_004370 C/C(=C/1\Sc2ccccc2C1=O)/Nc3ccccc3O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G15 compound treatment 0.337 -0.013 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972425 ChemDiv1_004371 CCOc1cc(/C=C\2/NC(=S)NC2=O)ccc1OCc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G16 compound treatment 0.377 0.027 1.0 0.37 0.02 1.0 -1.0 -1.0 1972426 ChemDiv1_004372 COc1ccccc1N(C=O)/C=C/2\Sc3ccccc3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G17 compound treatment 0.339 -0.011 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972427 ChemDiv1_004373 CCOc1cccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G18 compound treatment 0.342 -0.008 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1121995 ChemDiv1_004374 COc1ccccc1c2nc3sc4CCCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G19 compound treatment 0.337 -0.013 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972428 ChemDiv1_004375 OC(=O)c1cc(ccc1Cl)c2ccc(/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G20 compound treatment 0.348 -0.002 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972429 ChemDiv1_004376 Cc1nc2scc(c3ccc(Br)cc3)c2c(=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G21 compound treatment 0.345 -0.005 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1924034 ChemDiv1_004377 COC(=O)CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G22 compound treatment 0.339 -0.011 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1972430 ChemDiv1_004378 Cc1cc2c(=O)oc(nc2s1)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 G24 positive control 0.084 -0.266 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H01 compound treatment 0.371 0.021 1.0 0.361 0.011 1.0 -1.0 -1.0 1972431 ChemDiv1_004379 CCOC(=O)c1c(C)n(c2ccc(C)c(C)c2)c3ccc(OC(=O)c4ccccc4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H02 compound treatment 0.653 0.303 1.0 0.474 0.124 1.0 -1.0 -1.0 1948670 ChemDiv1_004380 CC1=NN(C(=O)C1/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H03 compound treatment 0.353 0.003 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972432 ChemDiv1_004381 CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c3ccccc3)C)scc1c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H04 compound treatment 0.37 0.02 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1689219 ChemDiv1_004382 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N4CCCCC4)c(=O)n2C1c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H05 compound treatment 0.336 -0.014 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1972433 ChemDiv1_004383 Cc1sc2[nH]c(=S)[nH]c(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H06 compound treatment 0.347 -0.003 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1222639 ChemDiv1_004384 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2C1c4cc(OC)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H07 compound treatment 0.356 0.006 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1191951 ChemDiv1_004385 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H08 compound treatment 0.362 0.012 1.0 0.332 -0.018 -1.0 -1.0 -1.0 1465669 ChemDiv1_004386 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2C1c4ccc(cc4)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H09 compound treatment 0.355 0.005 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1685916 ChemDiv1_004387 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5cccc(F)c5)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H10 compound treatment 0.386 0.036 1.0 0.357 0.007 1.0 -1.0 -1.0 1565170 ChemDiv1_004388 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OC)c3O)c(=O)n2C1c4ccccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H11 compound treatment 0.35 0.0 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1358843 ChemDiv1_004389 CCN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H12 compound treatment 0.446 0.096 1.0 0.42 0.07 1.0 -1.0 -1.0 1195996 ChemDiv1_004390 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OC)c3O)c(=O)n2C1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H13 compound treatment 0.336 -0.014 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1489629 ChemDiv1_004391 CCN(CC)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H14 compound treatment 0.359 0.009 1.0 0.309 -0.041 -1.0 -1.0 -1.0 1972434 ChemDiv1_004392 O=C/1N(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C1=C/c4cccnc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H15 compound treatment 0.342 -0.008 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1215521 ChemDiv1_004393 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5c(Cl)cccc5Cl)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H16 compound treatment 0.349 -0.001 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972435 ChemDiv1_004394 CCOc1cc(C=c2sc3=NC(=C(C(c4c(OC)ccc5ccccc45)n3c2=O)C(=O)C)C)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H17 compound treatment 0.35 0.0 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1478760 ChemDiv1_004395 Cc1cc(C)c2n(CC(O)CN3C(=O)c4ccccc4S3(=O)=O)c(c(c5ccccc5)c2c1)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H18 compound treatment 0.322 -0.028 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1374726 ChemDiv1_004396 CCOc1ccc(cc1)N(CC(=O)N2CCN(CC2)c3ccccc3)S(=O)(=O)c4ccc(SC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H19 compound treatment 0.35 0.0 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1361970 ChemDiv1_004397 Clc1ccc(Cn2c(NC(=O)c3ccco3)nc4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H20 compound treatment 0.321 -0.029 -1.0 0.305 -0.045 -1.0 -1.0 -1.0 1972436 ChemDiv1_004398 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCCSCc2ccc(Cl)cc2)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H21 compound treatment 0.339 -0.011 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1972437 ChemDiv1_004399 Cc1ccc(cc1)S(=O)(=O)Oc2ccccc2/C=C/3\N=C(OC3=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H22 compound treatment 0.361 0.011 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972438 ChemDiv1_004400 COc1ccc(N(CC(=O)N2CCN(CC2)c3ccccc3OC)S(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 H24 positive control 0.084 -0.266 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I01 compound treatment 0.4 0.05 1.0 0.383 0.033 1.0 -1.0 -1.0 1305861 ChemDiv1_004401 OC(=O)c1cc(Br)ccc1NC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I02 compound treatment 0.397 0.047 1.0 0.376 0.026 1.0 -1.0 -1.0 1972439 ChemDiv1_004402 CCOc1cc(/C=C/2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I03 compound treatment 0.351 0.001 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972440 ChemDiv1_004403 COc1cc(/C=C\2/SC(=S)N(C)C2=O)ccc1Oc3nc(nc(n3)N4CCOCC4)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I04 compound treatment 0.287 -0.063 -1.0 0.28 -0.07 -1.0 -1.0 -1.0 1972441 ChemDiv1_004404 CC(=O)N1C(=O)/C(=C/2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I05 compound treatment 0.35 0.0 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972442 ChemDiv1_004405 CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I06 compound treatment 0.384 0.034 1.0 0.364 0.014 1.0 -1.0 -1.0 1972443 ChemDiv1_004406 Brc1ccc(CC2S/C(=N/c3ccccc3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I07 compound treatment 0.38 0.03 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972444 ChemDiv1_004407 COc1cc(/C=C\2/C(=O)NC(=O)N(CC=C)C2=O)ccc1OCc3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I08 compound treatment 0.365 0.015 1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972445 ChemDiv1_004408 Oc1ccc2c(=O)c(c3ccc(Cl)cc3)c(oc2c1CN4CCOCC4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I09 compound treatment 0.385 0.035 1.0 0.374 0.024 1.0 -1.0 -1.0 1972446 ChemDiv1_004409 COc1ccc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I10 compound treatment 0.354 0.004 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972447 ChemDiv1_004410 Clc1ccc(Cl)c(c1)c2ccc(/C=C/3\NC(=S)N(C3=O)c4ccccc4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I11 compound treatment 0.447 0.097 1.0 0.432 0.082 1.0 -1.0 -1.0 1972448 ChemDiv1_004411 COc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I12 compound treatment 0.418 0.068 1.0 0.404 0.054 1.0 -1.0 -1.0 1972449 ChemDiv1_004412 CC(=O)Oc1ccc(cc1/C=C/2\Sc3ccccc3C2=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I13 compound treatment 0.362 0.012 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972450 ChemDiv1_004413 [O-][N+](=O)c1ccc(Oc2cccc(/C=C\3/NC(=S)NC3=O)c2)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I14 compound treatment 0.305 -0.045 -1.0 0.295 -0.055 -1.0 -1.0 -1.0 1972451 ChemDiv1_004414 C/C(=C/1\Sc2ccccc2C1=O)/Nc3cccc(Br)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I15 compound treatment 0.32 -0.03 -1.0 0.307 -0.043 -1.0 -1.0 -1.0 1972452 ChemDiv1_004415 [O-][N+](=O)c1cccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I16 compound treatment 0.294 -0.056 -1.0 0.276 -0.074 -1.0 -1.0 -1.0 1972453 ChemDiv1_004416 O=CN(/C=C/1\Sc2ccccc2C1=O)c3cccc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I17 compound treatment 0.356 0.006 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972454 ChemDiv1_004417 OC(=O)COc1cccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I18 compound treatment 0.339 -0.011 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1972455 ChemDiv1_004418 COc1ccc(cc1)c2csc3nc(oc(=O)c23)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I19 compound treatment 0.351 0.001 1.0 0.314 -0.036 -1.0 -1.0 -1.0 1474215 ChemDiv1_004419 C=CCn1c(SCC(=O)c2cccs2)nc3sc4CCCc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I20 compound treatment 0.332 -0.018 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972456 ChemDiv1_004420 Cc1sc2nc(C)oc(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I21 compound treatment 0.326 -0.024 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1268616 ChemDiv1_004421 Brc1ccccc1Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I22 compound treatment 0.342 -0.008 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1972457 ChemDiv1_004422 Cc1cc2c(=O)oc(nc2s1)c3ccc(cc3)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 I24 positive control 0.085 -0.265 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J01 compound treatment 0.376 0.026 1.0 0.357 0.007 1.0 -1.0 -1.0 1725277 ChemDiv1_004423 CCOC(=O)c1c(C)n(c2ccccc2C)c3ccc(OC(=O)c4ccccc4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J02 compound treatment 0.455 0.105 1.0 0.418 0.068 1.0 -1.0 -1.0 1972458 ChemDiv1_004424 Cc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)c(C)n1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J03 compound treatment 0.353 0.003 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972459 ChemDiv1_004425 CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c3ccccc3)C)scc1c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J04 compound treatment 0.365 0.015 1.0 0.35 0.0 -1.0 -1.0 -1.0 1404479 ChemDiv1_004426 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(O)c3)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J05 compound treatment 0.378 0.028 1.0 0.364 0.014 1.0 -1.0 -1.0 1972460 ChemDiv1_004427 CCOC(=O)CSc1nc2sc3CCCc3c2c(=O)n1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J06 compound treatment 0.376 0.026 1.0 0.356 0.006 1.0 -1.0 -1.0 1266930 ChemDiv1_004428 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2C1c4cc(OC)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J07 compound treatment 0.357 0.007 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1590946 ChemDiv1_004429 Cn1c(=O)n(C)c2nc(NCc3ccco3)n(Cc4ccccc4Br)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J08 compound treatment 0.342 -0.008 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1200045 ChemDiv1_004430 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)c4ccc(cc4)C(=O)O)c(=O)n2C1c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J09 compound treatment 0.361 0.011 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1208663 ChemDiv1_004431 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5ccc(F)cc5)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J10 compound treatment 0.373 0.023 1.0 0.361 0.011 1.0 -1.0 -1.0 1684224 ChemDiv1_004432 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c4ccccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J11 compound treatment 0.336 -0.014 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1359181 ChemDiv1_004433 CCN(CC)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J12 compound treatment 0.364 0.014 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1658381 ChemDiv1_004434 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4OCOc4cc3Cl)c(=O)n2C1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J13 compound treatment 0.35 0.0 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1227802 ChemDiv1_004435 Cn1c(=O)n(C)c2nc(NCc3ccccc3)n(Cc4ccc(Cl)cc4Cl)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J14 compound treatment 0.37 0.02 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1200293 ChemDiv1_004436 CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2C1c5cc(Br)c(OC)cc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J15 compound treatment 0.346 -0.004 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1186646 ChemDiv1_004437 Cn1c(=O)n(C)c2nc(NCCc3ccccc3)n(Cc4c(F)cccc4Cl)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J16 compound treatment 0.355 0.005 1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972461 ChemDiv1_004438 COc1ccc(C=c2sc3=NC(=C(C(c4c(OC)ccc5ccccc45)n3c2=O)C(=O)C)C)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J17 compound treatment 0.382 0.032 1.0 0.373 0.023 1.0 -1.0 -1.0 1611579 ChemDiv1_004439 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(O)cc2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J18 compound treatment 0.364 0.014 1.0 0.363 0.013 1.0 -1.0 -1.0 1568461 ChemDiv1_004440 CCOc1ccc(cc1)N(CC(=O)N2CCN(CC2)c3ccccc3OC)S(=O)(=O)c4ccc(SC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J19 compound treatment 0.345 -0.005 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972462 ChemDiv1_004441 CCOC(=O)CSc1nc2cc(C)ccc2[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J20 compound treatment 0.333 -0.017 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1972463 ChemDiv1_004442 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCCSCc2cccc(Cl)c2)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J21 compound treatment 0.34 -0.01 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972464 ChemDiv1_004443 Clc1ccc(cc1)N2C(=O)/C(=C/c3cc4OCOc4cc3Br)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J22 compound treatment 0.343 -0.007 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1783361 ChemDiv1_004444 COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 J24 positive control 0.085 -0.265 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K01 compound treatment 0.414 0.064 1.0 0.403 0.053 1.0 -1.0 -1.0 1972465 ChemDiv1_004445 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)c4ccc(cc4)N5C(=O)C6C7CC(C=C7)C6C5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K02 compound treatment 0.343 -0.007 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972466 ChemDiv1_004446 COC(=O)c1ccc(/C=C/2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K03 compound treatment 0.447 0.097 1.0 0.413 0.063 1.0 -1.0 -1.0 1944052 ChemDiv1_004447 Fc1ccc(COc2ccc(Br)cc2/C=C\3/SC(=O)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K04 compound treatment 0.361 0.011 1.0 0.355 0.005 1.0 -1.0 -1.0 1927063 ChemDiv1_004448 COc1ccc(/C=C\2/SC(=NC2=O)N3CCN(CC3)C(=O)CN4C(=O)S\C(=C/c5ccccc5F)\C4=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K05 compound treatment 0.34 -0.01 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972467 ChemDiv1_004449 COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K06 compound treatment 0.361 0.011 1.0 0.36 0.01 1.0 -1.0 -1.0 1972468 ChemDiv1_004450 Cc1ccccc1CC2S/C(=N/c3ccc(Br)cc3)/NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K07 compound treatment 0.456 0.106 1.0 0.425 0.075 1.0 -1.0 -1.0 1972469 ChemDiv1_004451 CCOc1cc(/C=C\2/SC(=O)N(C2=O)c3ccc(Cl)cc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K08 compound treatment 0.352 0.002 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972470 ChemDiv1_004452 CN1CCN(Cc2c(O)ccc3c(=O)c(c4ccc(Cl)cc4)c(oc23)C(F)(F)F)CC1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K09 compound treatment 0.452 0.102 1.0 0.439 0.089 1.0 -1.0 -1.0 1972471 ChemDiv1_004453 CCOc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc(Br)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K10 compound treatment 0.378 0.028 1.0 0.373 0.023 1.0 -1.0 -1.0 1972472 ChemDiv1_004454 COC(=O)C1=C(C)N=c2sc(=Cc3cccc(c3)[N+](=O)[O-])c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K11 compound treatment 0.48 0.13 1.0 0.44 0.09 1.0 -1.0 -1.0 1972473 ChemDiv1_004455 CCOc1ccc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K12 compound treatment 0.382 0.032 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972474 ChemDiv1_004456 [O-][N+](=O)c1ccc(o1)C(=O)Oc2ccccc2/C=C/3\Sc4ccccc4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K13 compound treatment 0.348 -0.002 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1447438 ChemDiv1_004457 COc1cc(C=O)ccc1Oc2nc(nc(n2)N3CCCCC3)N4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K14 compound treatment 0.568 0.218 1.0 0.559 0.209 1.0 -1.0 -1.0 1972475 ChemDiv1_004458 C/C(=C/1\Sc2ccccc2C1=O)/Nc3cccc(Cl)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K15 compound treatment 0.433 0.083 1.0 0.398 0.048 1.0 -1.0 -1.0 1972476 ChemDiv1_004459 [O-][N+](=O)c1ccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K16 compound treatment 0.468 0.118 1.0 0.462 0.112 1.0 -1.0 -1.0 1972477 ChemDiv1_004460 CC(=O)N(/C=C/1\Sc2ccccc2C1=O)c3ccc(cc3)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K17 compound treatment 0.389 0.039 1.0 0.362 0.012 1.0 -1.0 -1.0 1972478 ChemDiv1_004461 CCOc1ccc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K18 compound treatment 0.331 -0.019 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972479 ChemDiv1_004462 Clc1cccc(c1)c2nc3sc4CCCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K19 compound treatment 0.343 -0.007 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1972480 ChemDiv1_004463 COc1ccc(cc1OC)c2nc3sc4CCCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K20 compound treatment 0.347 -0.003 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1647504 ChemDiv1_004464 CCc1nc2sc3CCCCc3c2c(=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K21 compound treatment 0.344 -0.006 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972481 ChemDiv1_004465 COc1ccccc1c2c(oc3c(CN4CCCCC4)c(O)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K22 compound treatment 0.341 -0.009 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1505504 ChemDiv1_004466 Cc1ccc(cc1)c2csc3nc(Cc4ccccc4)oc(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 K24 positive control 0.085 -0.265 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L01 compound treatment 0.368 0.018 1.0 0.366 0.016 1.0 -1.0 -1.0 1334632 ChemDiv1_004467 CCOC(=O)c1c(C)n(c2ccc(OC)cc2)c3ccc(OC(=O)C#Cc4ccccc4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L02 compound treatment 0.336 -0.014 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1948497 ChemDiv1_004468 CCN(CC)c1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(F)cc3)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L03 compound treatment 0.341 -0.009 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972482 ChemDiv1_004469 CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c3ccc(C)cc3)C)scc1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L04 compound treatment 0.364 0.014 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1670085 ChemDiv1_004470 CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L05 compound treatment 0.373 0.023 1.0 0.36 0.01 1.0 -1.0 -1.0 1972483 ChemDiv1_004471 NNC(=O)CSc1nc2scc(c3ccccc3)c2c(=O)n1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L06 compound treatment 0.374 0.024 1.0 0.366 0.016 1.0 -1.0 -1.0 1130488 ChemDiv1_004472 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3OC)c(=O)n2C1c4cc(OC)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L07 compound treatment 0.366 0.016 1.0 0.356 0.006 1.0 -1.0 -1.0 1343629 ChemDiv1_004473 Cn1c(=O)n(C)c2nc(NC3CCCCC3)n(Cc4cccc(Br)c4)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L08 compound treatment 0.414 0.064 1.0 0.39 0.04 1.0 -1.0 -1.0 1725771 ChemDiv1_004474 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)cc3OC)c(=O)n2C1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L09 compound treatment 0.34 -0.01 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1463143 ChemDiv1_004475 Cn1c(=O)n(C)c2nc(NCc3ccccc3)n(Cc4ccccc4Br)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L10 compound treatment 0.372 0.022 1.0 0.361 0.011 1.0 -1.0 -1.0 1524465 ChemDiv1_004476 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N(C)C)c(=O)n2C1c4c(OC)ccc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L11 compound treatment 0.375 0.025 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1714209 ChemDiv1_004477 Cn1c(=O)n(C)c2nc(NCc3ccco3)n(Cc4ccc(Br)cc4)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L12 compound treatment 0.404 0.054 1.0 0.377 0.027 1.0 -1.0 -1.0 1704027 ChemDiv1_004478 CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(CC=C)c4ccccc34)c(=O)n2C1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L13 compound treatment 0.358 0.008 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1188386 ChemDiv1_004479 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5ccc(Cl)cc5Cl)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L14 compound treatment 0.348 -0.002 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1931218 ChemDiv1_004480 CCN(CC)c1ccc(C=c2sc3=NC(=C(C(c4ccc(OC)cc4OC)n3c2=O)C(=O)C)C)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L15 compound treatment 0.352 0.002 1.0 0.356 0.006 1.0 -1.0 -1.0 1508793 ChemDiv1_004481 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5cccc6ccccc56)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L16 compound treatment 0.332 -0.018 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972484 ChemDiv1_004482 COc1ccc2ccccc2c1C3C(=C(C)N=c4sc(=Cc5ccc(cc5)N(C)C)c(=O)n34)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L17 compound treatment 0.334 -0.016 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972485 ChemDiv1_004483 CC(=O)Nc1nc2ccccc2n1CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L18 compound treatment 0.342 -0.008 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972486 ChemDiv1_004484 CCOc1ccc(cc1)N(CC(=O)Nc2ccc3OCOc3c2)S(=O)(=O)c4ccc(SC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L19 compound treatment 0.347 -0.003 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972487 ChemDiv1_004485 Brc1ccc(cc1)c2nc3sc4CCCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L20 compound treatment 0.337 -0.013 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972488 ChemDiv1_004486 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L21 compound treatment 0.322 -0.028 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1972489 ChemDiv1_004487 COc1cc(OC)c(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L22 compound treatment 0.329 -0.021 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1783360 ChemDiv1_004488 COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 L24 positive control 0.084 -0.266 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M01 compound treatment 0.363 0.013 1.0 0.359 0.009 1.0 -1.0 -1.0 1972490 ChemDiv1_004489 OC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M02 compound treatment 0.25 -0.1 -1.0 0.243 -0.107 -1.0 -1.0 -1.0 1972491 ChemDiv1_004490 [O-][N+](=O)c1ccc(cc1)c2ccc(/C=C/3\SC(=S)N(NC(=O)c4ccccc4[N+](=O)[O-])C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M03 compound treatment 0.386 0.036 1.0 0.379 0.029 1.0 -1.0 -1.0 1972492 ChemDiv1_004491 CCOc1cc(/C=C\2/SC(=O)NC2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M04 compound treatment 0.388 0.038 1.0 0.372 0.022 1.0 -1.0 -1.0 1972493 ChemDiv1_004492 Cc1cccc(/N=C/2\NC(=O)\C(=C/3\C(=O)Nc4ccc(Br)cc34)\S2)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M05 compound treatment 0.333 -0.017 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1972494 ChemDiv1_004493 CN1C(=O)N(C)C(=O)C(=Cc2cc(Br)ccc2OCc3ccccc3)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M06 compound treatment 0.374 0.024 1.0 0.371 0.021 1.0 -1.0 -1.0 1972495 ChemDiv1_004494 Clc1ccc(CC2S/C(=N/c3ccc(Cl)cc3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M07 compound treatment 0.348 -0.002 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972496 ChemDiv1_004495 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2OS(=O)(=O)c3ccccc3)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M08 compound treatment 0.379 0.029 1.0 0.364 0.014 1.0 -1.0 -1.0 1972497 ChemDiv1_004496 Oc1ccc2c(=O)c(c3ccccc3Cl)c(oc2c1CN4CCOCC4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M09 compound treatment 0.483 0.133 1.0 0.434 0.084 1.0 -1.0 -1.0 1972498 ChemDiv1_004497 Oc1ccc(Br)cc1/C=C\2/S/C(=N/c3ccccc3)/NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M10 compound treatment 0.372 0.022 1.0 0.368 0.018 1.0 -1.0 -1.0 1972499 ChemDiv1_004498 [O-][N+](=O)c1cccc(N/C=C\2/Sc3ccccc3C2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M11 compound treatment 0.498 0.148 1.0 0.488 0.138 1.0 -1.0 -1.0 1972500 ChemDiv1_004499 CCOc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M12 compound treatment 0.565 0.215 1.0 0.542 0.192 1.0 -1.0 -1.0 1972501 ChemDiv1_004500 C/C(=C/1\Sc2ccccc2C1=O)/NC3CCCCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M13 compound treatment 0.349 -0.001 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1511652 ChemDiv1_004501 COc1cc(C=O)ccc1Oc2nc(nc(n2)N3CCOCC3)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M14 compound treatment 0.497 0.147 1.0 0.46 0.11 1.0 -1.0 -1.0 1972502 ChemDiv1_004502 C/C(=C/1\Sc2ccccc2C1=O)/Nc3cccc(O)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M15 compound treatment 0.35 0.0 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972503 ChemDiv1_004503 COc1cc(/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M16 compound treatment 0.358 0.008 1.0 0.358 0.008 1.0 -1.0 -1.0 1972504 ChemDiv1_004504 CN(/C=C/1\Sc2ccccc2C1=O)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M17 compound treatment 0.373 0.023 1.0 0.361 0.011 1.0 -1.0 -1.0 1972505 ChemDiv1_004505 Brc1ccc(OCc2cccc3ccccc23)c(/C=C\4/NC(=S)NC4=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M18 compound treatment 0.344 -0.006 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972506 ChemDiv1_004506 Brc1cccc(c1)c2nc3scc(c4ccccc4)c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M19 compound treatment 0.322 -0.028 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972507 ChemDiv1_004507 Fc1ccc(cc1)c2csc3nc(SCC(=O)Nc4ccc5OCOc5c4)n(CC=C)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M20 compound treatment 0.331 -0.019 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1972508 ChemDiv1_004508 CCc1nc2scc(c3ccc(Br)cc3)c2c(=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M21 compound treatment 0.369 0.019 1.0 0.357 0.007 1.0 -1.0 -1.0 1972509 ChemDiv1_004509 COc1ccccc1c2c(oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M22 compound treatment 0.332 -0.018 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972510 ChemDiv1_004510 O=c1oc(CCCCc2nc3sc4CCCCc4c3c(=O)o2)nc5sc6CCCCc6c15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 M24 positive control 0.087 -0.263 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N01 compound treatment 0.353 0.003 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1458021 ChemDiv1_004511 CCOC(=O)c1c(C)n(c2ccc(OC)cc2)c3cc(Br)c(OC)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N02 compound treatment 0.404 0.054 1.0 0.42 0.07 1.0 -1.0 -1.0 1972511 ChemDiv1_004512 COc1cc(ccc1c2ccc(/C=C/3\C(=O)NC(=S)N(C3=O)c4ccccc4)o2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N03 compound treatment 0.334 -0.016 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972512 ChemDiv1_004513 CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c3ccc(C)cc3)C)sc(C)c1c4ccc5cc(OC)ccc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N04 compound treatment 0.339 -0.011 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1447307 ChemDiv1_004514 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(cc3)C(=O)OC)c(=O)n2C1c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N05 compound treatment 0.345 -0.005 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972513 ChemDiv1_004515 CC/1=NN(C(=O)\C1=C/Nc2cc(cc(c2O)C(C)(C)C)C(C)(C)C)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N06 compound treatment 0.435 0.085 1.0 0.421 0.071 1.0 -1.0 -1.0 1972514 ChemDiv1_004516 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c4cc(OC)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N07 compound treatment 0.36 0.01 1.0 0.356 0.006 1.0 -1.0 -1.0 1510773 ChemDiv1_004517 CC1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N08 compound treatment 0.413 0.063 1.0 0.406 0.056 1.0 -1.0 -1.0 1286217 ChemDiv1_004518 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N09 compound treatment 0.374 0.024 1.0 0.379 0.029 1.0 -1.0 -1.0 1457126 ChemDiv1_004519 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5ccccc5Br)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N10 compound treatment 0.412 0.062 1.0 0.403 0.053 1.0 -1.0 -1.0 1570438 ChemDiv1_004520 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(o3)N(C)C)c(=O)n2C1c4ccc(OC)cc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N11 compound treatment 0.335 -0.015 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1469965 ChemDiv1_004521 Cn1c(=O)n(C)c2nc(NCc3ccccc3)n(Cc4ccc(Br)cc4)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N12 compound treatment 0.382 0.032 1.0 0.362 0.012 1.0 -1.0 -1.0 1702217 ChemDiv1_004522 CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3OC)c(=O)n2C1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N13 compound treatment 0.367 0.017 1.0 0.362 0.012 1.0 -1.0 -1.0 1972515 ChemDiv1_004523 Cn1c(=O)n(C)c2nc(NCCOCCO)n(Cc3ccc(Cl)c(Cl)c3)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N14 compound treatment 0.406 0.056 1.0 0.388 0.038 1.0 -1.0 -1.0 1972516 ChemDiv1_004524 COc1ccc(C2C(=C(C)N=c3sc(=Cc4cc(C)n(c4C)c5ccccc5)c(=O)n23)C(=O)C)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N15 compound treatment 0.436 0.086 1.0 0.424 0.074 1.0 -1.0 -1.0 1218930 ChemDiv1_004525 CCn1c2ccccc2c3nc4cc(OC)c(OC)cc4nc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N16 compound treatment 0.354 0.004 1.0 0.356 0.006 1.0 -1.0 -1.0 1972517 ChemDiv1_004526 COc1ccc(C=c2sc3=NC(=C(C(c4c(OC)ccc5ccccc45)n3c2=O)C(=O)C)C)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N17 compound treatment 0.338 -0.012 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1232486 ChemDiv1_004527 CC(=O)Nc1nc2ccccc2n1Cc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N18 compound treatment 0.383 0.033 1.0 0.354 0.004 1.0 -1.0 -1.0 1972518 ChemDiv1_004528 CCOc1ccc(cc1)N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c3ccc(SC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N19 compound treatment 0.344 -0.006 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1701332 ChemDiv1_004529 Clc1ccc(OCc2nc3ccccc3c(=O)n2c4ccc(Br)cn4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N20 compound treatment 0.326 -0.024 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972519 ChemDiv1_004530 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)Nc2cccc(c2)C(F)(F)F)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N21 compound treatment 0.305 -0.045 -1.0 0.289 -0.061 -1.0 -1.0 -1.0 1972520 ChemDiv1_004531 CCOc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)c(OCC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N22 compound treatment 0.358 0.008 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972521 ChemDiv1_004532 COc1ccc(Cl)cc1N(CC(=O)NCc2ccccn2)S(=O)(=O)c3ccc(C)c(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 N24 positive control 0.086 -0.264 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O01 compound treatment 0.358 0.008 1.0 0.35 0.0 -1.0 -1.0 -1.0 1201459 ChemDiv1_004533 OC(=O)c1cc(NC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O)cc(c1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O02 compound treatment 0.347 -0.003 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1942909 ChemDiv1_004534 CCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O03 compound treatment 0.446 0.096 1.0 0.444 0.094 1.0 -1.0 -1.0 1972522 ChemDiv1_004535 Oc1c(Br)cc(/C=C\2/SC(=S)N(C2=O)c3ccc(cc3)[N+](=O)[O-])cc1[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O04 compound treatment 0.348 -0.002 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972523 ChemDiv1_004536 Cc1ccc(/N=C/2\NC(=O)\C(=C/3\C(=O)Nc4ccc(Br)cc34)\S2)cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O05 compound treatment 0.336 -0.014 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1972524 ChemDiv1_004537 Clc1ccc(COc2ccccc2/C=C\3/C(=O)NC(=O)N(CC=C)C3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O06 compound treatment 0.37 0.02 1.0 0.36 0.01 1.0 -1.0 -1.0 1972525 ChemDiv1_004538 Brc1ccc(CC2S/C(=N/c3ccccn3)/NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O07 compound treatment 0.572 0.222 1.0 0.567 0.217 1.0 -1.0 -1.0 1972526 ChemDiv1_004539 CCOc1cc(/C=C\2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O08 compound treatment 0.377 0.027 1.0 0.374 0.024 1.0 -1.0 -1.0 1972527 ChemDiv1_004540 CN1CCN(Cc2c(O)ccc3c(=O)c(c4ccccc4Cl)c(oc23)C(F)(F)F)CC1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O09 compound treatment 0.505 0.155 1.0 0.444 0.094 1.0 -1.0 -1.0 1972528 ChemDiv1_004541 Oc1c(Cl)cc(Br)cc1/C=C\2/S/C(=N/c3ccccc3)/NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O10 compound treatment 0.527 0.177 1.0 0.518 0.168 1.0 -1.0 -1.0 1972529 ChemDiv1_004542 O=C1/C(=C\Nc2cccnc2)/Sc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O11 compound treatment 0.426 0.076 1.0 0.416 0.066 1.0 -1.0 -1.0 1972530 ChemDiv1_004543 CCOc1cc(/C=C\2/S/C(=N/c3ccccc3)/NC2=O)ccc1OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O12 compound treatment 0.378 0.028 1.0 0.352 0.002 1.0 -1.0 -1.0 1972531 ChemDiv1_004544 C/C(=C/1\Sc2ccccc2C1=O)/Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O13 compound treatment 0.405 0.055 1.0 0.379 0.029 1.0 -1.0 -1.0 1972532 ChemDiv1_004545 COc1cc(/C=C\2/NC(=S)NC2=O)cc(Br)c1OC(=O)C3(CC4CC5CC(C4)C3)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O14 compound treatment 0.33 -0.02 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972533 ChemDiv1_004546 C/C(=C/1\Sc2ccccc2C1=O)/Nc3cccc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O15 compound treatment 0.492 0.142 1.0 0.457 0.107 1.0 -1.0 -1.0 1972534 ChemDiv1_004547 COc1ccccc1/C=C\2/S/C(=N/c3ccccc3Cl)/NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O16 compound treatment 0.458 0.108 1.0 0.438 0.088 1.0 -1.0 -1.0 1972535 ChemDiv1_004548 COc1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O17 compound treatment 0.35 0.0 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972536 ChemDiv1_004549 CN1C(=O)N(C)C(=O)C(=Cc2ccccc2OS(=O)(=O)c3ccccc3[N+](=O)[O-])C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O18 compound treatment 0.352 0.002 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972537 ChemDiv1_004550 Cc1ccc(cc1)c2csc3nc(oc(=O)c23)c4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O19 compound treatment 0.356 0.006 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1522963 ChemDiv1_004551 c1ccc(cc1)c2nnc(n3nnc4ccccc34)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O20 compound treatment 0.352 0.002 1.0 0.337 -0.013 -1.0 -1.0 -1.0 1472035 ChemDiv1_004552 CCc1nc2scc(c3cccs3)c2c(=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O21 compound treatment 0.348 -0.002 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1923861 ChemDiv1_004553 COc1ccccc1c2c(oc3cc(OC(=O)c4ccco4)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O22 compound treatment 0.359 0.009 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1463297 ChemDiv1_004554 CCOC(=O)c1c(C)n(c2ccc(I)cc2)c3ccc(O)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 O24 positive control 0.087 -0.263 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P01 compound treatment 0.371 0.021 1.0 0.379 0.029 1.0 -1.0 -1.0 1972538 ChemDiv1_004555 CCOC(=O)c1c(N/C=C/2\N=C(OC2=O)c3ccccc3)scc1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P02 compound treatment 0.359 0.009 1.0 0.354 0.004 1.0 -1.0 -1.0 1972539 ChemDiv1_004556 COc1cc(/C=C/2\Sc3ccccc3C2=O)c(Br)cc1OCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P03 compound treatment 0.357 0.007 1.0 0.358 0.008 1.0 -1.0 -1.0 1444873 ChemDiv1_004557 CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)scc1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P04 compound treatment 0.371 0.021 1.0 0.364 0.014 1.0 -1.0 -1.0 1249662 ChemDiv1_004558 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2C1c4ccc(SC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P05 compound treatment 0.382 0.032 1.0 0.361 0.011 1.0 -1.0 -1.0 1218907 ChemDiv1_004559 Cn1c(=O)n(C)c2nc(N3CCN(Cc4ccccc4)CC3)n(Cc5cccc(Cl)c5)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P06 compound treatment 0.384 0.034 1.0 0.363 0.013 1.0 -1.0 -1.0 1565872 ChemDiv1_004560 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(SC)cc3)c(=O)n2C1c4cc(OC)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P07 compound treatment 0.415 0.065 1.0 0.407 0.057 1.0 -1.0 -1.0 1548199 ChemDiv1_004561 Cn1c(=O)n(C)c2nc(NCc3ccc4OCOc4c3)n(Cc5cccc(Cl)c5)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P08 compound treatment 0.356 0.006 1.0 0.366 0.016 1.0 -1.0 -1.0 1614452 ChemDiv1_004562 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2C1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P09 compound treatment 0.403 0.053 1.0 0.383 0.033 1.0 -1.0 -1.0 1690412 ChemDiv1_004563 COc1ccc(CCNc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4cccc(Br)c4)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P10 compound treatment 0.372 0.022 1.0 0.358 0.008 1.0 -1.0 -1.0 1204469 ChemDiv1_004564 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(SC)cc3)c(=O)n2C1c4ccc(OC)cc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P11 compound treatment 0.38 0.03 1.0 0.355 0.005 1.0 -1.0 -1.0 1643100 ChemDiv1_004565 Cn1c(=O)n(C)c2nc(NCCc3ccccc3)n(Cc4ccc(Br)cc4)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P12 compound treatment 0.393 0.043 1.0 0.371 0.021 1.0 -1.0 -1.0 1325001 ChemDiv1_004566 CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(CC=C)c4ccccc34)c(=O)n2C1c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P13 compound treatment 0.382 0.032 1.0 0.378 0.028 1.0 -1.0 -1.0 1339246 ChemDiv1_004567 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4ccc(Cl)c(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P14 compound treatment 0.469 0.119 1.0 0.453 0.103 1.0 -1.0 -1.0 1209999 ChemDiv1_004568 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c4ccc(OC)cc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P15 compound treatment 0.517 0.167 1.0 0.492 0.142 1.0 -1.0 -1.0 1648069 ChemDiv1_004569 COc1cc2nc3n(C(C)C)c4ccccc4c3nc2cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P16 compound treatment 0.417 0.067 1.0 0.403 0.053 1.0 -1.0 -1.0 1972540 ChemDiv1_004570 COc1ccccc1C2C(=C(C)N=c3sc(=Cc4cc(OC)c(OC)c(OC)c4)c(=O)n23)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P17 compound treatment 0.357 0.007 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1409228 ChemDiv1_004571 CC(=O)Nc1nc2ccccc2n1Cc3ccccc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P18 compound treatment 0.4 0.05 1.0 0.383 0.033 1.0 -1.0 -1.0 1204228 ChemDiv1_004572 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P19 compound treatment 0.359 0.009 1.0 0.361 0.011 1.0 -1.0 -1.0 1938153 ChemDiv1_004573 CC1CCc2c(C1)sc3nc(oc(=O)c23)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P20 compound treatment 0.359 0.009 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972541 ChemDiv1_004574 [O-][N+](=O)c1cccc(c1)N(CC(=O)NCCSCc2ccc(Cl)cc2)S(=O)(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P21 compound treatment 0.406 0.056 1.0 0.401 0.051 1.0 -1.0 -1.0 1972542 ChemDiv1_004575 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)c(cc1OC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P22 compound treatment 0.353 0.003 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1949649 ChemDiv1_004576 COc1ccc(Cl)cc1N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c3ccc(C)c(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.599 P24 positive control 0.092 -0.258 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A01 compound treatment 0.355 0.005 1.0 0.361 0.011 1.0 -1.0 -1.0 1951696 ChemDiv1_004577 COc1ccc(Cl)cc1N(CC(=O)NCCCC(C)(C)C2OCCO2)S(=O)(=O)c3ccc(C)c(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A02 compound treatment 0.346 -0.004 -1.0 0.363 0.013 1.0 -1.0 -1.0 1972543 ChemDiv1_004578 COc1ccc(cc1)N2C(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A03 compound treatment 0.349 -0.001 -1.0 0.357 0.007 1.0 -1.0 -1.0 1972544 ChemDiv1_004579 C1C2CC3CC1CC(C2)C3Nc4nc5nonc5nc4NC6C7CC8CC(C7)CC6C8 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A04 compound treatment 0.366 0.016 1.0 0.375 0.025 1.0 -1.0 -1.0 1972545 ChemDiv1_004580 O=C1N(CSc2nnc(o2)c3ccco3)c4ccccc4C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A05 compound treatment 0.484 0.134 1.0 0.401 0.051 1.0 -1.0 -1.0 1168209 ChemDiv1_004581 COc1cc(C=c2sc3nc4c(C)c(C)ccc4n3c2=O)ccc1OC(C)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A06 compound treatment 0.348 -0.002 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1972546 ChemDiv1_004582 COc1ccc(cc1)S(=O)(=O)/N=C\2/NC(=O)/C(=C\c3cccnc3)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A07 compound treatment 0.35 0.0 -1.0 0.356 0.006 1.0 -1.0 -1.0 1972547 ChemDiv1_004583 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc(cc4C(F)(F)F)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A08 compound treatment 0.342 -0.008 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1972548 ChemDiv1_004584 [O-][N+](=O)c1ccc2nc(nc(c3ccccc3)c2c1)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A09 compound treatment 0.364 0.014 1.0 0.363 0.013 1.0 -1.0 -1.0 1972549 ChemDiv1_004585 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A10 compound treatment 0.337 -0.013 -1.0 0.353 0.003 1.0 -1.0 -1.0 1972550 ChemDiv1_004586 Fc1cccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)/SC2=S)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A11 compound treatment 0.346 -0.004 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972551 ChemDiv1_004587 Fc1ccc(cc1)c2nc3ccccc3c(=O)n2NC(=O)c4cc5cc(Br)ccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A12 compound treatment 0.425 0.075 1.0 0.43 0.08 1.0 -1.0 -1.0 1972552 ChemDiv1_004588 OC(=O)CN1C(=O)/C(=C/2\SC(=NC2=O)Nc3cccc(Cl)c3Cl)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A13 compound treatment 0.346 -0.004 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972553 ChemDiv1_004589 COC(=O)c1ccc(NC(=O)CSc2nnc(C)c3ccccc23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A14 compound treatment 0.333 -0.017 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972554 ChemDiv1_004590 COc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A15 compound treatment 0.362 0.012 1.0 0.366 0.016 1.0 -1.0 -1.0 1595733 ChemDiv1_004591 Cc1nn(CC(=O)Nc2ccc(cc2)S(=O)(=O)N)c(=O)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A16 compound treatment 0.35 0.0 -1.0 0.356 0.006 1.0 -1.0 -1.0 1972555 ChemDiv1_004592 O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)N6CCCCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A17 compound treatment 0.331 -0.019 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1570540 ChemDiv1_004593 COc1nnc(c2ccc(C)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A18 compound treatment 0.344 -0.006 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972556 ChemDiv1_004594 CCOC(=O)CSc1nnc(CCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A19 compound treatment 0.334 -0.016 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972557 ChemDiv1_004595 COc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)ccc1OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A20 compound treatment 0.34 -0.01 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972558 ChemDiv1_004596 Cc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A21 compound treatment 0.33 -0.02 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1946655 ChemDiv1_004597 COc1ccc(/C=C\2/C(=C(C#N)c3nc(N)c(C#N)c(C)c23)C)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A22 compound treatment 0.341 -0.009 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972559 ChemDiv1_004598 Cc1onc(c1C(=O)Nc2nnc(s2)c3cccc(c3)[N+](=O)[O-])c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 A24 positive control 0.078 -0.272 -1.0 0.078 -0.272 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B01 compound treatment 0.369 0.019 1.0 0.373 0.023 1.0 -1.0 -1.0 1972560 ChemDiv1_004599 CCC(=O)N1N=C(CC1c2ccccc2OC)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B02 compound treatment 0.344 -0.006 -1.0 0.351 0.001 1.0 -1.0 -1.0 1940813 ChemDiv1_004600 OCCCNC(=O)CCCSc1nc2sc3CCCCc3c2c(=O)[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B03 compound treatment 0.328 -0.022 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1303907 ChemDiv1_004601 Clc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B04 compound treatment 0.343 -0.007 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1527431 ChemDiv1_004602 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc(cs3)c4cc5ccccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B05 compound treatment 0.352 0.002 1.0 0.363 0.013 1.0 -1.0 -1.0 1466106 ChemDiv1_004603 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B06 compound treatment 0.331 -0.019 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972561 ChemDiv1_004604 O=C(CN1C(=O)c2ccccc2C1=O)N3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B07 compound treatment 0.322 -0.028 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972562 ChemDiv1_004605 [O-][N+](=O)c1ccccc1C2CC(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B08 compound treatment 0.343 -0.007 -1.0 0.356 0.006 1.0 -1.0 -1.0 1634578 ChemDiv1_004606 COc1ccc(cc1)c2csc3[nH]c(=S)n(CC=C)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B09 compound treatment 0.366 0.016 1.0 0.378 0.028 1.0 -1.0 -1.0 1972563 ChemDiv1_004607 CCOC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(OCC)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B10 compound treatment 0.338 -0.012 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1606278 ChemDiv1_004608 OCCNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B11 compound treatment 0.326 -0.024 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1490483 ChemDiv1_004609 COc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B12 compound treatment 0.332 -0.018 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1634864 ChemDiv1_004610 C=CCn1c(SCC(=O)N2CCCCC2)nc3sc4CCCc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B13 compound treatment 0.326 -0.024 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972564 ChemDiv1_004611 [O-][N+](=O)c1cccc(c1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B14 compound treatment 0.34 -0.01 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1940912 ChemDiv1_004612 C=CCn1c(SCC(=O)NCCCN2CCOCC2)nc3sc4CCCCc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B15 compound treatment 0.338 -0.012 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972565 ChemDiv1_004613 COC(=O)CSC1=C(C#N)C(CC(=O)N1)c2cc(Br)c(O)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B16 compound treatment 0.338 -0.012 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972566 ChemDiv1_004614 Cc1nn(C(=O)c2sc3ccccc3c2Cl)c(C)c1Sc4ccccc4[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B17 compound treatment 0.343 -0.007 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1372303 ChemDiv1_004615 Brc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(c1)C(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B18 compound treatment 0.333 -0.017 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1500447 ChemDiv1_004616 CCN1C(=O)c2cccc3c(NC(=O)c4cc(nc5ccccc45)c6cccs6)ccc1c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B19 compound treatment 0.329 -0.021 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1610800 ChemDiv1_004617 O=C(Nc1nc2c(ccc3ccccc23)s1)c4cc(=O)c5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B20 compound treatment 0.367 0.017 1.0 0.371 0.021 1.0 -1.0 -1.0 1273021 ChemDiv1_004618 COc1ccc(OC)c(c1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B21 compound treatment 0.338 -0.012 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972567 ChemDiv1_004619 COc1ccc(cc1)C2=NN(C(C2)c3cccc(c3)[N+](=O)[O-])S(=O)(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B22 compound treatment 0.371 0.021 1.0 0.371 0.021 1.0 -1.0 -1.0 1599333 ChemDiv1_004620 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3Cl)C(=O)CCCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 B24 positive control 0.079 -0.271 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C01 compound treatment 0.353 0.003 1.0 0.354 0.004 1.0 -1.0 -1.0 1716490 ChemDiv1_004621 CN(C)c1nc(N)nc2ncn(C)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C02 compound treatment 0.346 -0.004 -1.0 0.355 0.005 1.0 -1.0 -1.0 1924398 ChemDiv1_004622 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(o3)c4cc(ccc4Cl)C(=O)O)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C03 compound treatment 0.341 -0.009 -1.0 0.361 0.011 1.0 -1.0 -1.0 1339681 ChemDiv1_004623 COc1cc(ccc1OC(=O)N(C)C)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C04 compound treatment 0.518 0.168 1.0 0.531 0.181 1.0 -1.0 -1.0 1972568 ChemDiv1_004624 COc1cccc(c1)C(=O)/C=C\Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C05 compound treatment 0.339 -0.011 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972569 ChemDiv1_004625 CCOC(=O)c1ccc(Nc2nc3nonc3nc2NOC(=O)C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C06 compound treatment 0.328 -0.022 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972570 ChemDiv1_004626 Cc1ccc(cc1)S(=O)(=O)N2C(=O)/C(=C/3\SC(=S)N(CC=C)C3=O)/c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C07 compound treatment 0.324 -0.026 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1241444 ChemDiv1_004627 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)COc4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C08 compound treatment 0.397 0.047 1.0 0.408 0.058 1.0 -1.0 -1.0 1972571 ChemDiv1_004628 CC(N)C(=O)N1CCN(CC1)c2nc(c3ccccc3)c4cc(ccc4n2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C09 compound treatment 0.332 -0.018 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972572 ChemDiv1_004629 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc(C)c([N+](=O)[O-])c4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C10 compound treatment 0.333 -0.017 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972573 ChemDiv1_004630 Fc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C11 compound treatment 0.336 -0.014 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1714999 ChemDiv1_004631 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C12 compound treatment 0.361 0.011 1.0 0.366 0.016 1.0 -1.0 -1.0 1972574 ChemDiv1_004632 COc1ccccc1NC(=O)CCCN2C(=O)/C(=C/c3cccc(Br)c3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C13 compound treatment 0.338 -0.012 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1930575 ChemDiv1_004633 Cc1ccccc1NC(=O)CSc2nnc(C)c3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C14 compound treatment 0.442 0.092 1.0 0.449 0.099 1.0 -1.0 -1.0 1972575 ChemDiv1_004634 COc1cc(/C=C/2\SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C15 compound treatment 0.332 -0.018 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972576 ChemDiv1_004635 CCOC(=O)Cn1nc(C)c2ccccc2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C16 compound treatment 0.346 -0.004 -1.0 0.36 0.01 1.0 -1.0 -1.0 1972577 ChemDiv1_004636 O=C(CSc1nc2sc3CCCCc3c2c(=O)n1c4ccccc4)NCCCN5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C17 compound treatment 0.374 0.024 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1547279 ChemDiv1_004637 COc1nnc(c2ccc(Cl)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C18 compound treatment 0.338 -0.012 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1508911 ChemDiv1_004638 COC(=O)c1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2CC=C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C19 compound treatment 0.402 0.052 1.0 0.402 0.052 1.0 -1.0 -1.0 1972578 ChemDiv1_004639 OC(=O)c1ccccc1c2ccc(/C=C\3/C(=O)NC(=O)N(C3=O)c4ccccc4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C20 compound treatment 0.33 -0.02 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1524331 ChemDiv1_004640 COc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C21 compound treatment 0.381 0.031 1.0 0.364 0.014 1.0 -1.0 -1.0 1946942 ChemDiv1_004641 CC/1=C(C#N)c2nc(N)c(C#N)c(C)c2\C1=C\c3ccc(o3)c4ccccc4[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C22 compound treatment 0.336 -0.014 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1289875 ChemDiv1_004642 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CC(C)CC(C)C4)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 C24 positive control 0.081 -0.269 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D01 compound treatment 0.369 0.019 1.0 0.38 0.03 1.0 -1.0 -1.0 1972579 ChemDiv1_004643 CC(=O)N1N=C(CC1c2ccccc2F)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D02 compound treatment 0.37 0.02 1.0 0.37 0.02 1.0 -1.0 -1.0 1972580 ChemDiv1_004644 COc1ccccc1C2CC(=NN2C(=O)CCC(=O)O)c3c(c4ccccc4)c5cc(Br)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D03 compound treatment 0.351 0.001 1.0 0.369 0.019 1.0 -1.0 -1.0 1155069 ChemDiv1_004645 COc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D04 compound treatment 0.33 -0.02 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1178343 ChemDiv1_004646 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc5nc(C)sc5c4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D05 compound treatment 0.314 -0.036 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1164870 ChemDiv1_004647 CC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D06 compound treatment 0.307 -0.043 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1948716 ChemDiv1_004648 Fc1ccc(cc1)S(=O)(=O)N2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D07 compound treatment 0.309 -0.041 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972581 ChemDiv1_004649 Clc1ccc(C2CC(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D08 compound treatment 0.334 -0.016 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972582 ChemDiv1_004650 FC(F)(F)c1cccc(NC(=O)CSc2nnc3ccccn23)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D09 compound treatment 0.357 0.007 1.0 0.362 0.012 1.0 -1.0 -1.0 1972583 ChemDiv1_004651 CCCCOC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(OCC)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D10 compound treatment 0.333 -0.017 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1949763 ChemDiv1_004652 OC(=O)/C=C/c1ccc(cc1)S(=O)(=O)N2CCN(CCN3C(=O)C4C5CC(C=C5)C4C3=O)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D11 compound treatment 0.319 -0.031 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1359872 ChemDiv1_004653 COc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(C)cc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D12 compound treatment 0.332 -0.018 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1395902 ChemDiv1_004654 C=CCn1c(SCC(=O)NCc2ccco2)nc3sc4CCCc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D13 compound treatment 0.346 -0.004 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972584 ChemDiv1_004655 Clc1cccc(c1)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D14 compound treatment 0.328 -0.022 -1.0 0.36 0.01 1.0 -1.0 -1.0 1972585 ChemDiv1_004656 OCCCNC(=O)c1ccc(CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D15 compound treatment 0.318 -0.032 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972586 ChemDiv1_004657 CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c2cc(Br)c(O)c(OC)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D16 compound treatment 0.328 -0.022 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972587 ChemDiv1_004658 CC(C)N(C(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D17 compound treatment 0.329 -0.021 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1137778 ChemDiv1_004659 CCOC(=O)c1sc(cc1NC(=O)c2cc3ccccc3oc2=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D18 compound treatment 0.331 -0.019 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1257943 ChemDiv1_004660 CSc1nc2ccc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D19 compound treatment 0.331 -0.019 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1559252 ChemDiv1_004661 O=C(Nc1nc(cs1)c2cc3ccccc3oc2=O)c4cc(=O)c5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D20 compound treatment 0.362 0.012 1.0 0.36 0.01 1.0 -1.0 -1.0 1278691 ChemDiv1_004662 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D21 compound treatment 0.349 -0.001 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1972588 ChemDiv1_004663 OC(=O)CCC(=O)N1N=C(CC1c2ccco2)c3c(O)nc4ccc(Br)cc4c3c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D22 compound treatment 0.358 0.008 1.0 0.362 0.012 1.0 -1.0 -1.0 1308274 ChemDiv1_004664 COc1ccc(cc1)C2=NN(C(C2)c3ccc(Cl)cc3)C(=O)CCCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 D24 positive control 0.08 -0.27 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E01 compound treatment 0.357 0.007 1.0 0.367 0.017 1.0 -1.0 -1.0 1195375 ChemDiv1_004665 Cc1cc(C)n(n1)c2nc3nonc3nc2Nc4ccccc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E02 compound treatment 0.345 -0.005 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1972589 ChemDiv1_004666 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(cc4)c5cnc(nc5)c6ccc(cc6)N7C(=O)C8C9CC(C=C9)C8C7=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E03 compound treatment 0.331 -0.019 -1.0 0.358 0.008 1.0 -1.0 -1.0 1689319 ChemDiv1_004667 COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(OC)c1OC(=O)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E04 compound treatment 0.351 0.001 1.0 0.356 0.006 1.0 -1.0 -1.0 1972590 ChemDiv1_004668 Clc1ccc(CN2C(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E05 compound treatment 0.327 -0.023 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972591 ChemDiv1_004669 Fc1ccc(c2ccc(/C=C/3\Sc4ccccc4C3=O)o2)c(F)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E06 compound treatment 0.33 -0.02 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972592 ChemDiv1_004670 Cc1ccc(cc1)S(=O)(=O)N2C(=O)/C(=C/3\SC(=S)N(Cc4ccco4)C3=O)/c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E07 compound treatment 0.323 -0.027 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972593 ChemDiv1_004671 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc5cc(Br)ccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E08 compound treatment 0.338 -0.012 -1.0 0.355 0.005 1.0 -1.0 -1.0 1426744 ChemDiv1_004672 Fc1ccc(Cc2cnc(NC(=O)c3csc4CCCCc34)s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E09 compound treatment 0.377 0.027 1.0 0.384 0.034 1.0 -1.0 -1.0 1972594 ChemDiv1_004673 [O-][N+](=O)c1cc(C(=O)Nn2c(nc3ccccc3c2=O)c4cccs4)c(Cl)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E10 compound treatment 0.331 -0.019 -1.0 0.364 0.014 1.0 -1.0 -1.0 1951684 ChemDiv1_004674 Oc1ccc(Cl)cc1NC(=O)CCN2C(=O)/C(=C\c3cccs3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E11 compound treatment 0.324 -0.026 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1484799 ChemDiv1_004675 OCCNC(=O)Cc1n[nH]c(=O)c2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E12 compound treatment 0.413 0.063 1.0 0.421 0.071 1.0 -1.0 -1.0 1972595 ChemDiv1_004676 OC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(Br)c3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E13 compound treatment 0.35 0.0 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972596 ChemDiv1_004677 Cc1ccc(NC(=O)CSc2nnc(C)c3ccccc23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E14 compound treatment 0.278 -0.072 -1.0 0.303 -0.047 -1.0 -1.0 -1.0 1972597 ChemDiv1_004678 COc1cc(/C=C/2\SC(=S)N(CC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E15 compound treatment 0.36 0.01 1.0 0.377 0.027 1.0 -1.0 -1.0 1284873 ChemDiv1_004679 CC(=O)Nc1ccc(Oc2nnc(c3ccccc3)c4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E16 compound treatment 0.378 0.028 1.0 0.38 0.03 1.0 -1.0 -1.0 1941241 ChemDiv1_004680 O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCc6ccccn6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E17 compound treatment 0.324 -0.026 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1458322 ChemDiv1_004681 COc1ccc(cc1)c2nnc(OC)c3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E18 compound treatment 0.324 -0.026 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1945419 ChemDiv1_004682 O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)NCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E19 compound treatment 0.311 -0.039 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1972598 ChemDiv1_004683 COc1cc(ccc1c2ccc(/C=C\3/C(=O)NC(=O)N(C3=O)c4ccccc4)o2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E20 compound treatment 0.322 -0.028 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1297436 ChemDiv1_004684 CCOc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E21 compound treatment 0.34 -0.01 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1946487 ChemDiv1_004685 CC/1=C(C#N)c2nc(N)c(C#N)c(C)c2\C1=C/c3ccc(Br)o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E22 compound treatment 0.341 -0.009 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1315776 ChemDiv1_004686 CCOc1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CC(C)CC(C)C4)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 E24 positive control 0.083 -0.267 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F01 compound treatment 0.418 0.068 1.0 0.417 0.067 1.0 -1.0 -1.0 1972599 ChemDiv1_004687 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2F)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F02 compound treatment 0.35 0.0 -1.0 0.356 0.006 1.0 -1.0 -1.0 1946341 ChemDiv1_004688 COc1ccc(cc1)C(=O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F03 compound treatment 0.369 0.019 1.0 0.395 0.045 1.0 -1.0 -1.0 1280694 ChemDiv1_004689 COc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F04 compound treatment 0.359 0.009 1.0 0.364 0.014 1.0 -1.0 -1.0 1972600 ChemDiv1_004690 [O-][N+](=O)c1csc(c1)c2csc(NC(=O)c3cc(nc4ccccc34)c5cccs5)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F05 compound treatment 0.335 -0.015 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1782841 ChemDiv1_004691 CN1CCN(CC1)c2nc3n(C)c(=O)[nH]c(=O)c3n2CC(=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F06 compound treatment 0.314 -0.036 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972601 ChemDiv1_004692 Fc1ccc(cc1)C(=O)CSc2nnc(C3COc4ccccc4O3)n2c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F07 compound treatment 0.364 0.014 1.0 0.384 0.034 1.0 -1.0 -1.0 1160082 ChemDiv1_004693 CCOC(=O)c1sc2nc(N)c(C#N)c(c3ccc(OCC)cc3)c2c1N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F08 compound treatment 0.347 -0.003 -1.0 0.364 0.014 1.0 -1.0 -1.0 1972602 ChemDiv1_004694 Cc1cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F09 compound treatment 0.335 -0.015 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972603 ChemDiv1_004695 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)OCc3ccccc3)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F10 compound treatment 0.343 -0.007 -1.0 0.356 0.006 1.0 -1.0 -1.0 1940853 ChemDiv1_004696 OCCCNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F11 compound treatment 0.315 -0.035 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1526154 ChemDiv1_004697 COc1ccc(cc1)C(=O)c2sc3nc(N)c(C#N)c(c4ccc(OC)cc4)c3c2N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F12 compound treatment 0.342 -0.008 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1697403 ChemDiv1_004698 C=CCn1c(SCC(=O)N2CCOCC2)nc3sc4CCCc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F13 compound treatment 0.346 -0.004 -1.0 0.357 0.007 1.0 -1.0 -1.0 1223221 ChemDiv1_004699 CCOC(=O)c1sc2nc(N)c(C#N)c(c3ccc(OC)c(OC)c3)c2c1N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F14 compound treatment 0.335 -0.015 -1.0 0.361 0.011 1.0 -1.0 -1.0 1712761 ChemDiv1_004700 OCCNC(=O)c1ccc(CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F15 compound treatment 0.309 -0.041 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1972604 ChemDiv1_004701 CCOc1ccc(cc1)C2C(C(=O)OC)C(=O)NC(=C2C#N)SCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F16 compound treatment 0.334 -0.016 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972605 ChemDiv1_004702 CCNc1nc(NCC)n2c(SCC(=O)c3ccc(cc3)C(C)C)nnc2n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F17 compound treatment 0.314 -0.036 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1972606 ChemDiv1_004703 [O-][N+](=O)c1ccc2sc(cc2c1)C(=O)Nc3nc(cs3)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F18 compound treatment 0.362 0.012 1.0 0.375 0.025 1.0 -1.0 -1.0 1972607 ChemDiv1_004704 FC(F)(F)C(=O)c1sc(NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3)nc1c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F19 compound treatment 0.337 -0.013 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1572199 ChemDiv1_004705 CCOC(=O)c1sc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)OCC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F20 compound treatment 0.344 -0.006 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1656582 ChemDiv1_004706 COc1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F21 compound treatment 0.372 0.022 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1251575 ChemDiv1_004707 CCN(CC)c1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F22 compound treatment 0.361 0.011 1.0 0.361 0.011 1.0 -1.0 -1.0 1330313 ChemDiv1_004708 COc1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 F24 positive control 0.084 -0.266 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G01 compound treatment 0.342 -0.008 -1.0 0.36 0.01 1.0 -1.0 -1.0 1511107 ChemDiv1_004709 Cc1cccc(Nc2nc3nonc3nc2N4CCCCC4)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G02 compound treatment 0.332 -0.018 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972608 ChemDiv1_004710 [O-][N+](=O)c1ccc2C(=O)N(C(=O)c2c1)c3ccc(cc3)c4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G03 compound treatment 0.379 0.029 1.0 0.399 0.049 1.0 -1.0 -1.0 1972609 ChemDiv1_004711 COc1cc(/C=C/2\S/C(=N\c3ccc4OCOc4c3)/N(C2=O)c5ccc6OCOc6c5)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G04 compound treatment 0.342 -0.008 -1.0 0.356 0.006 1.0 -1.0 -1.0 1972610 ChemDiv1_004712 [O-][N+](=O)c1ccc2NC(=O)/C(=C/3\SC(=S)N(Cc4ccc(Cl)cc4)C3=O)/c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G05 compound treatment 0.343 -0.007 -1.0 0.366 0.016 1.0 -1.0 -1.0 1431118 ChemDiv1_004713 COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G06 compound treatment 0.333 -0.017 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1320036 ChemDiv1_004714 CC(=O)N(Cc1nc2ccccc2c3nc4ccccc4n13)c5ccccc5Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G07 compound treatment 0.349 -0.001 -1.0 0.362 0.012 1.0 -1.0 -1.0 1972611 ChemDiv1_004715 [O-][N+](=O)c1ccc(/C=C/C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G08 compound treatment 0.389 0.039 1.0 0.379 0.029 1.0 -1.0 -1.0 1972612 ChemDiv1_004716 CCc1nnc(/N=C\2/S\C(=C/c3ccccc3F)\C(=O)N2CC=C)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G09 compound treatment 0.34 -0.01 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972613 ChemDiv1_004717 O=C(Nn1c(nc2ccccc2c1=O)c3cccs3)c4cc5ccccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G10 compound treatment 0.756 0.406 1.0 0.735 0.385 1.0 -1.0 -1.0 1928130 ChemDiv1_004718 OC(=O)c1cccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)/SC2=S)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G11 compound treatment 0.339 -0.011 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1557433 ChemDiv1_004719 O=C(CSc1nc2ccccc2o1)NCc3n[nH]c(=O)c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G12 compound treatment 0.38 0.03 1.0 0.406 0.056 1.0 -1.0 -1.0 1928020 ChemDiv1_004720 Brc1cccc(/C=C/2\SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G13 compound treatment 0.341 -0.009 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972614 ChemDiv1_004721 Cc1ccc(C)c(NC(=O)CSc2nnc(C)c3ccccc23)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G14 compound treatment 0.416 0.066 1.0 0.393 0.043 1.0 -1.0 -1.0 1972615 ChemDiv1_004722 COc1cc(/C=C/2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G15 compound treatment 0.342 -0.008 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1463821 ChemDiv1_004723 COc1ccc(cc1)c2nnc(N3CCOCC3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G16 compound treatment 0.37 0.02 1.0 0.369 0.019 1.0 -1.0 -1.0 1941131 ChemDiv1_004724 O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCCCn6ccnc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G17 compound treatment 0.338 -0.012 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1486653 ChemDiv1_004725 COc1ccc(cc1)c2nnc(N3CCCCC3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G18 compound treatment 0.375 0.025 1.0 0.372 0.022 1.0 -1.0 -1.0 1945357 ChemDiv1_004726 CCOC(=O)CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G19 compound treatment 0.357 0.007 1.0 0.361 0.011 1.0 -1.0 -1.0 1927371 ChemDiv1_004727 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cc(C)cc(C)c3)cc(OC)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G20 compound treatment 0.328 -0.022 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1873276 ChemDiv1_004728 CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)OC)C#N)c2ccccc2OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G21 compound treatment 0.343 -0.007 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1946662 ChemDiv1_004729 CC/1=C(C#N)c2nc(N)c(C#N)c(C)c2\C1=C/c3ccc(o3)c4ccc(cc4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G22 compound treatment 0.337 -0.013 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1674741 ChemDiv1_004730 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(Cl)cc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 G24 positive control 0.084 -0.266 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H01 compound treatment 0.425 0.075 1.0 0.429 0.079 1.0 -1.0 -1.0 1972616 ChemDiv1_004731 OC(=O)CCC(=O)N1N=C(CC1c2ccc(Br)cc2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H02 compound treatment 0.341 -0.009 -1.0 0.36 0.01 1.0 -1.0 -1.0 1941000 ChemDiv1_004732 Fc1ccc(cc1)C(=O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H03 compound treatment 0.379 0.029 1.0 0.397 0.047 1.0 -1.0 -1.0 1191359 ChemDiv1_004733 Clc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H04 compound treatment 0.382 0.032 1.0 0.385 0.035 1.0 -1.0 -1.0 1941214 ChemDiv1_004734 OCCCNC(=O)CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H05 compound treatment 0.337 -0.013 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1782845 ChemDiv1_004735 CN1CCN(CC1)c2nc3n(C)c(=O)[nH]c(=O)c3n2CC(O)COc4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H06 compound treatment 0.364 0.014 1.0 0.37 0.02 1.0 -1.0 -1.0 1972617 ChemDiv1_004736 COc1ccc(cc1)C(=O)CSc2nnc(c3ccc4OCOc4c3)n2c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H07 compound treatment 0.352 0.002 1.0 0.37 0.02 1.0 -1.0 -1.0 1661403 ChemDiv1_004737 CCOc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H08 compound treatment 0.334 -0.016 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972618 ChemDiv1_004738 Brc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H09 compound treatment 0.344 -0.006 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972619 ChemDiv1_004739 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)c3ccccc3)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H10 compound treatment 0.329 -0.021 -1.0 0.352 0.002 1.0 -1.0 -1.0 1949850 ChemDiv1_004740 O=C(CN1C(=O)c2cccc3cccc(C1=O)c23)N4CCN(CCN5C(=O)C6C7CC(C=C7)C6C5=O)CC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H11 compound treatment 0.351 0.001 1.0 0.358 0.008 1.0 -1.0 -1.0 1288245 ChemDiv1_004741 COc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H12 compound treatment 0.333 -0.017 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1527352 ChemDiv1_004742 OCCN(CCO)C(=O)CSc1nc2sc3CCCc3c2c(=O)n1CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H13 compound treatment 0.374 0.024 1.0 0.377 0.027 1.0 -1.0 -1.0 1716831 ChemDiv1_004743 COc1ccc(cc1OC)c2c(C#N)c(N)nc3sc(C(=O)N)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H14 compound treatment 0.352 0.002 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1725986 ChemDiv1_004744 C=CCn1c(SCC(=O)N2CCCCC2)nc3sc4CCCCc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H15 compound treatment 0.341 -0.009 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1432560 ChemDiv1_004745 CC1CCc2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H16 compound treatment 0.336 -0.014 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1972620 ChemDiv1_004746 CCNc1nc(NCC)n2c(SCC(=O)c3ccc(cc3)C(C)(C)C)nnc2n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H17 compound treatment 0.344 -0.006 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972621 ChemDiv1_004747 Oc1ccc(NC(=O)c2cc3cc(ccc3s2)[N+](=O)[O-])cc1c4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H18 compound treatment 0.333 -0.017 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1563078 ChemDiv1_004748 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCc5ccccc45)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H19 compound treatment 0.343 -0.007 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1470888 ChemDiv1_004749 O=C(Nc1nc(cs1)c2ccc3OCOc3c2)c4cc(=O)c5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H20 compound treatment 0.368 0.018 1.0 0.35 0.0 -1.0 -1.0 -1.0 1682202 ChemDiv1_004750 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCCC(=O)O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H21 compound treatment 0.363 0.013 1.0 0.361 0.011 1.0 -1.0 -1.0 1599263 ChemDiv1_004751 CCN(CC)c1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H22 compound treatment 0.373 0.023 1.0 0.372 0.022 1.0 -1.0 -1.0 1417710 ChemDiv1_004752 COc1ccc(cc1)C2=NN(C(C2)c3cc(OC)ccc3OC)C(=O)CCCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 H24 positive control 0.084 -0.266 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I01 compound treatment 0.362 0.012 1.0 0.367 0.017 1.0 -1.0 -1.0 1694352 ChemDiv1_004753 Cc1ccccc1Nc2nc3nonc3nc2N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I02 compound treatment 0.357 0.007 1.0 0.373 0.023 1.0 -1.0 -1.0 1946250 ChemDiv1_004754 O=C(Nc1cccc(c1)c2nc3ccccc3o2)c4ccc(cc4)N5C(=O)C6C7CC(C=C7)C6C5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I03 compound treatment 0.383 0.033 1.0 0.388 0.038 1.0 -1.0 -1.0 1972622 ChemDiv1_004755 Cc1ccc2c(nc3sc(=Cc4cc([N+](=O)[O-])c(cc4N5CCOCC5)N6CCOCC6)c(=O)n32)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I04 compound treatment 0.41 0.06 1.0 0.418 0.068 1.0 -1.0 -1.0 1972623 ChemDiv1_004756 COc1ccc(cc1)S(=O)(=O)/N=C\2/NC(=O)/C(=C\3/C(=O)Nc4ccc(Cl)cc34)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I05 compound treatment 0.381 0.031 1.0 0.383 0.033 1.0 -1.0 -1.0 1942668 ChemDiv1_004757 COc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)cc3sc(=O)oc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I06 compound treatment 0.34 -0.01 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1308050 ChemDiv1_004758 c1c(nc2c3ccccc3ccn12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I07 compound treatment 0.353 0.003 1.0 0.365 0.015 1.0 -1.0 -1.0 1554519 ChemDiv1_004759 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)COc4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I08 compound treatment 0.396 0.046 1.0 0.412 0.062 1.0 -1.0 -1.0 1942602 ChemDiv1_004760 Brc1ccccc1C(=O)NN2C(=O)/C(=C\3/C(=O)Nc4ccccc34)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I09 compound treatment 0.36 0.01 1.0 0.365 0.015 1.0 -1.0 -1.0 1972624 ChemDiv1_004761 Cc1c(Br)c(nn1CC(=O)Nn2c(nc3ccccc3c2=O)c4cccs4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I10 compound treatment 0.352 0.002 1.0 0.367 0.017 1.0 -1.0 -1.0 1972625 ChemDiv1_004762 O=C(CCN1C(=O)/C(=C\c2cccs2)/SC1=S)Nc3ccccn3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I11 compound treatment 0.347 -0.003 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1328429 ChemDiv1_004763 Cc1nnc(Nc2ccccc2O)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I12 compound treatment 0.356 0.006 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972626 ChemDiv1_004764 CC(=O)N1C(=O)/C(=C/2\SC(=NC2=O)Nc3ccc(Br)cc3)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I13 compound treatment 0.348 -0.002 -1.0 0.356 0.006 1.0 -1.0 -1.0 1972627 ChemDiv1_004765 Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I14 compound treatment 0.415 0.065 1.0 0.418 0.068 1.0 -1.0 -1.0 1972628 ChemDiv1_004766 COc1cc(/C=C/2\SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I15 compound treatment 0.343 -0.007 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1179090 ChemDiv1_004767 CCCOC(=O)c1ccc(cc1)c2n[nH]c(=O)c3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I16 compound treatment 0.331 -0.019 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1948540 ChemDiv1_004768 Cc1sc2nc(SCC(=O)NCCCN3CCOCC3)n(c4ccccc4)c(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I17 compound treatment 0.373 0.023 1.0 0.371 0.021 1.0 -1.0 -1.0 1239167 ChemDiv1_004769 COc1ccc(cc1)c2nnc(NCc3nc4ccccc4[nH]3)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I18 compound treatment 0.343 -0.007 -1.0 0.352 0.002 1.0 -1.0 -1.0 1945961 ChemDiv1_004770 CCOC(=O)CSc1nnc(c2ccncc2)n1c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I19 compound treatment 0.355 0.005 1.0 0.359 0.009 1.0 -1.0 -1.0 1972629 ChemDiv1_004771 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc(OC)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I20 compound treatment 0.33 -0.02 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1873278 ChemDiv1_004772 CCOC(=O)CSC1=C(C#N)C(C(C(=O)OCC)C(=O)N1)c2ccccc2OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I21 compound treatment 0.341 -0.009 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1947065 ChemDiv1_004773 COc1cc(ccc1c2ccc(/C=C\3/C(=C(C#N)c4nc(N)c(C#N)c(C)c34)C)o2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I22 compound treatment 0.342 -0.008 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1230321 ChemDiv1_004774 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(Br)cc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 I24 positive control 0.084 -0.266 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J01 compound treatment 0.377 0.027 1.0 0.398 0.048 1.0 -1.0 -1.0 1273795 ChemDiv1_004775 NS(=O)(=O)c1ccc2nc(NC(=O)c3cc(nc4ccccc34)c5ccccc5)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J02 compound treatment 0.373 0.023 1.0 0.388 0.038 1.0 -1.0 -1.0 1972630 ChemDiv1_004776 Fc1ccc(cc1)c2csc(NC(=O)CCCN3C(=O)c4cccc5cccc(C3=O)c45)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J03 compound treatment 0.372 0.022 1.0 0.379 0.029 1.0 -1.0 -1.0 1519314 ChemDiv1_004777 Clc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J04 compound treatment 0.346 -0.004 -1.0 0.357 0.007 1.0 -1.0 -1.0 1972631 ChemDiv1_004778 OCCCNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J05 compound treatment 0.389 0.039 1.0 0.392 0.042 1.0 -1.0 -1.0 1940699 ChemDiv1_004779 O=C(N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c5ccc(cc5)S(=O)(=O)N6CCOCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J06 compound treatment 0.334 -0.016 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1156589 ChemDiv1_004780 C=CCSc1nc2ccccc2n1C(=O)CN3C(=O)c4ccccc4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J07 compound treatment 0.356 0.006 1.0 0.367 0.017 1.0 -1.0 -1.0 1400349 ChemDiv1_004781 CCOc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J08 compound treatment 0.335 -0.015 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972632 ChemDiv1_004782 Cc1ccc(cc1C)c2nnc(SC(F)F)c3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J09 compound treatment 0.369 0.019 1.0 0.366 0.016 1.0 -1.0 -1.0 1972633 ChemDiv1_004783 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)c3ccc(C)cc3)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J10 compound treatment 0.349 -0.001 -1.0 0.352 0.002 1.0 -1.0 -1.0 1478057 ChemDiv1_004784 C=CCn1c(SCC(=O)NCc2cccnc2)nc3sc4CCCCc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J11 compound treatment 0.36 0.01 1.0 0.366 0.016 1.0 -1.0 -1.0 1972634 ChemDiv1_004785 CCOC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(OC)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J12 compound treatment 0.35 0.0 -1.0 0.352 0.002 1.0 -1.0 -1.0 1210944 ChemDiv1_004786 Cc1sc2nc(SCC(=O)N3CCN(CCO)CC3)n(CC=C)c(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J13 compound treatment 0.376 0.026 1.0 0.379 0.029 1.0 -1.0 -1.0 1217980 ChemDiv1_004787 COc1ccc(cc1OC)c2c(C#N)c(N)nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J14 compound treatment 0.339 -0.011 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1540046 ChemDiv1_004788 COC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCN(CCN3C(=O)C4C5CC(C=C5)C4C3=O)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J15 compound treatment 0.349 -0.001 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1687347 ChemDiv1_004789 Brc1ccc(cc1)c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J16 compound treatment 0.339 -0.011 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972635 ChemDiv1_004790 CCNc1nc(NCC)n2c(SCC(=O)N(C(C)C)c3ccccc3)nnc2n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J17 compound treatment 0.346 -0.004 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972636 ChemDiv1_004791 [O-][N+](=O)c1ccc2sc(cc2c1)C(=O)Nc3ccc(Cl)cc3C(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J18 compound treatment 0.371 0.021 1.0 0.372 0.022 1.0 -1.0 -1.0 1246111 ChemDiv1_004792 COc1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J19 compound treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1642814 ChemDiv1_004793 CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3CCC(C)Cc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J20 compound treatment 0.367 0.017 1.0 0.35 0.0 -1.0 -1.0 -1.0 1692422 ChemDiv1_004794 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J21 compound treatment 0.348 -0.002 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1163233 ChemDiv1_004795 COc1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3cccs3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J22 compound treatment 0.347 -0.003 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1221586 ChemDiv1_004796 COc1ccc(cc1)C2=NN(C(C2)c3cc4ccc(C)cc4nc3Cl)C(=O)CCCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 J24 positive control 0.084 -0.266 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K01 compound treatment 0.357 0.007 1.0 0.364 0.014 1.0 -1.0 -1.0 1421740 ChemDiv1_004797 CC(C)Nc1nc2nonc2nc1Nc3cccc(C)c3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K02 compound treatment 0.339 -0.011 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972637 ChemDiv1_004798 CCN1C(=O)c2ccc(cc2C1=O)c3ccc(/C=C/4\C(=NN(C4=O)c5ccc(cc5)C(=O)O)C)o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K03 compound treatment 0.416 0.066 1.0 0.422 0.072 1.0 -1.0 -1.0 1509448 ChemDiv1_004799 COc1cc(ccc1OC(=O)N(C)C)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K04 compound treatment 0.471 0.121 1.0 0.488 0.138 1.0 -1.0 -1.0 1972638 ChemDiv1_004800 COc1ccc(cc1)S(=O)(=O)/N=C\2/NC(=O)/C(=C\3/C(=O)Nc4ccc(cc34)[N+](=O)[O-])/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K05 compound treatment 0.327 -0.023 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972639 ChemDiv1_004801 Cc1ccc(Nc2nc3nonc3nc2Nc4ccccc4OC(=O)c5ccccc5)cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K06 compound treatment 0.381 0.031 1.0 0.382 0.032 1.0 -1.0 -1.0 1426065 ChemDiv1_004802 Clc1ccc(cc1)c2cn3ccc4ccccc4c3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K07 compound treatment 0.333 -0.017 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1353631 ChemDiv1_004803 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NC(=O)COc4cccc(C)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K08 compound treatment 0.352 0.002 1.0 0.356 0.006 1.0 -1.0 -1.0 1922566 ChemDiv1_004804 CN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3cccc(Br)c3)/c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K09 compound treatment 0.353 0.003 1.0 0.36 0.01 1.0 -1.0 -1.0 1972640 ChemDiv1_004805 Cc1c(Br)c(nn1CC(=O)Nn2c(nc3ccccc3c2=O)c4cccc(Cl)c4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K10 compound treatment 0.343 -0.007 -1.0 0.357 0.007 1.0 -1.0 -1.0 1923919 ChemDiv1_004806 O=C(CCN1C(=O)/C(=C/c2cccs2)/SC1=S)NC3(CC4CC5CC(C4)C3)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K11 compound treatment 0.324 -0.026 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1672206 ChemDiv1_004807 Cc1nnc(Nc2ccc(cc2)C(=O)NCCO)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K12 compound treatment 0.347 -0.003 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1928039 ChemDiv1_004808 CCOc1ccccc1NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K13 compound treatment 0.334 -0.016 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972641 ChemDiv1_004809 Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K14 compound treatment 0.373 0.023 1.0 0.38 0.03 1.0 -1.0 -1.0 1940864 ChemDiv1_004810 CCOC(=O)CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K15 compound treatment 0.353 0.003 1.0 0.364 0.014 1.0 -1.0 -1.0 1972642 ChemDiv1_004811 CCCCOC(=O)c1ccc(cc1)c2n[nH]c(=O)c3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K16 compound treatment 0.34 -0.01 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1941229 ChemDiv1_004812 Cc1sc2nc(SCC(=O)NCCO)n(c3ccccc3)c(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K17 compound treatment 0.337 -0.013 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972643 ChemDiv1_004813 COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K18 compound treatment 0.342 -0.008 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972644 ChemDiv1_004814 O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)NCCCN4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K19 compound treatment 0.342 -0.008 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972645 ChemDiv1_004815 OC(=O)c1ccccc1c2ccc(/C=C/3\C(=O)NC(=O)N(C3=O)c4ccc(F)cc4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K20 compound treatment 0.343 -0.007 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1452858 ChemDiv1_004816 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4cccc(F)c4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K21 compound treatment 0.338 -0.012 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1946730 ChemDiv1_004817 CC/1=C(C#N)c2nc(N)c(C#N)c(C)c2\C1=C/c3ccc(o3)c4cccc(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K22 compound treatment 0.346 -0.004 -1.0 0.353 0.003 1.0 -1.0 -1.0 1413062 ChemDiv1_004818 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(cc4s3)S(=O)(=O)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 K24 positive control 0.084 -0.266 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L01 compound treatment 0.386 0.036 1.0 0.398 0.048 1.0 -1.0 -1.0 1787254 ChemDiv1_004819 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)c3cc(nc4ccccc34)c5ccccc5)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L02 compound treatment 0.386 0.036 1.0 0.391 0.041 1.0 -1.0 -1.0 1972646 ChemDiv1_004820 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)CCCN3C(=O)c4cccc5cccc(C3=O)c45)cc2)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L03 compound treatment 0.388 0.038 1.0 0.403 0.053 1.0 -1.0 -1.0 1612624 ChemDiv1_004821 COc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L04 compound treatment 0.346 -0.004 -1.0 0.356 0.006 1.0 -1.0 -1.0 1948876 ChemDiv1_004822 O=C(N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L05 compound treatment 0.374 0.024 1.0 0.396 0.046 1.0 -1.0 -1.0 1943902 ChemDiv1_004823 O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)N4CCN(Cc5ccc6OCOc6c5)CC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L06 compound treatment 0.332 -0.018 -1.0 0.354 0.004 1.0 -1.0 -1.0 1509679 ChemDiv1_004824 Cc1ccc(Sc2c(nc3ccccn23)c4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L07 compound treatment 0.336 -0.014 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1252445 ChemDiv1_004825 CCOc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(C)cc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L08 compound treatment 0.332 -0.018 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1275320 ChemDiv1_004826 Cc1ccc(cc1C)c2nnc(n3nnc4ccccc34)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L09 compound treatment 0.374 0.024 1.0 0.375 0.025 1.0 -1.0 -1.0 1972647 ChemDiv1_004827 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)c3ccc(OC)cc3)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L10 compound treatment 0.351 0.001 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972648 ChemDiv1_004828 Cc1sc2nc(SCC(=O)NCc3ccco3)n(CC=C)c(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L11 compound treatment 0.358 0.008 1.0 0.36 0.01 1.0 -1.0 -1.0 1972649 ChemDiv1_004829 CCCCOC(=O)CSc1nc(N)c(C#N)c(c1C#N)c2ccc(OC)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L12 compound treatment 0.365 0.015 1.0 0.37 0.02 1.0 -1.0 -1.0 1940960 ChemDiv1_004830 O=C(CSc1nnc(CN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCc6ccco6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L13 compound treatment 0.368 0.018 1.0 0.378 0.028 1.0 -1.0 -1.0 1383626 ChemDiv1_004831 COc1ccc(cc1OC)c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L14 compound treatment 0.355 0.005 1.0 0.357 0.007 1.0 -1.0 -1.0 1212649 ChemDiv1_004832 Cc1sc2nc(SCc3ccc(cc3)C(=O)NCCO)n(CC=C)c(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L15 compound treatment 0.352 0.002 1.0 0.357 0.007 1.0 -1.0 -1.0 1972650 ChemDiv1_004833 Brc1ccc(s1)c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L16 compound treatment 0.353 0.003 1.0 0.35 0.0 -1.0 -1.0 -1.0 1647746 ChemDiv1_004834 CCc1nnc2sc(nn12)c3ccc(OC)c(OC)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L17 compound treatment 0.346 -0.004 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972651 ChemDiv1_004835 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(cc4s3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L18 compound treatment 0.384 0.034 1.0 0.38 0.03 1.0 -1.0 -1.0 1972652 ChemDiv1_004836 OC(=O)CCCC(=O)N1N=C(CC1c2ccc(Cl)cc2)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L19 compound treatment 0.313 -0.037 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1939962 ChemDiv1_004837 CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3C(=O)c4ccccc4C(=O)c23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L20 compound treatment 0.377 0.027 1.0 0.376 0.026 1.0 -1.0 -1.0 1217188 ChemDiv1_004838 COc1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L21 compound treatment 0.342 -0.008 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1678372 ChemDiv1_004839 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3cccs3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L22 compound treatment 0.366 0.016 1.0 0.368 0.018 1.0 -1.0 -1.0 1785229 ChemDiv1_004840 CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(=O)O)c4ccc(C)cc4)c(=O)[nH]c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 L24 positive control 0.085 -0.265 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M01 compound treatment 0.357 0.007 1.0 0.363 0.013 1.0 -1.0 -1.0 1430945 ChemDiv1_004841 OCCNc1nc2nonc2nc1Nc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M02 compound treatment 0.339 -0.011 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1702630 ChemDiv1_004842 COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)c4ccccc4)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M03 compound treatment 0.389 0.039 1.0 0.411 0.061 1.0 -1.0 -1.0 1972653 ChemDiv1_004843 CC(=O)/N=C\1/NC(=O)/C(=C/c2ccc(o2)c3ccc(F)cc3F)/S1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M04 compound treatment 0.482 0.132 1.0 0.429 0.079 1.0 -1.0 -1.0 1972654 ChemDiv1_004844 COc1ccc(cc1)S(=O)(=O)/N=C\2/NC(=O)/C(=C\3/C(=O)N(C)c4ccccc34)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M05 compound treatment 0.34 -0.01 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1155316 ChemDiv1_004845 COc1cc(ccc1OCc2ccc(F)cc2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M06 compound treatment 0.374 0.024 1.0 0.369 0.019 1.0 -1.0 -1.0 1385987 ChemDiv1_004846 Brc1ccc(cc1)c2cn3ccc4ccccc4c3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M07 compound treatment 0.412 0.062 1.0 0.423 0.073 1.0 -1.0 -1.0 1544072 ChemDiv1_004847 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc(nc5ccccc45)c6ccncc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M08 compound treatment 0.379 0.029 1.0 0.395 0.045 1.0 -1.0 -1.0 1972655 ChemDiv1_004848 Cc1cccc(NC2=NC(=O)/C(=C\3/C(=O)Nc4ccc(Br)cc34)/S2)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M09 compound treatment 0.333 -0.017 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972656 ChemDiv1_004849 Cc1c(Br)c(nn1CC(=O)Nn2c(nc3ccccc3c2=O)c4cccs4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M10 compound treatment 0.433 0.083 1.0 0.379 0.029 1.0 -1.0 -1.0 1972657 ChemDiv1_004850 COc1ccc(/C=C/2\SC(=NC2=O)N3CCN(CC3)C(=O)CCN4C(=O)\C(=C/c5cccs5)\SC4=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M11 compound treatment 0.337 -0.013 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972658 ChemDiv1_004851 Cc1cc(C)nc(Sc2nnc(C)c3ccccc23)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M12 compound treatment 0.38 0.03 1.0 0.374 0.024 1.0 -1.0 -1.0 1923709 ChemDiv1_004852 Cc1nnc(NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)/SC2=S)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M13 compound treatment 0.339 -0.011 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1450129 ChemDiv1_004853 Cc1cccc(OC(=O)CSc2nnc(C)c3ccccc23)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M14 compound treatment 0.336 -0.014 -1.0 0.352 0.002 1.0 -1.0 -1.0 1948374 ChemDiv1_004854 O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)NCCCn4ccnc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M15 compound treatment 0.336 -0.014 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972659 ChemDiv1_004855 CCSc1nnc(c2ccc(C)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M16 compound treatment 0.33 -0.02 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1785232 ChemDiv1_004856 Cc1sc2nc(SCC(=O)N3CCN(CCO)CC3)[nH]c(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M17 compound treatment 0.223 -0.127 -1.0 0.251 -0.099 -1.0 -1.0 -1.0 1972660 ChemDiv1_004857 CCOc1cccc(c1)N2C(=O)/C(=C\c3ccc(cc3OC)N(CC)CC)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M18 compound treatment 0.354 0.004 1.0 0.36 0.01 1.0 -1.0 -1.0 1647899 ChemDiv1_004858 CC(C)CCSc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(=C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M19 compound treatment 0.864 0.514 1.0 0.852 0.502 1.0 -1.0 -1.0 1972661 ChemDiv1_004859 Cc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)c(C)n1c4ccc(cc4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M20 compound treatment 0.34 -0.01 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972662 ChemDiv1_004860 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccc(Cl)c(c4)[N+](=O)[O-])cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M21 compound treatment 0.481 0.131 1.0 0.637 0.287 1.0 -1.0 -1.0 1972663 ChemDiv1_004861 COc1cc(/C=C\2/C(=C(C#N)c3nc(N)c(C#N)c(C)c23)C)ccc1OCc4ccc(cc4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M22 compound treatment 0.324 -0.026 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1725655 ChemDiv1_004862 CS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 M24 positive control 0.087 -0.263 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N01 compound treatment 0.4 0.05 1.0 0.411 0.061 1.0 -1.0 -1.0 1350036 ChemDiv1_004863 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N02 compound treatment 0.338 -0.012 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1242815 ChemDiv1_004864 Cc1cc(C)nc(NC(c2ccco2)c3ccc4cccnc4c3O)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N03 compound treatment 0.337 -0.013 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1149633 ChemDiv1_004865 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2c3CSCc3nn2c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N04 compound treatment 0.333 -0.017 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1948325 ChemDiv1_004866 Clc1ccc(cc1)S(=O)(=O)N2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N05 compound treatment 0.345 -0.005 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1675405 ChemDiv1_004867 COc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N06 compound treatment 0.33 -0.02 -1.0 0.364 0.014 1.0 -1.0 -1.0 1972664 ChemDiv1_004868 OCCN1CCN(CC1)C(c2ccc(cc2)C(F)(F)F)c3ccc4cccnc4c3O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N07 compound treatment 0.343 -0.007 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1125763 ChemDiv1_004869 CCOc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(OC)cc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N08 compound treatment 0.337 -0.013 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972665 ChemDiv1_004870 O=C(CSc1nnc2ccccn12)NCc3ccco3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N09 compound treatment 0.371 0.021 1.0 0.373 0.023 1.0 -1.0 -1.0 1972666 ChemDiv1_004871 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)c3ccc(cc3)[N+](=O)[O-])c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N10 compound treatment 0.346 -0.004 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1949865 ChemDiv1_004872 Cc1sc2nc(SCC(=O)NCc3cccnc3)n(CC=C)c(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N11 compound treatment 0.333 -0.017 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1944642 ChemDiv1_004873 COc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)OCc3ccccc3)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N12 compound treatment 0.364 0.014 1.0 0.369 0.019 1.0 -1.0 -1.0 1486916 ChemDiv1_004874 O=C1C2C3CC(C=C3)C2C(=O)N1CCN4CCN(CC4)S(=O)(=O)c5ccc6ccccc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N13 compound treatment 0.418 0.068 1.0 0.417 0.067 1.0 -1.0 -1.0 1572127 ChemDiv1_004875 COc1ccc(cc1OC)c2c(C#N)c(N)nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N14 compound treatment 0.354 0.004 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1951731 ChemDiv1_004876 Cc1sc2nc(SCC(=O)N3CCOCC3)n(CC=C)c(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N15 compound treatment 0.351 0.001 1.0 0.35 0.0 -1.0 -1.0 -1.0 1436157 ChemDiv1_004877 CSc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N16 compound treatment 0.383 0.033 1.0 0.392 0.042 1.0 -1.0 -1.0 1941313 ChemDiv1_004878 O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCCCN6CCOCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N17 compound treatment 0.341 -0.009 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972667 ChemDiv1_004879 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3cccc4C(=O)c5ccccc5C(=O)c34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N18 compound treatment 0.376 0.026 1.0 0.379 0.029 1.0 -1.0 -1.0 1972668 ChemDiv1_004880 OC(=O)CCCC(=O)N1N=C(CC1c2cccc(c2)[N+](=O)[O-])c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N19 compound treatment 0.326 -0.024 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1940006 ChemDiv1_004881 Cc1c(NS(=O)(=O)c2cccc3C(=O)c4ccccc4C(=O)c23)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N20 compound treatment 0.379 0.029 1.0 0.386 0.036 1.0 -1.0 -1.0 1731664 ChemDiv1_004882 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N21 compound treatment 0.342 -0.008 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1945143 ChemDiv1_004883 COC(=O)c1ccc(CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N22 compound treatment 0.374 0.024 1.0 0.375 0.025 1.0 -1.0 -1.0 1972669 ChemDiv1_004884 COc1ccccc1C2CC(=NN2C(=O)CCCC(=O)O)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 N24 positive control 0.087 -0.263 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O01 compound treatment 0.342 -0.008 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1535719 ChemDiv1_004885 Cc1ccc(Nc2nc3nonc3nc2NC4C5CC6CC(C5)CC4C6)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O02 compound treatment 0.323 -0.027 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1528553 ChemDiv1_004886 CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc4CC(C)CCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O03 compound treatment 0.317 -0.033 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1343072 ChemDiv1_004887 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(F)cc4F)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O04 compound treatment 0.49 0.14 1.0 0.448 0.098 1.0 -1.0 -1.0 1972670 ChemDiv1_004888 COc1ccc(cc1)S(=O)(=O)/N=C\2/NC(=O)/C(=C\c3ccc(OC)c(OC)c3)/S2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O05 compound treatment 0.35 0.0 -1.0 0.351 0.001 1.0 -1.0 -1.0 1633492 ChemDiv1_004889 CCOC(=O)c1ccc(Nc2nc3nonc3nc2N(CC)CC)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O06 compound treatment 0.336 -0.014 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972671 ChemDiv1_004890 [O-][N+](=O)c1ccc2nc(nc(c3ccccc3)c2c1)N4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O07 compound treatment 0.433 0.083 1.0 0.433 0.083 1.0 -1.0 -1.0 1972672 ChemDiv1_004891 Clc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)c4cc5cc(Br)ccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O08 compound treatment 0.373 0.023 1.0 0.373 0.023 1.0 -1.0 -1.0 1972673 ChemDiv1_004892 COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O09 compound treatment 0.422 0.072 1.0 0.433 0.083 1.0 -1.0 -1.0 1972674 ChemDiv1_004893 Brc1ccc2oc(=O)c(cc2c1)C(=O)Nn3c(nc4ccccc4c3=O)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O10 compound treatment 0.36 0.01 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1972675 ChemDiv1_004894 O=C(CCN1C(=O)/C(=C\c2cccs2)/SC1=S)N3c4ccccc4Sc5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O11 compound treatment 0.346 -0.004 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972676 ChemDiv1_004895 Cc1nnc(SCC(=O)N)c2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O12 compound treatment 0.414 0.064 1.0 0.439 0.089 1.0 -1.0 -1.0 1972677 ChemDiv1_004896 COc1ccccc1NC(=O)CN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O13 compound treatment 0.34 -0.01 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1719439 ChemDiv1_004897 Cc1nn(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O14 compound treatment 0.351 0.001 1.0 0.354 0.004 1.0 -1.0 -1.0 1947764 ChemDiv1_004898 Cc1sc2nc(SCC(=O)NCCCn3ccnc3)[nH]c(=O)c2c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O15 compound treatment 0.353 0.003 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1946934 ChemDiv1_004899 CCSc1nnc(c2ccc(Cl)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O16 compound treatment 0.346 -0.004 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1948644 ChemDiv1_004900 CCOC(=O)CSc1nnc(c2cccc(OC)c2)n1c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O17 compound treatment 0.415 0.065 1.0 0.422 0.072 1.0 -1.0 -1.0 1972678 ChemDiv1_004901 OC(=O)c1ccccc1c2ccc(/C=C\3/C(=O)NC(=S)N(C3=O)c4ccc(Br)cc4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O18 compound treatment 0.376 0.026 1.0 0.387 0.037 1.0 -1.0 -1.0 1280842 ChemDiv1_004902 COc1ccccc1C2=NN(C(C2)c3ccccc3)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O19 compound treatment 0.817 0.467 1.0 0.795 0.445 1.0 -1.0 -1.0 1972679 ChemDiv1_004903 Cc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)c(C)n1c4cccc(c4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O20 compound treatment 0.349 -0.001 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972680 ChemDiv1_004904 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4c(C)onc4c5ccccc5Cl)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O21 compound treatment 0.354 0.004 1.0 0.357 0.007 1.0 -1.0 -1.0 1972681 ChemDiv1_004905 COc1ccc(cc1)N2C(=O)/C(=C\c3ccc(o3)c4ccccc4[N+](=O)[O-])/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O22 compound treatment 0.335 -0.015 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972682 ChemDiv1_004906 [O-][N+](=O)c1ccc2sc(cc2c1)C(=O)Nc3ccc(Br)cc3C(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 O24 positive control 0.089 -0.261 -1.0 0.093 -0.257 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P01 compound treatment 0.388 0.038 1.0 0.397 0.047 1.0 -1.0 -1.0 1450296 ChemDiv1_004907 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P02 compound treatment 0.378 0.028 1.0 0.374 0.024 1.0 -1.0 -1.0 1560844 ChemDiv1_004908 Clc1c(sc2ccccc12)C(=O)Nc3nc(cs3)c4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P03 compound treatment 0.399 0.049 1.0 0.388 0.038 1.0 -1.0 -1.0 1740134 ChemDiv1_004909 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4cccc(C)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P04 compound treatment 0.382 0.032 1.0 0.377 0.027 1.0 -1.0 -1.0 1972683 ChemDiv1_004910 O=C(/C=C/c1ccc2OCOc2c1)N3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P05 compound treatment 0.413 0.063 1.0 0.402 0.052 1.0 -1.0 -1.0 1128943 ChemDiv1_004911 COc1ccc(cc1)C2=NN(C(C2)c3cc4ccc(C)cc4nc3Cl)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P06 compound treatment 0.363 0.013 1.0 0.362 0.012 1.0 -1.0 -1.0 1366639 ChemDiv1_004912 Fc1ccc(cc1)c2csc3ncnc(NCCc4ccc5OCOc5c4)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P07 compound treatment 0.374 0.024 1.0 0.377 0.027 1.0 -1.0 -1.0 1972684 ChemDiv1_004913 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)OC)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P08 compound treatment 0.45 0.1 1.0 0.48 0.13 1.0 -1.0 -1.0 1972685 ChemDiv1_004914 COc1ccc(cc1OC)c2csc3[nH]c(=S)n(CC=C)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P09 compound treatment 0.38 0.03 1.0 0.388 0.038 1.0 -1.0 -1.0 1737154 ChemDiv1_004915 COc1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P10 compound treatment 0.365 0.015 1.0 0.364 0.014 1.0 -1.0 -1.0 1941283 ChemDiv1_004916 OCCCNC(=O)CSc1nc2sc3CCCc3c2c(=O)n1CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P11 compound treatment 0.358 0.008 1.0 0.363 0.013 1.0 -1.0 -1.0 1972686 ChemDiv1_004917 [O-][N+](=O)c1cccc(c1)C2CC(=O)NC(=C2C#N)SCC(=O)OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P12 compound treatment 0.388 0.038 1.0 0.4 0.05 1.0 -1.0 -1.0 1972687 ChemDiv1_004918 O=C1C2C3CC(C=C3)C2C(=O)N1CCN4CCN(CC4)S(=O)(=O)/C=C\c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P13 compound treatment 0.371 0.021 1.0 0.384 0.034 1.0 -1.0 -1.0 1873279 ChemDiv1_004919 CCCOC(=O)CSC1=C(C#N)C(C(C(=O)OC)C(=O)N1)c2ccc(Cl)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P14 compound treatment 0.365 0.015 1.0 0.389 0.039 1.0 -1.0 -1.0 1310399 ChemDiv1_004920 O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)NCc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P15 compound treatment 0.353 0.003 1.0 0.386 0.036 1.0 -1.0 -1.0 1972688 ChemDiv1_004921 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)CN3C(=O)c4ccccc4C3=O)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P16 compound treatment 0.365 0.015 1.0 0.417 0.067 1.0 -1.0 -1.0 1924339 ChemDiv1_004922 CCCCN(CCCC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P17 compound treatment 0.385 0.035 1.0 0.423 0.073 1.0 -1.0 -1.0 1670644 ChemDiv1_004923 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccccc3c4nc5ccccc5[nH]4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P18 compound treatment 0.388 0.038 1.0 0.418 0.068 1.0 -1.0 -1.0 1591656 ChemDiv1_004924 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P19 compound treatment 0.38 0.03 1.0 0.395 0.045 1.0 -1.0 -1.0 1379692 ChemDiv1_004925 COc1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P20 compound treatment 0.391 0.041 1.0 0.398 0.048 1.0 -1.0 -1.0 1518000 ChemDiv1_004926 COc1ccc(OC)c(c1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P21 compound treatment 0.365 0.015 1.0 0.365 0.015 1.0 -1.0 -1.0 1155193 ChemDiv1_004927 OCCN(CCO)C(=O)CSc1nc2sc3CCCCc3c2c(=O)[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P22 compound treatment 0.388 0.038 1.0 0.396 0.046 1.0 -1.0 -1.0 1972689 ChemDiv1_004928 COc1ccc(cc1OC)C2CC(=NN2C(=O)CCCC(=O)O)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.600 P24 positive control 0.092 -0.258 -1.0 0.113 -0.237 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A01 compound treatment 0.36 0.01 1.0 0.359 0.009 1.0 -1.0 -1.0 1729876 ChemDiv1_004929 CCOc1ccc2cc(C3CC(=NN3C(=O)C)c4ccccc4)c(=O)[nH]c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A02 compound treatment 0.353 0.003 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1742286 ChemDiv1_004930 CCOC(=O)C1=C(C)Nc2nnnn2C1c3ccc(OCc4ccccc4)c(OC)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A03 compound treatment 0.337 -0.013 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1446629 ChemDiv1_004931 Cn1c(=O)n(C)c2nc(N3CCCCC3)n(CC(O)COc4ccc(Cl)cc4)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A04 compound treatment 0.353 0.003 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1319177 ChemDiv1_004932 CC1=C(C(c2ccc(OCc3ccccc3)cc2)n4nnnc4N1)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A05 compound treatment 0.348 -0.002 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972690 ChemDiv1_004933 Cc1cccc2cc(CC3CC(=NN3C(=O)CCC(=O)O)c4ccccc4)c(=O)[nH]c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A06 compound treatment 0.351 0.001 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1338932 ChemDiv1_004934 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)Nc4nnnn34)C(=O)Nc5ccccn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A07 compound treatment 0.353 0.003 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1639329 ChemDiv1_004935 COc1cccc(C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccccc4)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A08 compound treatment 0.341 -0.009 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1508865 ChemDiv1_004936 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc4sc(C)nc4c3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A09 compound treatment 0.345 -0.005 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972691 ChemDiv1_004937 COc1ccc(cc1)C2CC(=NN2C(=O)c3ccc(Br)o3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A10 compound treatment 0.336 -0.014 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1697271 ChemDiv1_004938 O=C(Nc1nc-2c(CCc3ccccc23)s1)c4ccc(cc4)S(=O)(=O)N5CCc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A11 compound treatment 0.346 -0.004 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1555460 ChemDiv1_004939 CCOc1ccc(NC(=O)Nc2nc(cs2)c3ccc(Oc4ccccc4)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A12 compound treatment 0.341 -0.009 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972692 ChemDiv1_004940 Clc1ccc2[nH]c(=O)c(C3=NN(C(C3)c4ccccc4)C(=O)CN5CCOCC5)c(c6ccccc6)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A13 compound treatment 0.346 -0.004 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972693 ChemDiv1_004941 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)C)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A14 compound treatment 0.337 -0.013 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1646534 ChemDiv1_004942 CSc1nc2ccc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A15 compound treatment 0.337 -0.013 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1372115 ChemDiv1_004943 COc1ccc(cc1)C2C(=C(C)Nc3ncnn23)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A16 compound treatment 0.342 -0.008 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1354587 ChemDiv1_004944 CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A17 compound treatment 0.323 -0.027 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1349292 ChemDiv1_004945 COc1ccc(OC)c(c1)C2C(=C(C)Nc3ncnn23)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A18 compound treatment 0.332 -0.018 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1972694 ChemDiv1_004946 COc1ccc(cc1)C2CC(=NN2C(=O)c3cccs3)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A19 compound treatment 0.334 -0.016 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1344207 ChemDiv1_004947 COc1ccc(OC)c(c1)C2C(=C(C)Nc3ncnn23)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A20 compound treatment 0.328 -0.022 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972695 ChemDiv1_004948 COc1ccc(cc1)C2CC(=NN2C(=O)c3cccc(c3)[N+](=O)[O-])c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A21 compound treatment 0.335 -0.015 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1874356 ChemDiv1_004949 CCOC(=O)C1=C(C)Nc2nnnn2C1c3cccc(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A22 compound treatment 0.333 -0.017 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1549475 ChemDiv1_004950 CCOC(=O)C1=C(C)Nc2nnnn2C1c3cccc(Br)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 A24 positive control 0.078 -0.272 -1.0 0.077 -0.273 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B01 compound treatment 0.358 0.008 1.0 0.352 0.002 1.0 -1.0 -1.0 1592111 ChemDiv1_004951 CC1=C(C(c2ccccn2)n3nnnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B02 compound treatment 0.344 -0.006 -1.0 0.355 0.005 1.0 -1.0 -1.0 1608435 ChemDiv1_004952 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(Br)cc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B03 compound treatment 0.333 -0.017 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1636130 ChemDiv1_004953 CC1=C(C(c2ccc3OCOc3c2)n4ncnc4N1)C(=O)Nc5ccccn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B04 compound treatment 0.339 -0.011 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1265027 ChemDiv1_004954 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc(cs3)c4cc5ccccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B05 compound treatment 0.362 0.012 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1265414 ChemDiv1_004955 Cc1ccccc1n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B06 compound treatment 0.339 -0.011 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1178364 ChemDiv1_004956 NC(=O)c1oc2ccccc2c1NC(=O)c3cc(nc4ccccc34)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B07 compound treatment 0.323 -0.027 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1195190 ChemDiv1_004957 Cc1ccc(c(C)c1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B08 compound treatment 0.336 -0.014 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972696 ChemDiv1_004958 OC(COc1ccc(Cl)cc1)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B09 compound treatment 0.318 -0.032 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1493865 ChemDiv1_004959 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccccc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B10 compound treatment 0.323 -0.027 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1972697 ChemDiv1_004960 COc1cccc(OC)c1OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B11 compound treatment 0.339 -0.011 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1420229 ChemDiv1_004961 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)c4ccc(cc4)S(=O)(=O)N5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B12 compound treatment 0.354 0.004 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972698 ChemDiv1_004962 O=C1N(CC2CCN(CC2)S(=O)(=O)/C=C/c3ccccc3)C(=O)c4cccc5cccc1c45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B13 compound treatment 0.338 -0.012 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1924867 ChemDiv1_004963 COc1ccc2c(Cl)c(sc2c1)C(=O)N3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B14 compound treatment 0.336 -0.014 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972699 ChemDiv1_004964 CCOC(=O)c1c(NC(=O)CSc2nnc3sc4ccccc4n23)scc1c5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B15 compound treatment 0.327 -0.023 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1972700 ChemDiv1_004965 CCOC(=O)c1c(C)oc2cc(Br)c(OC/C=C/c3ccccc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B16 compound treatment 0.333 -0.017 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972701 ChemDiv1_004966 O=C(N1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1)C5(CC6CC7CC(C6)C5)C7 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B17 compound treatment 0.343 -0.007 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1195179 ChemDiv1_004967 COC(=O)c1c(C)oc2cc(Br)c(OCc3c(F)cccc3Cl)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B18 compound treatment 0.335 -0.015 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972702 ChemDiv1_004968 Cn1c(=O)[nH]c(=O)c2n(CC(O)COc3ccc(cc3)[N+](=O)[O-])c(NC4CCCCC4)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B19 compound treatment 0.355 0.005 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972703 ChemDiv1_004969 CCOC(=O)CSc1nnc(CSc2nc3sc4CCCc4c3c(=O)[nH]2)n1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B20 compound treatment 0.324 -0.026 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1531948 ChemDiv1_004970 CCN(CC)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1CC(O)COc3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B21 compound treatment 0.343 -0.007 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1176170 ChemDiv1_004971 O=C(Nc1cccc(c1)c2nc3ccccc3o2)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B22 compound treatment 0.329 -0.021 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1728356 ChemDiv1_004972 Cc1cc(C)c(NC(=O)Cn2c3ccccc3c4nc5ccccc5nc24)c(C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 B24 positive control 0.077 -0.273 -1.0 0.077 -0.273 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C01 compound treatment 0.367 0.017 1.0 0.352 0.002 1.0 -1.0 -1.0 1163610 ChemDiv1_004973 CCOc1ccc2cc(C3CC(=NN3C(=O)C)c4ccc(C)cc4)c(=O)[nH]c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C02 compound treatment 0.334 -0.016 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1625743 ChemDiv1_004974 CC1=C(C(c2ccccc2)n3nnnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C03 compound treatment 0.343 -0.007 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1596638 ChemDiv1_004975 Cn1c(=O)n(C)c2nc(N3CCOCC3)n(CC(O)COc4ccc(Cl)cc4)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C04 compound treatment 0.35 0.0 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1233417 ChemDiv1_004976 CC1=C(C(c2ccc(OC(=O)c3ccccc3)cc2)n4nnnc4N1)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C05 compound treatment 0.33 -0.02 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1400572 ChemDiv1_004977 CCC(=O)N1N=C(CC1Cc2cc3cccc(C)c3[nH]c2=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C06 compound treatment 0.34 -0.01 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1972704 ChemDiv1_004978 CC1=C(C(c2ccc(cc2)[N+](=O)[O-])n3nnnc3N1)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C07 compound treatment 0.347 -0.003 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1489378 ChemDiv1_004979 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccc(C)cc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C08 compound treatment 0.344 -0.006 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1482919 ChemDiv1_004980 Cc1nc2c(ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCCC5)sc32)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C09 compound treatment 0.343 -0.007 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972705 ChemDiv1_004981 COc1ccc(cc1)C2CC(=NN2C(=O)c3ccc(Br)o3)c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C10 compound treatment 0.331 -0.019 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972706 ChemDiv1_004982 O=C(Nc1ccc2C(=O)c3ccccc3C(=O)c2c1)c4ccc(cc4)S(=O)(=O)N5CCc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C11 compound treatment 0.341 -0.009 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1742235 ChemDiv1_004983 COc1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc5C4)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C12 compound treatment 0.338 -0.012 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1972707 ChemDiv1_004984 Clc1ccc2[nH]c(=O)c(C3=NN(C(C3)c4ccccc4Cl)C(=O)CN5CCOCC5)c(c6ccccc6)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C13 compound treatment 0.366 0.016 1.0 0.373 0.023 1.0 -1.0 -1.0 1458516 ChemDiv1_004985 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C14 compound treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1565441 ChemDiv1_004986 CC1(C)CC(=O)c2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)nc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C15 compound treatment 0.328 -0.022 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1469942 ChemDiv1_004987 COc1ccc(cc1OC)C2C(=C(C)Nc3ncnn23)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C16 compound treatment 0.315 -0.035 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1220811 ChemDiv1_004988 CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc5sc(C)nc5c4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C17 compound treatment 0.337 -0.013 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1371528 ChemDiv1_004989 CC1=C(C(c2cccnc2)n3ncnc3N1)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C18 compound treatment 0.322 -0.028 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1302789 ChemDiv1_004990 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3Cl)C(=O)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C19 compound treatment 0.327 -0.023 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1686659 ChemDiv1_004991 CC1=C(C(c2ccc(Br)cc2)n3ncnc3N1)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C20 compound treatment 0.315 -0.035 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1972708 ChemDiv1_004992 CNC(=S)N1N=C(CC1c2ccc(cc2)N(C)C)c3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C21 compound treatment 0.328 -0.022 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1472593 ChemDiv1_004993 CCOC(=O)C1=C(C)Nc2nnnn2C1c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C22 compound treatment 0.327 -0.023 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1287914 ChemDiv1_004994 CCOC(=O)C1=C(C)Nc2nnnn2C1c3ccc(OCc4ccccc4)c(OCC)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 C24 positive control 0.078 -0.272 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D01 compound treatment 0.364 0.014 1.0 0.355 0.005 1.0 -1.0 -1.0 1123174 ChemDiv1_004995 CC1=C(C(c2cccc(Br)c2)n3ncnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D02 compound treatment 0.338 -0.012 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972709 ChemDiv1_004996 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(cc4s3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D03 compound treatment 0.337 -0.013 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1611784 ChemDiv1_004997 CC1=C(C(c2ccccn2)n3ncnc3N1)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D04 compound treatment 0.335 -0.015 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972710 ChemDiv1_004998 CS(=O)(=O)c1ccc2nc(NC(=S)NC(=O)c3cc4cc(ccc4s3)[N+](=O)[O-])sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D05 compound treatment 0.352 0.002 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1249513 ChemDiv1_004999 Cc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D06 compound treatment 0.334 -0.016 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1972711 ChemDiv1_005000 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3cccc4C(=O)c5ccccc5C(=O)c34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D07 compound treatment 0.346 -0.004 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972712 ChemDiv1_005001 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D08 compound treatment 0.326 -0.024 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1972713 ChemDiv1_005002 OC(COc1ccc2OCOc2c1)CN3CCC(CN4C(=O)c5cccc6cccc(C4=O)c56)CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D09 compound treatment 0.301 -0.049 -1.0 0.307 -0.043 -1.0 -1.0 -1.0 1704023 ChemDiv1_005003 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D10 compound treatment 0.291 -0.059 -1.0 0.279 -0.071 -1.0 -1.0 -1.0 1972714 ChemDiv1_005004 OC(COc1ccccc1F)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D11 compound treatment 0.315 -0.035 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1392853 ChemDiv1_005005 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc(cc3)c4nc5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D12 compound treatment 0.375 0.025 1.0 0.358 0.008 1.0 -1.0 -1.0 1972715 ChemDiv1_005006 O=C(N1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c5ccc(cc5)S(=O)(=O)N6CCCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D13 compound treatment 0.345 -0.005 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1924918 ChemDiv1_005007 COc1ccc(/C=C/C(=O)N2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D14 compound treatment 0.329 -0.021 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1972716 ChemDiv1_005008 COC(=O)c1c(NC(=O)CSc2nnc3sc4ccccc4n23)sc(Cl)c1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D15 compound treatment 0.325 -0.025 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1972717 ChemDiv1_005009 CCOC(=O)c1c(oc2cc(Br)c(OCC(=O)c3ccc(OC)cc3)cc12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D16 compound treatment 0.332 -0.018 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1972718 ChemDiv1_005010 CCOC(=O)c1c(NC(=O)CN2C(=O)c3cccc4cccc(C2=O)c34)sc5CCCc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D17 compound treatment 0.334 -0.016 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1249548 ChemDiv1_005011 O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)NCc4cccnc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D18 compound treatment 0.325 -0.025 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1972719 ChemDiv1_005012 COc1ccc(OCC(O)Cn2c(NCCCn3ccnc3)nc4n(C)c(=O)[nH]c(=O)c24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D19 compound treatment 0.323 -0.027 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1281706 ChemDiv1_005013 C=CCn1c(SCC(=O)NCCN2CCOCC2)nc3sc4CCCc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D20 compound treatment 0.338 -0.012 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1496925 ChemDiv1_005014 COc1ccc(OCC(O)Cn2c(nc3n(C)c(=O)n(C)c(=O)c23)N4CCCCC4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D21 compound treatment 0.327 -0.023 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1557814 ChemDiv1_005015 O=C(Nc1nc2ccccc2c3nc4ccccc4n13)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D22 compound treatment 0.324 -0.026 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972720 ChemDiv1_005016 O=c1n(nc2-c3ccccc3-c4cccc1c42)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 D24 positive control 0.079 -0.271 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E01 compound treatment 0.368 0.018 1.0 0.359 0.009 1.0 -1.0 -1.0 1600069 ChemDiv1_005017 CCOc1ccc2cc(C3CC(=NN3C(=O)CC)c4ccc(Br)cc4)c(=O)[nH]c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E02 compound treatment 0.356 0.006 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1643936 ChemDiv1_005018 CC1=C(C(c2ccc(Cl)cc2)n3nnnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E03 compound treatment 0.367 0.017 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1298851 ChemDiv1_005019 Cn1c(=O)n(C)c2nc(NCc3ccccc3)n(CC(O)COc4ccc(Cl)cc4)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E04 compound treatment 0.335 -0.015 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1393931 ChemDiv1_005020 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)Nc4nnnn34)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E05 compound treatment 0.376 0.026 1.0 0.37 0.02 1.0 -1.0 -1.0 1501606 ChemDiv1_005021 Cc1ccc(cc1)C2=NN(C(Cc3cc4cccc(C)c4nc3Cl)C2)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E06 compound treatment 0.349 -0.001 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1252430 ChemDiv1_005022 COc1ccc(cc1)C2C(=C(C)Nc3nnnn23)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E07 compound treatment 0.343 -0.007 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1972721 ChemDiv1_005023 Cc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccc(C)cc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E08 compound treatment 0.324 -0.026 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1367218 ChemDiv1_005024 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc5sc(C)nc5c4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E09 compound treatment 0.288 -0.062 -1.0 0.298 -0.052 -1.0 -1.0 -1.0 1972722 ChemDiv1_005025 COc1ccc(cc1)C2=NN(C(C2)c3ccc(C)cc3)C(=O)c4ccc(Br)o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E10 compound treatment 0.288 -0.062 -1.0 0.273 -0.077 -1.0 -1.0 -1.0 1972723 ChemDiv1_005026 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E11 compound treatment 0.32 -0.03 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1203903 ChemDiv1_005027 NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc5C4)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E12 compound treatment 0.329 -0.021 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972724 ChemDiv1_005028 COc1ccccc1C2CC(=NN2C(=O)CN3CCOCC3)c4c(c5ccccc5)c6cc(Cl)ccc6[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E13 compound treatment 0.344 -0.006 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972725 ChemDiv1_005029 OC(=O)CCC(=O)N1N=C(CC1c2ccc(Br)cc2)c3cccs3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E14 compound treatment 0.327 -0.023 -1.0 0.287 -0.063 -1.0 -1.0 -1.0 1715807 ChemDiv1_005030 O=C(Nc1nc2CCCCc2s1)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E15 compound treatment 0.332 -0.018 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1139490 ChemDiv1_005031 COc1ccc(OC)c(c1)C2C(=C(C)Nc3ncnn23)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E16 compound treatment 0.367 0.017 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972726 ChemDiv1_005032 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc4sc(C)nc4c3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E17 compound treatment 0.333 -0.017 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1274051 ChemDiv1_005033 CC1=C(C(c2ccc(OCc3ccccc3)cc2)n4ncnc4N1)C(=O)Nc5ccccn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E18 compound treatment 0.336 -0.014 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1603959 ChemDiv1_005034 Clc1ccccc1C2CC(=NN2C(=O)c3cccs3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E19 compound treatment 0.333 -0.017 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1221179 ChemDiv1_005035 CC1=C(C(c2cccnc2)n3ncnc3N1)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E20 compound treatment 0.299 -0.051 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972727 ChemDiv1_005036 CC(=O)N1N=C(CC1c2ccc(Cl)cc2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E21 compound treatment 0.311 -0.039 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1655176 ChemDiv1_005037 CCOC(=O)C1=C(C)Nc2nnnn2C1c3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E22 compound treatment 0.327 -0.023 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1685741 ChemDiv1_005038 CC1=C(C(c2cccc(Br)c2)n3nnnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 E24 positive control 0.081 -0.269 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F01 compound treatment 0.381 0.031 1.0 0.331 -0.019 -1.0 -1.0 -1.0 1237430 ChemDiv1_005039 CC1=C(C(c2ccc(O)cc2)n3ncnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F02 compound treatment 0.343 -0.007 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1404506 ChemDiv1_005040 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc5ccccc5c4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F03 compound treatment 0.343 -0.007 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1737492 ChemDiv1_005041 CC1=C(C(c2ccc(O)cc2)n3nnnc3N1)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F04 compound treatment 0.361 0.011 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1584826 ChemDiv1_005042 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4c(cc5CCc6cccc4c65)s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F05 compound treatment 0.359 0.009 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972728 ChemDiv1_005043 [O-][N+](=O)c1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F06 compound treatment 0.348 -0.002 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1637874 ChemDiv1_005044 O=C(CSc1nc(cc(c2ccco2)c1C#N)C3CC3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F07 compound treatment 0.337 -0.013 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1365371 ChemDiv1_005045 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(Oc5ccccc5)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F08 compound treatment 0.33 -0.02 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1972729 ChemDiv1_005046 OC(COCc1ccc2OCOc2c1)CN3CCC(CN4C(=O)c5cccc6cccc(C4=O)c56)CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F09 compound treatment 0.343 -0.007 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1709532 ChemDiv1_005047 O=C(Nc1nc2c(cc3CCc4cccc2c43)s1)C5CC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F10 compound treatment 0.344 -0.006 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972730 ChemDiv1_005048 O=C(N1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c5ccc(cc5)S(=O)(=O)N6CCOCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F11 compound treatment 0.346 -0.004 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1418066 ChemDiv1_005049 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)c4ccc(cc4)S(=O)(=O)N5CCCc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F12 compound treatment 0.335 -0.015 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1972731 ChemDiv1_005050 CS(=O)(=O)c1ccc2nc(NC(=O)CCCN3C(=O)c4cccc5cccc(C3=O)c45)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F13 compound treatment 0.343 -0.007 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1925306 ChemDiv1_005051 O=C(/C=C/c1ccc2OCOc2c1)N3CCC(CN4C(=O)c5cccc6cccc(C4=O)c56)CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F14 compound treatment 0.296 -0.054 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972732 ChemDiv1_005052 COC(=O)c1ccc(cc1)n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F15 compound treatment 0.331 -0.019 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1233222 ChemDiv1_005053 CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(Cl)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F16 compound treatment 0.324 -0.026 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972733 ChemDiv1_005054 O=C(N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)C5(CC5)S(=O)(=O)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F17 compound treatment 0.36 0.01 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1924928 ChemDiv1_005055 O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCc6cccnc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F18 compound treatment 0.302 -0.048 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1300937 ChemDiv1_005056 COc1ccc(OCC(O)Cn2c(NCc3ccco3)nc4n(C)c(=O)[nH]c(=O)c24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F19 compound treatment 0.313 -0.037 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1917640 ChemDiv1_005057 CCOC(=O)CSc1nnc(Nc2ccc(Cl)cc2)n1c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F20 compound treatment 0.342 -0.008 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1622264 ChemDiv1_005058 COc1ccc(OCC(O)Cn2c(nc3n(C)c(=O)n(C)c(=O)c23)N4CCNCC4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F21 compound treatment 0.325 -0.025 -1.0 0.308 -0.042 -1.0 -1.0 -1.0 1126899 ChemDiv1_005059 O=C(Nc1nc2ccccc2c3nc4ccccc4n13)c5ccc(cc5)S(=O)(=O)N6CCCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F22 compound treatment 0.337 -0.013 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1261533 ChemDiv1_005060 CCN(CC)CCn1c2ccccc2c3nc4ccccc4nc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 F24 positive control 0.082 -0.268 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G01 compound treatment 0.363 0.013 1.0 0.354 0.004 1.0 -1.0 -1.0 1972734 ChemDiv1_005061 COC(=O)c1ccccc1NS(=O)(=O)c2cccc3C(=O)c4ccccc4C(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G02 compound treatment 0.345 -0.005 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1391811 ChemDiv1_005062 CC1=C(C(c2ccccc2Cl)n3nnnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G03 compound treatment 0.34 -0.01 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1416557 ChemDiv1_005063 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2CC(O)COc4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G04 compound treatment 0.335 -0.015 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1492206 ChemDiv1_005064 CC1=C(C(c2ccccc2)n3nnnc3N1)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G05 compound treatment 0.337 -0.013 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1618081 ChemDiv1_005065 COc1ccc(cc1)C2=NN(C(Cc3cc4cccc(C)c4nc3Cl)C2)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G06 compound treatment 0.349 -0.001 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1563220 ChemDiv1_005066 COc1ccc(cc1OC)C2C(=C(C)Nc3nnnn23)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G07 compound treatment 0.36 0.01 1.0 0.351 0.001 1.0 -1.0 -1.0 1665643 ChemDiv1_005067 COc1cccc(C2CC(=NN2C(=O)CCC(=O)O)c3cccs3)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G08 compound treatment 0.331 -0.019 -1.0 0.352 0.002 1.0 -1.0 -1.0 1180794 ChemDiv1_005068 COc1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G09 compound treatment 0.299 -0.051 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1972735 ChemDiv1_005069 Cc1ccc(cc1)C2CC(=NN2C(=O)c3ccc(Br)o3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G10 compound treatment 0.314 -0.036 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1972736 ChemDiv1_005070 COc1ccccc1C2CC(=NN2C(=O)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G11 compound treatment 0.323 -0.027 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1972737 ChemDiv1_005071 [O-][N+](=O)c1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc5C4)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G12 compound treatment 0.381 0.031 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972738 ChemDiv1_005072 CN1CCN(CC(=O)N2N=C(CC2c3ccccc3)c4c(c5ccccc5)c6cc(Cl)ccc6[nH]c4=O)CC1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G13 compound treatment 0.331 -0.019 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1456998 ChemDiv1_005073 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2Cl)c3cccs3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G14 compound treatment 0.333 -0.017 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1639444 ChemDiv1_005074 Cc1ccc2nc(sc2c1)c3ccc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCc6ccccc56)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G15 compound treatment 0.331 -0.019 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1268689 ChemDiv1_005075 CC1=C(C(c2cccnc2)n3ncnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G16 compound treatment 0.329 -0.021 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972739 ChemDiv1_005076 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c2cnc(NC(=O)c3ccc(cc3)S(=O)(=O)N(CC=C)CC=C)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G17 compound treatment 0.354 0.004 1.0 0.32 -0.03 -1.0 -1.0 -1.0 1226788 ChemDiv1_005077 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)Nc4ncnn34)C(=O)Nc5ccccn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G18 compound treatment 0.318 -0.032 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1972740 ChemDiv1_005078 Brc1ccc2[nH]c(=O)c(C3=NN(C(C3)c4ccco4)C(=O)c5ccco5)c(c6ccccc6)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G19 compound treatment 0.329 -0.021 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1139032 ChemDiv1_005079 COC(=O)C1=C(C)Nc2nnnn2C1c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G20 compound treatment 0.328 -0.022 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1972741 ChemDiv1_005080 CC(=O)C1=C(C)Nc2ncnn2C1c3ccc4OCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G21 compound treatment 0.325 -0.025 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1274882 ChemDiv1_005081 CCOC(=O)C1=C(C)Nc2nnnn2C1c3ccc(OC)c(OC)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G22 compound treatment 0.323 -0.027 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1518613 ChemDiv1_005082 CC1=C(C(c2ccc(O)cc2)n3nnnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 G24 positive control 0.083 -0.267 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H01 compound treatment 0.375 0.025 1.0 0.365 0.015 1.0 -1.0 -1.0 1585954 ChemDiv1_005083 CCOc1cc(ccc1OCc2ccccc2)C3C(=C(C)Nc4ncnn34)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H02 compound treatment 0.356 0.006 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1566677 ChemDiv1_005084 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4CCC(C)Cc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H03 compound treatment 0.351 0.001 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1278854 ChemDiv1_005085 CCOc1cc(ccc1OCc2ccccc2)C3NC(=O)NC(=C3C(=O)OC(C)C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H04 compound treatment 0.343 -0.007 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1566033 ChemDiv1_005086 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccccc3c4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H05 compound treatment 0.357 0.007 1.0 0.363 0.013 1.0 -1.0 -1.0 1237224 ChemDiv1_005087 Cc1ccc(c(C)c1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H06 compound treatment 0.33 -0.02 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1136575 ChemDiv1_005088 CCOC(=O)C(C)Oc1ccc2c(=O)c(c(C)oc2c1)c3ccc4OCCCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H07 compound treatment 0.358 0.008 1.0 0.359 0.009 1.0 -1.0 -1.0 1608019 ChemDiv1_005089 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccccc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H08 compound treatment 0.32 -0.03 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1972742 ChemDiv1_005090 COc1ccc(COCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H09 compound treatment 0.348 -0.002 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972743 ChemDiv1_005091 O=C(Nc1nc2c(cc3CCc4cccc2c43)s1)c5ccc(cc5)S(=O)(=O)N6CCc7ccccc67 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H10 compound treatment 0.327 -0.023 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972744 ChemDiv1_005092 [O-][N+](=O)c1cccc(c1)C(=O)CSc2nnc(C3COc4ccccc4O3)n2c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H11 compound treatment 0.333 -0.017 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1658546 ChemDiv1_005093 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)c4ccc(cc4)S(=O)(=O)N5CCc6ccccc6C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H12 compound treatment 0.338 -0.012 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972745 ChemDiv1_005094 CCOC(=O)CSc1nnc(CN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H13 compound treatment 0.305 -0.045 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1924682 ChemDiv1_005095 O=C(N1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H14 compound treatment 0.328 -0.022 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1972746 ChemDiv1_005096 COC(=O)c1c(NC(=O)CSc2nnc3sc4ccccc4n23)sc5CCCCc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H15 compound treatment 0.328 -0.022 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1438246 ChemDiv1_005097 CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3Cl)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H16 compound treatment 0.299 -0.051 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1972747 ChemDiv1_005098 Cc1ccc(cc1)S(=O)(=O)N2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H17 compound treatment 0.347 -0.003 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972748 ChemDiv1_005099 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(Cc5ccc(cc5)N6C(=O)C7C8CC(C=C8)C7C6=O)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H18 compound treatment 0.341 -0.009 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1702817 ChemDiv1_005100 COc1ccc(OCC(O)Cn2c(NCc3ccco3)nc4n(C)c(=O)n(C)c(=O)c24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H19 compound treatment 0.332 -0.018 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1336807 ChemDiv1_005101 O=C(Nc1nc2c(cc3CCc4cccc2c43)s1)c5ccc(cc5)S(=O)(=O)N6CCCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H20 compound treatment 0.328 -0.022 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1343040 ChemDiv1_005102 COc1ccc(OCC(O)Cn2c(nc3n(C)c(=O)n(C)c(=O)c23)N4CCN(C)CC4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H21 compound treatment 0.328 -0.022 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1345782 ChemDiv1_005103 COc1cc(OC)cc(c1)C(=O)Nc2nc3ccccc3c4nc5ccccc5n24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H22 compound treatment 0.331 -0.019 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1184639 ChemDiv1_005104 C(Cn1c2ccccc2c3nc4ccccc4nc13)N5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 H24 positive control 0.084 -0.266 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I01 compound treatment 0.358 0.008 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1972749 ChemDiv1_005105 COC(=O)c1ccc(NS(=O)(=O)c2cccc3C(=O)c4ccccc4C(=O)c23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I02 compound treatment 0.344 -0.006 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1407374 ChemDiv1_005106 COc1ccc(cc1OC)C2C(=C(C)Nc3nnnn23)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I03 compound treatment 0.346 -0.004 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1473917 ChemDiv1_005107 Cn1c(=O)n(C)c2nc(N3CCCCCC3)n(CC(O)COc4ccc(Cl)cc4)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I04 compound treatment 0.339 -0.011 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1734725 ChemDiv1_005108 CC1=C(C(c2ccc(Cl)cc2)n3nnnc3N1)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I05 compound treatment 0.346 -0.004 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972750 ChemDiv1_005109 Cc1ccc(cc1)C2=NN(C(Cc3cc4cccc(C)c4[nH]c3=O)C2)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I06 compound treatment 0.361 0.011 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1620598 ChemDiv1_005110 CC1=C(C(c2ccc(Br)cc2)n3nnnc3N1)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I07 compound treatment 0.336 -0.014 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972751 ChemDiv1_005111 COc1cccc(C2CC(=NN2S(=O)(=O)c3ccc(C)cc3)c4cccs4)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I08 compound treatment 0.371 0.021 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1594581 ChemDiv1_005112 Cc1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I09 compound treatment 0.392 0.042 1.0 0.393 0.043 1.0 -1.0 -1.0 1582217 ChemDiv1_005113 COc1ccc(cc1)C2=NN(C(C2)c3cn(nc3c4ccc(C)cc4)c5ccccc5)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I10 compound treatment 0.319 -0.031 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1481630 ChemDiv1_005114 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccc(C)cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I11 compound treatment 0.327 -0.023 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1251440 ChemDiv1_005115 O=C(Nc1nc2CCCCc2s1)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc5C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I12 compound treatment 0.335 -0.015 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972752 ChemDiv1_005116 COc1ccccc1C2CC(=NN2C(=O)CN3CCCC3)c4c(c5ccccc5)c6cc(Cl)ccc6[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I13 compound treatment 0.338 -0.012 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1283308 ChemDiv1_005117 COc1ccccc1C2CC(=NN2C(=O)CCC(=O)O)c3cccs3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I14 compound treatment 0.322 -0.028 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1657584 ChemDiv1_005118 CC(=O)Nc1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I15 compound treatment 0.307 -0.043 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1484528 ChemDiv1_005119 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)Nc4ncnn34)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I16 compound treatment 0.371 0.021 1.0 0.368 0.018 1.0 -1.0 -1.0 1972753 ChemDiv1_005120 Cc1ccc(o1)c2csc(NC(=O)c3cc(nc4ccccc34)c5cccs5)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I17 compound treatment 0.324 -0.026 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1621567 ChemDiv1_005121 CC1=C(C(c2ccccc2Cl)n3ncnc3N1)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I18 compound treatment 0.374 0.024 1.0 0.372 0.022 1.0 -1.0 -1.0 1605536 ChemDiv1_005122 CN(C)c1ccc(cc1)C2CC(=NN2C(=O)CCC(=O)O)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I19 compound treatment 0.334 -0.016 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1874354 ChemDiv1_005123 COC(=O)C1=C(C)Nc2nnnn2C1c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I20 compound treatment 0.332 -0.018 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972754 ChemDiv1_005124 CC(=O)C1=C(C)Nc2ncnn2C1c3ccccn3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I21 compound treatment 0.313 -0.037 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1736427 ChemDiv1_005125 CCOC(=O)C1=C(C)Nc2nnnn2C1c3ccc(cc3)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I22 compound treatment 0.306 -0.044 -1.0 0.299 -0.051 -1.0 -1.0 -1.0 1199312 ChemDiv1_005126 COc1cc(ccc1OC(=O)c2ccccc2)C3C(=C(C)Nc4nnnn34)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 I24 positive control 0.084 -0.266 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J01 compound treatment 0.381 0.031 1.0 0.381 0.031 1.0 -1.0 -1.0 1603355 ChemDiv1_005127 CCOc1cc(ccc1OC(=O)c2ccccc2)C3C(=C(C)Nc4ncnn34)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J02 compound treatment 0.343 -0.007 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1373732 ChemDiv1_005128 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc(cc3)c4nc5ccc(C)cc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J03 compound treatment 0.371 0.021 1.0 0.362 0.012 1.0 -1.0 -1.0 1972755 ChemDiv1_005129 [O-][N+](=O)c1ccc(cc1)n2nc3CSCc3c2NC(=O)c4cc(Br)ccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J04 compound treatment 0.375 0.025 1.0 0.369 0.019 1.0 -1.0 -1.0 1361775 ChemDiv1_005130 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3cccc(c3)c4nc5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J05 compound treatment 0.397 0.047 1.0 0.385 0.035 1.0 -1.0 -1.0 1598839 ChemDiv1_005131 Cc1ccccc1n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J06 compound treatment 0.325 -0.025 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1972756 ChemDiv1_005132 COc1cccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J07 compound treatment 0.353 0.003 1.0 0.355 0.005 1.0 -1.0 -1.0 1163398 ChemDiv1_005133 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J08 compound treatment 0.287 -0.063 -1.0 0.296 -0.054 -1.0 -1.0 -1.0 1972757 ChemDiv1_005134 OC(COCC1COc2ccccc2O1)CN3CCC(CN4C(=O)c5cccc6cccc(C4=O)c56)CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J09 compound treatment 0.337 -0.013 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1342219 ChemDiv1_005135 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc4nc(SC)sc4c3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J10 compound treatment 0.347 -0.003 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972758 ChemDiv1_005136 O=C(N1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1)C5(CC5)S(=O)(=O)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J11 compound treatment 0.341 -0.009 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1173897 ChemDiv1_005137 CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c3cccc(Br)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J12 compound treatment 0.377 0.027 1.0 0.369 0.019 1.0 -1.0 -1.0 1972759 ChemDiv1_005138 O=C(CSc1nnc(CCN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCc6cccnc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J13 compound treatment 0.331 -0.019 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1924582 ChemDiv1_005139 O=C1N(CC2CCN(CC2)S(=O)(=O)c3cccc4cccnc34)C(=O)c5cccc6cccc1c56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J14 compound treatment 0.339 -0.011 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972760 ChemDiv1_005140 COC(=O)c1c(NC(=O)CSc2nnc3sc4ccccc4n23)sc5CCCc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J15 compound treatment 0.315 -0.035 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1388128 ChemDiv1_005141 CC(C)OC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3F)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J16 compound treatment 0.366 0.016 1.0 0.363 0.013 1.0 -1.0 -1.0 1972761 ChemDiv1_005142 O=C(CCN1C(=O)c2cccc3cccc(C1=O)c23)N4CCN(Cc5ccc6OCOc6c5)CC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J17 compound treatment 0.331 -0.019 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972762 ChemDiv1_005143 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(cc4)S(=O)(=O)c5ccc(cc5)N6C(=O)C7C8CC(C=C8)C7C6=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J18 compound treatment 0.327 -0.023 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1972763 ChemDiv1_005144 CN(C)CCNc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J19 compound treatment 0.338 -0.012 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1532629 ChemDiv1_005145 O=C(Nc1nc2c(cc3CCc4cccc2c43)s1)c5ccc(cc5)S(=O)(=O)N6CCOCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J20 compound treatment 0.334 -0.016 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1498601 ChemDiv1_005146 COc1ccc(OCC(O)Cn2c(nc3n(C)c(=O)n(C)c(=O)c23)N4CCOCC4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J21 compound treatment 0.335 -0.015 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1468534 ChemDiv1_005147 O=C(Nc1ccc(cc1)c2nc3ccccc3s2)c4ccc(cc4)S(=O)(=O)N5CCCc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J22 compound treatment 0.326 -0.024 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1244709 ChemDiv1_005148 Clc1ccccc1Cn2c3ccccc3c4nc5ccccc5nc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 J24 positive control 0.084 -0.266 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K01 compound treatment 0.346 -0.004 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1705922 ChemDiv1_005149 CCOc1ccc(NC(=O)CSC2=C(C#N)C(C(=C(C)N2)C(=O)OC(C)(C)C)c3ccc(Cl)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K02 compound treatment 0.334 -0.016 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1118186 ChemDiv1_005150 COc1ccc(OC)c(c1)C2C(=C(C)Nc3nnnn23)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K03 compound treatment 0.336 -0.014 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1484767 ChemDiv1_005151 CC(=O)N1N=C(CC1Cc2cc3cccc(C)c3nc2Cl)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K04 compound treatment 0.342 -0.008 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1632319 ChemDiv1_005152 CC1=C(C(c2ccc(Br)cc2)n3nnnc3N1)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K05 compound treatment 0.343 -0.007 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972764 ChemDiv1_005153 Cc1cccc2cc(CC3CC(=NN3C(=O)CCC(=O)O)c4ccc(Br)cc4)c(=O)[nH]c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K06 compound treatment 0.337 -0.013 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1222959 ChemDiv1_005154 CC1=C(C(c2cccnc2)n3nnnc3N1)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K07 compound treatment 0.351 0.001 1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972765 ChemDiv1_005155 Fc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K08 compound treatment 0.36 0.01 1.0 0.362 0.012 1.0 -1.0 -1.0 1972766 ChemDiv1_005156 [O-][N+](=O)c1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K09 compound treatment 0.394 0.044 1.0 0.391 0.041 1.0 -1.0 -1.0 1372596 ChemDiv1_005157 Cc1ccc(cc1)c2nn(cc2C3CC(=NN3C(=O)CCC(=O)O)c4cccs4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K10 compound treatment 0.359 0.009 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1280204 ChemDiv1_005158 Clc1ccccc1C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K11 compound treatment 0.338 -0.012 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972767 ChemDiv1_005159 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc(cc4)S(=O)(=O)N5CCc6ccccc6C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K12 compound treatment 0.321 -0.029 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972768 ChemDiv1_005160 Cc1ccc(Sc2c(nc3ccccn23)c4ccc(Br)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K13 compound treatment 0.33 -0.02 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1241843 ChemDiv1_005161 CC1=C(C(c2ccccc2)n3ncnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K14 compound treatment 0.362 0.012 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972769 ChemDiv1_005162 O=C(Nc1nc(cs1)c2cc3ccccc3oc2=O)c4ccc(cc4)S(=O)(=O)N5CCc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K15 compound treatment 0.331 -0.019 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1874367 ChemDiv1_005163 CC1=C(C(c2cccc(c2)[N+](=O)[O-])n3ncnc3N1)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K16 compound treatment 0.335 -0.015 -1.0 0.354 0.004 1.0 -1.0 -1.0 1150618 ChemDiv1_005164 C=CCN(CC=C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3c(ccc4ccccc34)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K17 compound treatment 0.317 -0.033 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1154289 ChemDiv1_005165 COc1ccc(cc1)C2C(=C(C)Nc3ncnn23)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K18 compound treatment 0.341 -0.009 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1342192 ChemDiv1_005166 OC(=O)CCC(=O)N1N=C(CC1c2cccs2)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K19 compound treatment 0.324 -0.026 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1717539 ChemDiv1_005167 COC(=O)C1=C(C)Nc2nnnn2C1c3ccc(cc3)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K20 compound treatment 0.332 -0.018 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1408791 ChemDiv1_005168 COC(=O)C1=C(C)Nc2ncnn2C1c3ccc4ncccc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K21 compound treatment 0.325 -0.025 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1641304 ChemDiv1_005169 CCOC(=O)C1=C(C)Nc2nnnn2C1c3cc(OC)ccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K22 compound treatment 0.327 -0.023 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1212451 ChemDiv1_005170 CCOc1cc(ccc1OCc2ccccc2)C3C(=C(C)Nc4nnnn34)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 K24 positive control 0.087 -0.263 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L01 compound treatment 0.356 0.006 1.0 0.355 0.005 1.0 -1.0 -1.0 1363123 ChemDiv1_005171 CC1=C(C(c2ccc3OCOc3c2)n4ncnc4N1)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L02 compound treatment 0.393 0.043 1.0 0.41 0.06 1.0 -1.0 -1.0 1251416 ChemDiv1_005172 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(NC(=O)C)cc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L03 compound treatment 0.354 0.004 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972770 ChemDiv1_005173 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2c3CSCc3nn2c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L04 compound treatment 0.367 0.017 1.0 0.353 0.003 1.0 -1.0 -1.0 1574019 ChemDiv1_005174 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc(cc3)c4nc5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L05 compound treatment 0.412 0.062 1.0 0.401 0.051 1.0 -1.0 -1.0 1330420 ChemDiv1_005175 Cc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L06 compound treatment 0.349 -0.001 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972771 ChemDiv1_005176 COc1cccc(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L07 compound treatment 0.382 0.032 1.0 0.407 0.057 1.0 -1.0 -1.0 1972772 ChemDiv1_005177 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L08 compound treatment 0.327 -0.023 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1972773 ChemDiv1_005178 OC(COc1ccc(F)cc1)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L09 compound treatment 0.385 0.035 1.0 0.362 0.012 1.0 -1.0 -1.0 1416651 ChemDiv1_005179 CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5)sc3c2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L10 compound treatment 0.34 -0.01 -1.0 0.356 0.006 1.0 -1.0 -1.0 1972774 ChemDiv1_005180 Fc1ccc(cc1)N2CCN(CC2)C(=O)CCCN3C(=O)c4cccc5cccc(C3=O)c45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L11 compound treatment 0.357 0.007 1.0 0.356 0.006 1.0 -1.0 -1.0 1925016 ChemDiv1_005181 COc1ccc(cc1)S(=O)(=O)N2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L12 compound treatment 0.361 0.011 1.0 0.352 0.002 1.0 -1.0 -1.0 1972775 ChemDiv1_005182 O=C(CSc1nnc(CN2C(=O)c3cccc4cccc(C2=O)c34)n1c5ccccc5)NCCCN6CCOCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L13 compound treatment 0.347 -0.003 -1.0 0.372 0.022 1.0 -1.0 -1.0 1972776 ChemDiv1_005183 O=C(N1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c5ccc(cc5)S(=O)(=O)N6CCCCCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L14 compound treatment 0.322 -0.028 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1972777 ChemDiv1_005184 O=C(CSc1nnc2sc3ccccc3n12)NC4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L15 compound treatment 0.333 -0.017 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1301772 ChemDiv1_005185 CCOC(=O)c1c(C)oc2cc(Br)c(OCc3cccc(Cl)c3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L16 compound treatment 0.339 -0.011 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1205223 ChemDiv1_005186 CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L17 compound treatment 0.384 0.034 1.0 0.377 0.027 1.0 -1.0 -1.0 1972778 ChemDiv1_005187 OC(=O)C(Cc1c[nH]c2ccccc12)N3C(=O)C4C(C5c6ccccc6C4c7ccccc57)C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L18 compound treatment 0.328 -0.022 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972779 ChemDiv1_005188 CCN(CC)CCNc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L19 compound treatment 0.34 -0.01 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1347464 ChemDiv1_005189 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccccc3c4nc5ccccc5n24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L20 compound treatment 0.346 -0.004 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1633496 ChemDiv1_005190 COc1ccc(OCC(O)Cn2c(nc3n(C)c(=O)n(C)c(=O)c23)N4CCCCCC4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L21 compound treatment 0.337 -0.013 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1518368 ChemDiv1_005191 CCOC(=O)Cc1csc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L22 compound treatment 0.326 -0.024 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1518130 ChemDiv1_005192 Cn1c(SCC(=O)NCc2ccccn2)nc3sc4CCCCc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 L24 positive control 0.087 -0.263 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M01 compound treatment 0.359 0.009 1.0 0.357 0.007 1.0 -1.0 -1.0 1156178 ChemDiv1_005193 CN1CCN(CC1)c2nc3n(C)c(=O)n(C)c(=O)c3n2CC(O)COc4ccccc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M02 compound treatment 0.342 -0.008 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1586133 ChemDiv1_005194 CC1=C(C(c2ccc(Br)cc2)n3nnnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M03 compound treatment 0.347 -0.003 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1708821 ChemDiv1_005195 Cc1cccc2cc(CC3CC(=NN3C(=O)CCC(=O)O)c4ccccc4)c(Cl)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M04 compound treatment 0.338 -0.012 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1228364 ChemDiv1_005196 CC1=C(C(c2cccnc2)n3nnnc3N1)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M05 compound treatment 0.365 0.015 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1730659 ChemDiv1_005197 COc1cccc(C2CC(=NN2S(=O)(=O)c3ccc(C)cc3)c4ccccc4)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M06 compound treatment 0.493 0.143 1.0 0.382 0.032 1.0 -1.0 -1.0 1276304 ChemDiv1_005198 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)Nc4nnnn34)C(=O)Nc5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M07 compound treatment 0.375 0.025 1.0 0.376 0.026 1.0 -1.0 -1.0 1244056 ChemDiv1_005199 Cc1cccc2cc(C3CC(=NN3C(=O)CCC(=O)O)c4cccs4)c(Cl)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M08 compound treatment 0.401 0.051 1.0 0.392 0.042 1.0 -1.0 -1.0 1219328 ChemDiv1_005200 CC1CCc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)sc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M09 compound treatment 0.458 0.108 1.0 0.424 0.074 1.0 -1.0 -1.0 1135249 ChemDiv1_005201 COc1ccc(cc1)c2nn(cc2C3CC(=NN3C(=O)CCC(=O)O)c4ccc(Br)cc4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M10 compound treatment 0.338 -0.012 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972780 ChemDiv1_005202 Brc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M11 compound treatment 0.379 0.029 1.0 0.369 0.019 1.0 -1.0 -1.0 1972781 ChemDiv1_005203 COC(=O)c1ccc(cc1)C(=O)Nc2nc(c3cccs3)c(s2)C(=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M12 compound treatment 0.407 0.057 1.0 0.365 0.015 1.0 -1.0 -1.0 1639426 ChemDiv1_005204 Cc1nc2c(ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCc6ccccc6C5)sc32)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M13 compound treatment 0.332 -0.018 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1874360 ChemDiv1_005205 CC1=C(C(c2ccc(cc2)[N+](=O)[O-])n3ncnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M14 compound treatment 0.356 0.006 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1972782 ChemDiv1_005206 O=C(Nc1cccc2C(=O)c3ccccc3C(=O)c12)c4ccc(cc4)S(=O)(=O)N5CCc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M15 compound treatment 0.317 -0.033 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1686726 ChemDiv1_005207 CC1=C(C(c2ccccc2Cl)n3ncnc3N1)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M16 compound treatment 0.354 0.004 1.0 0.324 -0.026 -1.0 -1.0 -1.0 1194673 ChemDiv1_005208 C=CCN(CC=C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3CCCc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M17 compound treatment 0.34 -0.01 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1485835 ChemDiv1_005209 COc1ccc(cc1OC)C2C(=C(C)Nc3ncnn23)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M18 compound treatment 0.347 -0.003 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1531488 ChemDiv1_005210 COc1ccccc1C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M19 compound treatment 0.318 -0.032 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1313723 ChemDiv1_005211 COC(=O)C1=C(C)Nc2nnnn2C1c3cc(OC)ccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M20 compound treatment 0.335 -0.015 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1455629 ChemDiv1_005212 COC(=O)C1=C(C)Nc2ncnn2C1c3ccccn3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M21 compound treatment 0.369 0.019 1.0 0.333 -0.017 -1.0 -1.0 -1.0 1727572 ChemDiv1_005213 CCOC(=O)C1=C(C)Nc2nnnn2C1c3cccnc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M22 compound treatment 0.343 -0.007 -1.0 0.351 0.001 1.0 -1.0 -1.0 1686374 ChemDiv1_005214 CCOc1cc(ccc1OC(=O)c2ccccc2)C3C(=C(C)Nc4nnnn34)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 M24 positive control 0.089 -0.261 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N01 compound treatment 0.343 -0.007 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1407895 ChemDiv1_005215 CC1=C(C(c2ccccn2)n3ncnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N02 compound treatment 0.324 -0.026 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1259554 ChemDiv1_005216 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4c(C)cc(C)cc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N03 compound treatment 0.365 0.015 1.0 0.366 0.016 1.0 -1.0 -1.0 1972783 ChemDiv1_005217 [O-][N+](=O)c1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N04 compound treatment 0.397 0.047 1.0 0.38 0.03 1.0 -1.0 -1.0 1448129 ChemDiv1_005218 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3cccc(c3)c4nc5ccccc5[nH]4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N05 compound treatment 0.394 0.044 1.0 0.411 0.061 1.0 -1.0 -1.0 1972784 ChemDiv1_005219 [O-][N+](=O)c1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N06 compound treatment 0.321 -0.029 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1972785 ChemDiv1_005220 Cc1ccc(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c(C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N07 compound treatment 0.369 0.019 1.0 0.374 0.024 1.0 -1.0 -1.0 1162532 ChemDiv1_005221 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(C)cc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N08 compound treatment 0.324 -0.026 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1972786 ChemDiv1_005222 OC(COc1ccccc1CC=C)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N09 compound treatment 0.36 0.01 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1635437 ChemDiv1_005223 CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCC5)sc3c2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N10 compound treatment 0.345 -0.005 -1.0 0.396 0.046 1.0 -1.0 -1.0 1547630 ChemDiv1_005224 COc1ccc(cc1)C(=O)CSc2nnc(C3COc4ccccc4O3)n2c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N11 compound treatment 0.33 -0.02 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1925128 ChemDiv1_005225 O=C1N(CC2CCN(CC2)S(=O)(=O)c3cccs3)C(=O)c4cccc5cccc1c45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N12 compound treatment 0.342 -0.008 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972787 ChemDiv1_005226 COC(=O)c1ccc(CN2CCN(CCN3C(=O)C4C5CC(C=C5)C4C3=O)CC2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N13 compound treatment 0.416 0.066 1.0 0.386 0.036 1.0 -1.0 -1.0 1925203 ChemDiv1_005227 O=C(CSc1nnc(c2ccncc2)n1c3ccccc3)c4ccc(NS(=O)(=O)c5ccccc5)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N14 compound treatment 0.323 -0.027 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1972788 ChemDiv1_005228 Cc1cc(NC(=O)c2ccc3OCCOc3c2)no1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N15 compound treatment 0.334 -0.016 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972789 ChemDiv1_005229 CCOC(=O)c1c(oc2cc(Br)c(OCc3ccc(cc3)[N+](=O)[O-])cc12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N16 compound treatment 0.327 -0.023 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972790 ChemDiv1_005230 CN(C)CCNc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N17 compound treatment 0.334 -0.016 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1265983 ChemDiv1_005231 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccc(cc4)S(=O)(=O)Nc5nccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N18 compound treatment 0.328 -0.022 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1568399 ChemDiv1_005232 Cn1c(=O)n(C)c2nc(S)n(Cc3ccc(F)cc3)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N19 compound treatment 0.326 -0.024 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1594393 ChemDiv1_005233 CC1(CC2CC(C)(C)C1)CN2S(=O)(=O)c3ccc(cc3)C(=O)Nc4cccc(c4)c5nc6ccccc6[nH]5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N20 compound treatment 0.333 -0.017 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972791 ChemDiv1_005234 Cc1ccccc1OCC(O)Cn2c(NCCCn3ccnc3)nc4n(C)c(=O)n(C)c(=O)c24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N21 compound treatment 0.326 -0.024 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1448163 ChemDiv1_005235 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(OC)cc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N22 compound treatment 0.336 -0.014 -1.0 0.315 -0.035 -1.0 -1.0 -1.0 1512613 ChemDiv1_005236 Cn1c(SCc2ccc(cc2)C(=O)NCCO)nc3sc4CCCc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 N24 positive control 0.087 -0.263 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O01 compound treatment 0.337 -0.013 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1426253 ChemDiv1_005237 Cc1ccccc1OCC(O)Cn2c(NCc3ccccc3)nc4n(C)c(=O)n(C)c(=O)c24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O02 compound treatment 0.326 -0.024 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1628501 ChemDiv1_005238 CC1=C(C(c2cccnc2)n3nnnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O03 compound treatment 0.313 -0.037 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1351269 ChemDiv1_005239 CC(=O)N1N=C(CC1Cc2cc3cccc(C)c3[nH]c2=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O04 compound treatment 0.372 0.022 1.0 0.371 0.021 1.0 -1.0 -1.0 1263263 ChemDiv1_005240 CC1=C(C(c2ccc(OCc3ccccc3)cc2)n4nnnc4N1)C(=O)Nc5ccccn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O05 compound treatment 0.33 -0.02 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972792 ChemDiv1_005241 COc1cccc(C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccc(Br)cc4)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O06 compound treatment 0.499 0.149 1.0 0.409 0.059 1.0 -1.0 -1.0 1537433 ChemDiv1_005242 CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N(CC=C)CC=C)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O07 compound treatment 0.361 0.011 1.0 0.367 0.017 1.0 -1.0 -1.0 1432170 ChemDiv1_005243 Cc1ccc2cc(C3CC(=NN3C(=O)CCC(=O)O)c4cccs4)c(Cl)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O08 compound treatment 0.374 0.024 1.0 0.371 0.021 1.0 -1.0 -1.0 1313363 ChemDiv1_005244 Cc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)nc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O09 compound treatment 0.34 -0.01 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972793 ChemDiv1_005245 Brc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O10 compound treatment 0.342 -0.008 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1675957 ChemDiv1_005246 COc1ccccc1C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O11 compound treatment 0.346 -0.004 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972794 ChemDiv1_005247 Nc1ncnc(Sc2nc3ccccc3o2)c1[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O12 compound treatment 0.391 0.041 1.0 0.369 0.019 1.0 -1.0 -1.0 1553500 ChemDiv1_005248 Cc1nc2c(ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCc6ccccc56)sc32)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O13 compound treatment 0.346 -0.004 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1200470 ChemDiv1_005249 CC1=C(C(c2ccc(Cl)cc2)n3ncnc3N1)C(=O)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O14 compound treatment 0.35 0.0 -1.0 0.351 0.001 1.0 -1.0 -1.0 1666456 ChemDiv1_005250 O=C(Nc1ccccc1c2nc3ccccc3[nH]2)c4ccc(cc4)S(=O)(=O)N5CCc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O15 compound treatment 0.34 -0.01 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1159530 ChemDiv1_005251 CN(C)c1ccc(cc1)C2C(=C(C)Nc3ncnn23)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O16 compound treatment 0.343 -0.007 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1972795 ChemDiv1_005252 [O-][N+](=O)c1cccc(c1)C2CC(=NN2C(=O)c3cccs3)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O17 compound treatment 0.356 0.006 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1198680 ChemDiv1_005253 CN(C)c1ccc(cc1)C2C(=C(C)Nc3ncnn23)C(=O)Nc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O18 compound treatment 0.334 -0.016 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1524008 ChemDiv1_005254 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O19 compound treatment 0.336 -0.014 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1673712 ChemDiv1_005255 COC(=O)C1=C(C)Nc2nnnn2C1c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O20 compound treatment 0.338 -0.012 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1216323 ChemDiv1_005256 CCOC(=O)C1=C(C)Nc2ncnn2C1c3ccccn3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O21 compound treatment 0.336 -0.014 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1226642 ChemDiv1_005257 CCOC(=O)C1=C(C)Nc2nnnn2C1c3ccc(OCc4ccccc4)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O22 compound treatment 0.342 -0.008 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1340233 ChemDiv1_005258 CC1=C(C(c2ccc3OCOc3c2)n4nnnc4N1)C(=O)Nc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 O24 positive control 0.092 -0.258 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P01 compound treatment 0.336 -0.014 -1.0 0.377 0.027 1.0 -1.0 -1.0 1224440 ChemDiv1_005259 CC1=C(C(c2ccc(O)cc2)n3ncnc3N1)C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P02 compound treatment 0.346 -0.004 -1.0 0.354 0.004 1.0 -1.0 -1.0 1519181 ChemDiv1_005260 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc4sc(C)nc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P03 compound treatment 0.391 0.041 1.0 0.417 0.067 1.0 -1.0 -1.0 1972796 ChemDiv1_005261 Cc1onc(c1C(=O)Nc2c3CSCc3nn2c4ccc(cc4)[N+](=O)[O-])c5ccccc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P04 compound treatment 0.354 0.004 1.0 0.363 0.013 1.0 -1.0 -1.0 1238521 ChemDiv1_005262 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc5nc(SC)sc5c4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P05 compound treatment 0.452 0.102 1.0 0.452 0.102 1.0 -1.0 -1.0 1409682 ChemDiv1_005263 Cc1ccc(c(C)c1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P06 compound treatment 0.377 0.027 1.0 0.382 0.032 1.0 -1.0 -1.0 1972797 ChemDiv1_005264 OC(COCc1ccc(Cl)cc1)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P07 compound treatment 0.365 0.015 1.0 0.35 0.0 -1.0 -1.0 -1.0 1179247 ChemDiv1_005265 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4cc(C)cc(C)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P08 compound treatment 0.382 0.032 1.0 0.373 0.023 1.0 -1.0 -1.0 1972798 ChemDiv1_005266 COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P09 compound treatment 0.385 0.035 1.0 0.389 0.039 1.0 -1.0 -1.0 1166468 ChemDiv1_005267 CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N5CC(C)OC(C)C5)sc3c2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P10 compound treatment 0.374 0.024 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972799 ChemDiv1_005268 Clc1ccc(OCC(=O)N2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P11 compound treatment 0.358 0.008 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1924720 ChemDiv1_005269 Fc1ccc(cc1)S(=O)(=O)N2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P12 compound treatment 0.378 0.028 1.0 0.36 0.01 1.0 -1.0 -1.0 1736814 ChemDiv1_005270 COC(=O)c1ccc(CSc2nc3sc4CCCc4c3c(=O)n2C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P13 compound treatment 0.358 0.008 1.0 0.369 0.019 1.0 -1.0 -1.0 1925272 ChemDiv1_005271 CCOC(=O)c1c(oc2cc(Br)c(OS(=O)(=O)C)cc12)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P14 compound treatment 0.364 0.014 1.0 0.366 0.016 1.0 -1.0 -1.0 1972800 ChemDiv1_005272 O=C(N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)C5(CC6CC7CC(C6)C5)C7 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P15 compound treatment 0.366 0.016 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1925045 ChemDiv1_005273 CCOC(=O)c1c(oc2cc(Br)c(OCC(=O)C(C)(C)C)cc12)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P16 compound treatment 0.362 0.012 1.0 0.351 0.001 1.0 -1.0 -1.0 1972801 ChemDiv1_005274 CCN(CC)CCNc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc3ccc(Cl)cc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P17 compound treatment 0.359 0.009 1.0 0.358 0.008 1.0 -1.0 -1.0 1972802 ChemDiv1_005275 C=CCn1c(CCCN2C(=O)c3cccc4cccc(C2=O)c34)nnc1SCC(=O)NCc5cccnc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P18 compound treatment 0.358 0.008 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1431996 ChemDiv1_005276 COc1ccc(OCC(O)Cn2c(NCCN(C)C)nc3n(C)c(=O)n(C)c(=O)c23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P19 compound treatment 0.359 0.009 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1231993 ChemDiv1_005277 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccccc3c4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P20 compound treatment 0.357 0.007 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972803 ChemDiv1_005278 COc1ccc(OCC(O)Cn2c(NCCCn3ccnc3)nc4n(C)c(=O)n(C)c(=O)c24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P21 compound treatment 0.357 0.007 1.0 0.353 0.003 1.0 -1.0 -1.0 1464765 ChemDiv1_005279 CCOC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc(OCC)cc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P22 compound treatment 0.352 0.002 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972804 ChemDiv1_005280 CCCCOC(=O)C1Cc2c([nH]c3ccccc23)C(C)N1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.601 P24 positive control 0.095 -0.255 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A01 compound treatment 0.359 0.009 1.0 0.37 0.02 1.0 -1.0 -1.0 1972805 ChemDiv1_005281 [O-][N+](=O)c1ccc2[nH]c(SCc3nc4ncccn4c3Br)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A02 compound treatment 0.348 -0.002 -1.0 0.362 0.012 1.0 -1.0 -1.0 1293321 ChemDiv1_005282 Brc1ccc(cc1)c2cc(C(=O)Nc3cccnc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A03 compound treatment 0.337 -0.013 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972806 ChemDiv1_005283 [O-][N+](=O)c1ccc2oc(SCc3nc4ccccn4c3Br)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A04 compound treatment 0.354 0.004 1.0 0.367 0.017 1.0 -1.0 -1.0 1320843 ChemDiv1_005284 CCN(CC)C(=O)c1sc(NC(=O)C(Sc2ccccc2)c3ccccc3)c(C(=O)OC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A05 compound treatment 0.37 0.02 1.0 0.393 0.043 1.0 -1.0 -1.0 1782529 ChemDiv1_005285 Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(cs3)c4cccc(c4)[N+](=O)[O-])cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A06 compound treatment 0.366 0.016 1.0 0.384 0.034 1.0 -1.0 -1.0 1949890 ChemDiv1_005286 COc1ccc(cc1OC)c2cc(C(=O)Nc3cccc(c3)C(=O)C)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A07 compound treatment 0.329 -0.021 -1.0 0.361 0.011 1.0 -1.0 -1.0 1972807 ChemDiv1_005287 [O-][N+](=O)c1cccc(c1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A08 compound treatment 0.341 -0.009 -1.0 0.417 0.067 1.0 -1.0 -1.0 1382679 ChemDiv1_005288 Cc1nc2sc3CCCc3c2c(=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A09 compound treatment 0.346 -0.004 -1.0 0.369 0.019 1.0 -1.0 -1.0 1972808 ChemDiv1_005289 Clc1ccc(Cn2cc(C=c3sc4nc5ccccc5n4c3=O)c6ccccc26)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A10 compound treatment 0.347 -0.003 -1.0 0.384 0.034 1.0 -1.0 -1.0 1972809 ChemDiv1_005290 Brc1ccc(cc1)N2C(=O)CC(Sc3nc4CCCc4cc3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A11 compound treatment 0.341 -0.009 -1.0 0.36 0.01 1.0 -1.0 -1.0 1242730 ChemDiv1_005291 CCOc1cccc(c1)c2cc(C(=O)Nc3ccc4OCOc4c3)c5ccccc5n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A12 compound treatment 0.343 -0.007 -1.0 0.371 0.021 1.0 -1.0 -1.0 1477240 ChemDiv1_005292 CCOc1ccc(cc1)N2C(=O)CC(Sc3nc4CCCc4cc3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A13 compound treatment 0.334 -0.016 -1.0 0.353 0.003 1.0 -1.0 -1.0 1972810 ChemDiv1_005293 Cc1onc(c1C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23)c5c(Cl)cccc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A14 compound treatment 0.332 -0.018 -1.0 0.356 0.006 1.0 -1.0 -1.0 1391846 ChemDiv1_005294 CCOC(=O)C1=C(C)NC(=O)NC1c2cn(nc2c3ccc(Cl)cc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A15 compound treatment 0.329 -0.021 -1.0 0.358 0.008 1.0 -1.0 -1.0 1473341 ChemDiv1_005295 COc1ccc(c(OC)c1)c2cc(C(=O)NCc3ccc(F)cc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A16 compound treatment 0.337 -0.013 -1.0 0.354 0.004 1.0 -1.0 -1.0 1371826 ChemDiv1_005296 CCSc1nc2-c3ccccc3CC4(CCCC4)c2c(=O)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A17 compound treatment 0.324 -0.026 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1607802 ChemDiv1_005297 Cc1ccc(cc1C)c2cc(C(=O)Nc3ccccc3C(=O)N)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A18 compound treatment 0.336 -0.014 -1.0 0.352 0.002 1.0 -1.0 -1.0 1670585 ChemDiv1_005298 CN(C)c1nc(nc(n1)N(CCOc2ccccc2)C#N)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A19 compound treatment 0.336 -0.014 -1.0 0.357 0.007 1.0 -1.0 -1.0 1342940 ChemDiv1_005299 Cc1ccc2c(Cl)c(sc2c1)C(=O)Nc3sc4CC(CCc4c3C#N)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A20 compound treatment 0.328 -0.022 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1558173 ChemDiv1_005300 Cc1cc(Cl)ccc1OCC(=O)Nc2ncnc3sc4CCCCc4c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A21 compound treatment 0.339 -0.011 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1175527 ChemDiv1_005301 COc1ccc(cc1)c2cc(C(=O)Nc3ccc(cc3)S(=O)(=O)N)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A22 compound treatment 0.337 -0.013 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1140805 ChemDiv1_005302 O=C(Nc1cccc2cccnc12)c3ccc(cc3)N4C(=O)C5C6CC(C=C6)C5C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 A24 positive control 0.078 -0.272 -1.0 0.095 -0.255 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B01 compound treatment 0.357 0.007 1.0 0.368 0.018 1.0 -1.0 -1.0 1334366 ChemDiv1_005303 NC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1CCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B02 compound treatment 0.346 -0.004 -1.0 0.36 0.01 1.0 -1.0 -1.0 1972811 ChemDiv1_005304 CC1CC(N(C(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3)c4ccccc4N1C(=O)c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B03 compound treatment 0.337 -0.013 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972812 ChemDiv1_005305 Cc1sc2c(c1C)c(=O)n(c3ccccc3)c4nnc(SCC(=O)N)n42 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B04 compound treatment 0.313 -0.037 -1.0 0.351 0.001 1.0 -1.0 -1.0 1727616 ChemDiv1_005306 CCOc1ccccc1C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccc(OC)cc5)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B05 compound treatment 0.328 -0.022 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1684723 ChemDiv1_005307 O=C(N1CCSC1c2ccc3CCc4cccc2c43)c5cc6ccccc6oc5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B06 compound treatment 0.338 -0.012 -1.0 0.356 0.006 1.0 -1.0 -1.0 1972813 ChemDiv1_005308 [O-][N+](=O)c1cccc(c1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccco5)C(=O)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B07 compound treatment 0.31 -0.04 -1.0 0.367 0.017 1.0 -1.0 -1.0 1972814 ChemDiv1_005309 Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)c3cn4ccccc4n3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B08 compound treatment 0.338 -0.012 -1.0 0.385 0.035 1.0 -1.0 -1.0 1712803 ChemDiv1_005310 COc1ccc(cc1OC)C2Nc3ccc(cc3NC4=C2C(=O)CC(C)(C)C4)C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B09 compound treatment 0.313 -0.037 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1399782 ChemDiv1_005311 O=C(Nc1cccc(c1)c2cn3ccccc3n2)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B10 compound treatment 0.295 -0.055 -1.0 0.36 0.01 1.0 -1.0 -1.0 1972815 ChemDiv1_005312 COc1cc(cc(OC)c1OC)c2n[nH]c3OC(=C(C#N)C(c23)c4ccc(cc4)C(F)(F)F)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B11 compound treatment 0.318 -0.032 -1.0 0.356 0.006 1.0 -1.0 -1.0 1508646 ChemDiv1_005313 CCOc1ccc2nc(Nc3nc(O)c4ccccc4n3)nc(C)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B12 compound treatment 0.335 -0.015 -1.0 0.362 0.012 1.0 -1.0 -1.0 1972816 ChemDiv1_005314 COc1cc(cc(OC)c1OC)C2C(=C(N)Oc3[nH]nc(c23)c4cc(OC)c(OC)c(OC)c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B13 compound treatment 0.333 -0.017 -1.0 0.372 0.022 1.0 -1.0 -1.0 1135592 ChemDiv1_005315 CCCC(=O)N1C(C)CC(N(C(=O)c2ccccc2)c3ccc(F)cc3)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B14 compound treatment 0.329 -0.021 -1.0 0.356 0.006 1.0 -1.0 -1.0 1972817 ChemDiv1_005316 COc1ccc(cc1OC)C2C(=C(N)Oc3[nH]nc(c23)c4cccc(c4)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B15 compound treatment 0.314 -0.036 -1.0 0.352 0.002 1.0 -1.0 -1.0 1940250 ChemDiv1_005317 FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CN4C(=O)C5CCCCC5C4=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B16 compound treatment 0.342 -0.008 -1.0 0.366 0.016 1.0 -1.0 -1.0 1972818 ChemDiv1_005318 NC1=C(C#N)C(c2c(n[nH]c2O1)c3ccc4OCOc4c3)c5ccc(cc5)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B17 compound treatment 0.334 -0.016 -1.0 0.357 0.007 1.0 -1.0 -1.0 1972819 ChemDiv1_005319 CC1(C)N(C(=O)c2sc3ccccc3c2Cl)c4ccccc4-c5c1ssc5=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B18 compound treatment 0.323 -0.027 -1.0 0.358 0.008 1.0 -1.0 -1.0 1972820 ChemDiv1_005320 NC1=C(C#N)C(c2c(n[nH]c2O1)c3ccc4OCOc4c3)c5cccc(OC(=O)N6CCOCC6)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B19 compound treatment 0.324 -0.026 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972821 ChemDiv1_005321 COc1ccc2nc(SCc3ccc(cc3)[N+](=O)[O-])nc(C)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B20 compound treatment 0.338 -0.012 -1.0 0.362 0.012 1.0 -1.0 -1.0 1972822 ChemDiv1_005322 O=C(CSC1=NC(=O)C(Cc2ccccc2)C(=O)N1)Nc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B21 compound treatment 0.34 -0.01 -1.0 0.363 0.013 1.0 -1.0 -1.0 1171320 ChemDiv1_005323 CC1CC(N(C(=O)c2ccc(F)cc2)c3ccccc3)c4ccccc4N1C(=O)c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B22 compound treatment 0.338 -0.012 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1712115 ChemDiv1_005324 Cc1ccc(cc1C)C(=O)On2c(nc3ccccc3c2=O)C4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 B24 positive control 0.076 -0.274 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C01 compound treatment 0.362 0.012 1.0 0.372 0.022 1.0 -1.0 -1.0 1869051 ChemDiv1_005325 Cc1cc(C)n2cc(CSc3nc4cc(ccc4[nH]3)[N+](=O)[O-])nc2n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C02 compound treatment 0.331 -0.019 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1559645 ChemDiv1_005326 CCN(CC)C(=O)c1sc(NC(=O)c2cc(nc3ccccc23)c4ccc(Cl)cc4)c(C(=O)OC(C)C)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C03 compound treatment 0.335 -0.015 -1.0 0.352 0.002 1.0 -1.0 -1.0 1185665 ChemDiv1_005327 Cn1c(=O)n(C)c2nc(SCC(=O)c3ccc(F)cc3)[nH]c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C04 compound treatment 0.33 -0.02 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1645637 ChemDiv1_005328 Cc1c(NC(=O)c2cc(nc3ccccc23)c4cccc(Br)c4)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C05 compound treatment 0.364 0.014 1.0 0.387 0.037 1.0 -1.0 -1.0 1187056 ChemDiv1_005329 Oc1nc(SCC(=O)c2c[nH]c3ccccc23)nc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C06 compound treatment 0.31 -0.04 -1.0 0.355 0.005 1.0 -1.0 -1.0 1494240 ChemDiv1_005330 COc1ccc(cc1)c2cc(C(=O)N(CC=C)CC=C)c3ccccc3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C07 compound treatment 0.354 0.004 1.0 0.375 0.025 1.0 -1.0 -1.0 1926394 ChemDiv1_005331 OC(=O)CCC(=O)N1N=C(CC1c2cccs2)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C08 compound treatment 0.356 0.006 1.0 0.403 0.053 1.0 -1.0 -1.0 1631757 ChemDiv1_005332 COc1ccc(cc1)N2C(=O)CC(Sc3nc(CC(C)C)ccc3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C09 compound treatment 0.335 -0.015 -1.0 0.357 0.007 1.0 -1.0 -1.0 1678449 ChemDiv1_005333 O=c1c(=Cc2ccccc2OCc3cccc4ccccc34)sc5nc6ccccc6n15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C10 compound treatment 0.342 -0.008 -1.0 0.36 0.01 1.0 -1.0 -1.0 1499573 ChemDiv1_005334 CC1CCc2nc(SC3CC(=O)N(C3=O)c4ccccc4)c(C#N)cc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C11 compound treatment 0.37 0.02 1.0 0.438 0.088 1.0 -1.0 -1.0 1950008 ChemDiv1_005335 CCCOc1ccc(cc1)c2cc(C(=O)NCCCN3CCOCC3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C12 compound treatment 0.335 -0.015 -1.0 0.386 0.036 1.0 -1.0 -1.0 1117928 ChemDiv1_005336 CCOc1ccc(cc1)N2C(=O)CC(Sc3nc4CCCCc4cc3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C13 compound treatment 0.332 -0.018 -1.0 0.355 0.005 1.0 -1.0 -1.0 1381311 ChemDiv1_005337 CCN(CC)C(=O)c1sc(NC(=O)c2cc(nc3ccccc23)c4cccc(OC)c4)c(C(=O)OC(C)C)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C14 compound treatment 0.325 -0.025 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1088388 ChemDiv1_005338 OC1(C2CCc3ccccc3C2=O)C(=O)Nc4ccccc41 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C15 compound treatment 0.336 -0.014 -1.0 0.354 0.004 1.0 -1.0 -1.0 1566643 ChemDiv1_005339 Clc1ccc(cc1Cl)c2cc(C(=O)NC3CC3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C16 compound treatment 0.325 -0.025 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1556213 ChemDiv1_005340 CSc1nc2-c3ccccc3CC4(CCCC4)c2c(=O)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C17 compound treatment 0.329 -0.021 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1677644 ChemDiv1_005341 COc1cccc(c1)c2cc(C(=O)Nc3ccc4OCCOc4c3)c5ccccc5n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C18 compound treatment 0.324 -0.026 -1.0 0.356 0.006 1.0 -1.0 -1.0 1972823 ChemDiv1_005342 CSc1nc(nc(n1)N2CC(=O)N(CCNS(=O)(=O)c3ccc(C)cc3)C2=N)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C19 compound treatment 0.316 -0.034 -1.0 0.351 0.001 1.0 -1.0 -1.0 1163490 ChemDiv1_005343 COC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4cccc(OC)c4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C20 compound treatment 0.332 -0.018 -1.0 0.353 0.003 1.0 -1.0 -1.0 1972824 ChemDiv1_005344 OC(=O)C1CC=C(Cl)CC1C(=O)Nc2nccs2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C21 compound treatment 0.334 -0.016 -1.0 0.355 0.005 1.0 -1.0 -1.0 1633899 ChemDiv1_005345 COC(=O)c1sccc1NC(=O)c2cc(nc3ccccc23)c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C22 compound treatment 0.335 -0.015 -1.0 0.361 0.011 1.0 -1.0 -1.0 1785278 ChemDiv1_005346 O=C(Nc1sc2CCCc2c1C#N)c3ccc(cc3)N4C(=O)C5C6CC(C=C6)C5C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 C24 positive control 0.078 -0.272 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D01 compound treatment 0.35 0.0 -1.0 0.367 0.017 1.0 -1.0 -1.0 1972825 ChemDiv1_005347 Cc1sc2c(c1C)c(=O)n(c3ccccc3)c4nnc(SCC(=O)c5ccccc5)n42 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D02 compound treatment 0.334 -0.016 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972826 ChemDiv1_005348 CC1CC(N(C(=O)C)c2ccccc2)c3ccccc3N1C(=O)c4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D03 compound treatment 0.337 -0.013 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1316362 ChemDiv1_005349 COC(=O)CCSc1nc2-c3ccccc3CC(C)(C4CCCCC4)c2c(=O)[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D04 compound treatment 0.35 0.0 -1.0 0.385 0.035 1.0 -1.0 -1.0 1163438 ChemDiv1_005350 CCOc1ccccc1C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccc(OC)cc5)C(=O)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D05 compound treatment 0.348 -0.002 -1.0 0.371 0.021 1.0 -1.0 -1.0 1928272 ChemDiv1_005351 [O-][N+](=O)c1ccc(cc1)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D06 compound treatment 0.321 -0.029 -1.0 0.354 0.004 1.0 -1.0 -1.0 1972827 ChemDiv1_005352 [O-][N+](=O)c1cccc(c1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccco5)C(=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D07 compound treatment 0.315 -0.035 -1.0 0.435 0.085 1.0 -1.0 -1.0 1493908 ChemDiv1_005353 CCOc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3cn4ccccc4n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D08 compound treatment 0.337 -0.013 -1.0 0.365 0.015 1.0 -1.0 -1.0 1240853 ChemDiv1_005354 CN(C)c1ccc(cc1)C2Nc3ccc(cc3NC4=C2C(=O)CC(C)(C)C4)C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D09 compound treatment 0.334 -0.016 -1.0 0.369 0.019 1.0 -1.0 -1.0 1141789 ChemDiv1_005355 O=C(Nc1ccc(cc1)c2cn3ccccc3n2)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D10 compound treatment 0.305 -0.045 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972828 ChemDiv1_005356 COc1cc(cc(OC)c1OC)c2n[nH]c3OC(=C(C#N)C(c23)c4cccc(O)c4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D11 compound treatment 0.33 -0.02 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1410001 ChemDiv1_005357 COc1ccc2c(C)nc(Nc3nc(O)c4ccccc4n3)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D12 compound treatment 0.35 0.0 -1.0 0.382 0.032 1.0 -1.0 -1.0 1972829 ChemDiv1_005358 COc1cc(ccc1OC(=O)N2CCOCC2)C3C(=C(N)Oc4[nH]nc(c34)c5cc(OC)c(OC)c(OC)c5)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D13 compound treatment 0.315 -0.035 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1670478 ChemDiv1_005359 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)c4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D14 compound treatment 0.34 -0.01 -1.0 0.361 0.011 1.0 -1.0 -1.0 1972830 ChemDiv1_005360 COc1cc(OC)c(cc1OC)C2C(=C(N)Oc3[nH]nc(c23)c4cccc(c4)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D15 compound treatment 0.317 -0.033 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1549210 ChemDiv1_005361 Cn1cnnc1SCC(=O)N2c3ccccc3Sc4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D16 compound treatment 0.356 0.006 1.0 0.387 0.037 1.0 -1.0 -1.0 1972831 ChemDiv1_005362 CCOc1cc(ccc1O)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5OCOc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D17 compound treatment 0.34 -0.01 -1.0 0.361 0.011 1.0 -1.0 -1.0 1436630 ChemDiv1_005363 COc1ccc2N(C(=O)c3sc4ccccc4c3Cl)C(C)(C)c5ssc(=S)c5-c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D18 compound treatment 0.308 -0.042 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972832 ChemDiv1_005364 NC1=C(C#N)C(c2c(n[nH]c2O1)c3ccc4OCOc4c3)c5cccc(OC(=O)c6cccs6)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D19 compound treatment 0.323 -0.027 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972833 ChemDiv1_005365 CCOc1ccc2nc(SCc3ccc(cc3)[N+](=O)[O-])nc(C)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D20 compound treatment 0.326 -0.024 -1.0 0.354 0.004 1.0 -1.0 -1.0 1972834 ChemDiv1_005366 Brc1ccc(NC(=O)CSC2=NC(=O)C(Cc3ccccc3)C(=O)N2)nc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D21 compound treatment 0.327 -0.023 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1687575 ChemDiv1_005367 CC1CC(N(C(=O)c2cccc(C)c2)c3ccccc3)c4ccccc4N1C(=O)c5cccc(C)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D22 compound treatment 0.316 -0.034 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1213750 ChemDiv1_005368 COc1ccccc1C(=O)On2c(C)nc3ccccc3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 D24 positive control 0.078 -0.272 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E01 compound treatment 0.374 0.024 1.0 0.4 0.05 1.0 -1.0 -1.0 1972835 ChemDiv1_005369 [O-][N+](=O)c1ccc2[nH]c(SCc3nc4sccn4c3Br)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E02 compound treatment 0.344 -0.006 -1.0 0.388 0.038 1.0 -1.0 -1.0 1710631 ChemDiv1_005370 CCOc1ccc(cc1)c2cc(C(=O)NCc3ccncc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E03 compound treatment 0.332 -0.018 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1419901 ChemDiv1_005371 COC(=O)c1ccc(NC(=O)CSc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E04 compound treatment 0.342 -0.008 -1.0 0.37 0.02 1.0 -1.0 -1.0 1212138 ChemDiv1_005372 CCc1ccc(cc1)c2cc(C(=O)N3CCN(C)CC3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E05 compound treatment 0.322 -0.028 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972836 ChemDiv1_005373 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E06 compound treatment 0.36 0.01 1.0 0.387 0.037 1.0 -1.0 -1.0 1214468 ChemDiv1_005374 COc1cccc(c1)c2cc(C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccc(C)n4)c5ccccc5n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E07 compound treatment 0.334 -0.016 -1.0 0.352 0.002 1.0 -1.0 -1.0 1204127 ChemDiv1_005375 COc1ccc(cc1)C2=NN(C(C2)c3cccs3)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E08 compound treatment 0.349 -0.001 -1.0 0.364 0.014 1.0 -1.0 -1.0 1308765 ChemDiv1_005376 COc1ccc(cc1)N2C(=O)CC(Sc3nc4CCCc4cc3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E09 compound treatment 0.328 -0.022 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1718477 ChemDiv1_005377 O=c1c(=Cc2cccc(OCc3cccc4ccccc34)c2)sc5nc6ccccc6n15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E10 compound treatment 0.339 -0.011 -1.0 0.36 0.01 1.0 -1.0 -1.0 1972837 ChemDiv1_005378 CC(C)c1c(C#N)c(N)nc(SC2CC(=O)N(C2=O)c3ccccc3)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E11 compound treatment 0.316 -0.034 -1.0 0.372 0.022 1.0 -1.0 -1.0 1294280 ChemDiv1_005379 CCCOc1ccc(cc1)c2cc(C(=O)NCC3CCCO3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E12 compound treatment 0.31 -0.04 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1500031 ChemDiv1_005380 CCOc1ccc(cc1)N2C(=O)CC(Sc3nc(C)c(CC)c(C)c3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E13 compound treatment 0.328 -0.022 -1.0 0.377 0.027 1.0 -1.0 -1.0 1249230 ChemDiv1_005381 COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(nc3ccccc23)c4ccc(C)cc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E14 compound treatment 0.309 -0.041 -1.0 0.391 0.041 1.0 -1.0 -1.0 1972838 ChemDiv1_005382 Brc1ccc2NC(=O)C(=Cc3nc4ccccc4c(=O)n3Cc5ccccc5)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E15 compound treatment 0.283 -0.067 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1472054 ChemDiv1_005383 COc1cccc(c1)c2cc(C(=O)NCc3ccc(F)cc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E16 compound treatment 0.332 -0.018 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972839 ChemDiv1_005384 CC(C)N(C(=O)CN(C#N)c1nc(nc(n1)N(C)C)N(C)C)c2ccccc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E17 compound treatment 0.314 -0.036 -1.0 0.359 0.009 1.0 -1.0 -1.0 1305334 ChemDiv1_005385 COc1ccc(cc1)c2cc(C(=O)Nc3cccnc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E18 compound treatment 0.324 -0.026 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1479396 ChemDiv1_005386 CCNc1nc(NC(C)C)nc(Oc2ccc(cc2)C(=O)OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E19 compound treatment 0.333 -0.017 -1.0 0.352 0.002 1.0 -1.0 -1.0 1268825 ChemDiv1_005387 Cc1ccc(cc1)c2cc(C(=O)NCc3ccncc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E20 compound treatment 0.341 -0.009 -1.0 0.356 0.006 1.0 -1.0 -1.0 1640185 ChemDiv1_005388 CCOC(=O)c1c(NC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O)sc6CCC(C)Cc16 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E21 compound treatment 0.338 -0.012 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1676670 ChemDiv1_005389 Brc1ccc(cc1)c2cc(C(=O)NCc3ccccn3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E22 compound treatment 0.326 -0.024 -1.0 0.354 0.004 1.0 -1.0 -1.0 1972840 ChemDiv1_005390 O=C1C2C3CC(C=C3)C2C(=O)N1CCCCCCN4C(=O)C5C6CC(C=C6)C5C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 E24 positive control 0.08 -0.27 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F01 compound treatment 0.374 0.024 1.0 0.37 0.02 1.0 -1.0 -1.0 1972841 ChemDiv1_005391 Cc1sc2c(c1C)c(=O)n(c3ccccc3)c4nnc(SCC(=O)c5ccc(Cl)cc5)n42 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F02 compound treatment 0.362 0.012 1.0 0.374 0.024 1.0 -1.0 -1.0 1422452 ChemDiv1_005392 COc1ccc(cc1)C(=O)N2C(C)CC(N(C(=O)C)c3ccccc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F03 compound treatment 0.348 -0.002 -1.0 0.357 0.007 1.0 -1.0 -1.0 1368257 ChemDiv1_005393 CC1(Cc2ccccc2-c3nc(SCC(=O)N)n(Cc4ccccc4)c(=O)c31)C5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F04 compound treatment 0.341 -0.009 -1.0 0.377 0.027 1.0 -1.0 -1.0 1381370 ChemDiv1_005394 CCCOc1ccccc1C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccc(OC)cc5)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F05 compound treatment 0.346 -0.004 -1.0 0.365 0.015 1.0 -1.0 -1.0 1524648 ChemDiv1_005395 COc1cc(OC)c(cc1OC)C2SCCN2C(=O)c3cc4ccccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F06 compound treatment 0.349 -0.001 -1.0 0.374 0.024 1.0 -1.0 -1.0 1740766 ChemDiv1_005396 CCN(CC)c1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccco5)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F07 compound treatment 0.333 -0.017 -1.0 0.351 0.001 1.0 -1.0 -1.0 1457235 ChemDiv1_005397 O=C(Nc1c(nc2ccccn12)c3ccccc3)c4cccnc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F08 compound treatment 0.335 -0.015 -1.0 0.358 0.008 1.0 -1.0 -1.0 1972842 ChemDiv1_005398 NC1=C(C#N)C2(C(=O)Nc3ccc(F)cc32)c4c(n[nH]c4O1)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F09 compound treatment 0.336 -0.014 -1.0 0.374 0.024 1.0 -1.0 -1.0 1137033 ChemDiv1_005399 Cc1ccn2c(NC(=O)c3cc4cc(Br)ccc4oc3=O)c(nc2c1)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F10 compound treatment 0.335 -0.015 -1.0 0.383 0.033 1.0 -1.0 -1.0 1972843 ChemDiv1_005400 COc1cc(ccc1O)C2C(=C(N)Oc3[nH]nc(c23)c4cc(OC)c(OC)c(OC)c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F11 compound treatment 0.345 -0.005 -1.0 0.381 0.031 1.0 -1.0 -1.0 1776105 ChemDiv1_005401 CC1CC(N(C(=O)C)c2ccccc2)c3ccccc3N1C(=O)c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F12 compound treatment 0.35 0.0 -1.0 0.366 0.016 1.0 -1.0 -1.0 1972844 ChemDiv1_005402 CCOc1cc(ccc1OC(=O)N2CCOCC2)C3C(=C(N)Oc4[nH]nc(c34)c5cc(OC)c(OC)c(OC)c5)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F13 compound treatment 0.316 -0.034 -1.0 0.384 0.034 1.0 -1.0 -1.0 1551341 ChemDiv1_005403 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)c4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F14 compound treatment 0.294 -0.056 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1972845 ChemDiv1_005404 COc1cc(OC)c(C2C(=C(N)Oc3[nH]nc(c23)c4cccc(c4)[N+](=O)[O-])C#N)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F15 compound treatment 0.344 -0.006 -1.0 0.398 0.048 1.0 -1.0 -1.0 1972846 ChemDiv1_005405 COc1ccc2N(C(=O)CN3C(=O)C4CCCCC4C3=O)C(C)(C)c5ssc(=S)c5-c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F16 compound treatment 0.342 -0.008 -1.0 0.371 0.021 1.0 -1.0 -1.0 1972847 ChemDiv1_005406 COc1cc(cc(OC)c1O)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5OCOc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F17 compound treatment 0.329 -0.021 -1.0 0.392 0.042 1.0 -1.0 -1.0 1706222 ChemDiv1_005407 COc1ccc2-c3c(ssc3=S)C(C)(C)N(C(=O)c4sc5ccccc5c4Cl)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F18 compound treatment 0.367 0.017 1.0 0.427 0.077 1.0 -1.0 -1.0 1972848 ChemDiv1_005408 COc1cccc(C2C(=C(N)Oc3[nH]nc(c23)c4ccc5OCOc5c4)C#N)c1OC(=O)N6CCOCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F19 compound treatment 0.342 -0.008 -1.0 0.388 0.038 1.0 -1.0 -1.0 1972849 ChemDiv1_005409 Cn1cnnc1SCC(=O)N2c3ccccc3Sc4ccc(cc24)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F20 compound treatment 0.374 0.024 1.0 0.432 0.082 1.0 -1.0 -1.0 1972850 ChemDiv1_005410 CC1(C)CC(=O)c2sc(NC(=O)/C=C\c3ccco3)nc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F21 compound treatment 0.343 -0.007 -1.0 0.385 0.035 1.0 -1.0 -1.0 1347210 ChemDiv1_005411 COc1ccc(cc1)C(=O)N(C2CC(C)N(C(=O)c3ccc(OC)cc3)c4ccccc24)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F22 compound treatment 0.324 -0.026 -1.0 0.38 0.03 1.0 -1.0 -1.0 1178279 ChemDiv1_005412 COc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)C4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 F24 positive control 0.08 -0.27 -1.0 0.094 -0.256 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G01 compound treatment 0.386 0.036 1.0 0.406 0.056 1.0 -1.0 -1.0 1869053 ChemDiv1_005413 Cc1csc2nc(CSc3nc4cc(ccc4[nH]3)[N+](=O)[O-])cn12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G02 compound treatment 0.365 0.015 1.0 0.384 0.034 1.0 -1.0 -1.0 1972851 ChemDiv1_005414 [O-][N+](=O)c1cc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)ccc1F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G03 compound treatment 0.333 -0.017 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1227987 ChemDiv1_005415 CC(C)N(C(=O)CSc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G04 compound treatment 0.342 -0.008 -1.0 0.362 0.012 1.0 -1.0 -1.0 1301368 ChemDiv1_005416 Cc1cccc(c1)c2cc(C(=O)Nc3ccc(cc3)C(=O)N)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G05 compound treatment 0.317 -0.033 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1972852 ChemDiv1_005417 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G06 compound treatment 0.34 -0.01 -1.0 0.365 0.015 1.0 -1.0 -1.0 1333118 ChemDiv1_005418 Clc1ccccc1c2cc(C(=O)Nc3cccnc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G07 compound treatment 0.367 0.017 1.0 0.377 0.027 1.0 -1.0 -1.0 1972853 ChemDiv1_005419 COc1ccc(cc1)C2=NN(C(C2)c3ccc(Cl)cc3)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G08 compound treatment 0.338 -0.012 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1722193 ChemDiv1_005420 COc1ccc(cc1)N2C(=O)CC(Sc3nc4CCCCCc4cc3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G09 compound treatment 0.341 -0.009 -1.0 0.362 0.012 1.0 -1.0 -1.0 1972854 ChemDiv1_005421 CCOc1cc(/C=C\2/C(=O)NC(=O)N(CC=C)C2=O)ccc1OCc3ccccc3C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G10 compound treatment 0.32 -0.03 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972855 ChemDiv1_005422 COc1ccc(cc1)N2C(=O)CC(Sc3nc(N)c(C#N)c(c3C#N)c4ccc(C)cc4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G11 compound treatment 0.337 -0.013 -1.0 0.352 0.002 1.0 -1.0 -1.0 1676666 ChemDiv1_005423 CCC(C)(C)C1CCc2c(C(=O)N)c(NC(=O)c3sc4cc(C)ccc4c3Cl)sc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G12 compound treatment 0.36 0.01 1.0 0.371 0.021 1.0 -1.0 -1.0 1972856 ChemDiv1_005424 O=C1CC(Sc2nc(ccc2C#N)c3ccccc3)C(=O)N1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G13 compound treatment 0.331 -0.019 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1158835 ChemDiv1_005425 CCOC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)c(C(=O)N)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G14 compound treatment 0.337 -0.013 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1972857 ChemDiv1_005426 CN1C(=O)C(=Cc2nc3ccccc3c(=O)n2Cc4ccccc4)c5cc(Br)ccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G15 compound treatment 0.347 -0.003 -1.0 0.373 0.023 1.0 -1.0 -1.0 1972858 ChemDiv1_005427 Cc1ccc(s1)c2cc(C(=O)Nc3ccc(F)c(c3)[N+](=O)[O-])c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G16 compound treatment 0.338 -0.012 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1972859 ChemDiv1_005428 CN(C)c1nc(nc(n1)N2CC(=O)N(C2=N)c3ccc(Cl)cc3)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G17 compound treatment 0.316 -0.034 -1.0 0.364 0.014 1.0 -1.0 -1.0 1529812 ChemDiv1_005429 CCN(CC)C(=O)c1cc(nc2ccccc12)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G18 compound treatment 0.343 -0.007 -1.0 0.366 0.016 1.0 -1.0 -1.0 1424874 ChemDiv1_005430 COC(=O)COC(=O)c1ccc(Oc2nc(NC(C)C)nc(NC(C)C)n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G19 compound treatment 0.355 0.005 1.0 0.373 0.023 1.0 -1.0 -1.0 1704737 ChemDiv1_005431 COc1ccc(cc1)c2cc(C(=O)Nc3sc(C)c(C)c3C(=O)N)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G20 compound treatment 0.339 -0.011 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972860 ChemDiv1_005432 O=C(Nc1sc2CCCCc2c1C#N)c3ccc(cc3)N4C(=O)C5C6CC(C=C6)C5C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G21 compound treatment 0.335 -0.015 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1403754 ChemDiv1_005433 COC(=O)c1ccccc1NC(=O)c2cc(nc3ccccc23)c4ccc(C)s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G22 compound treatment 0.331 -0.019 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1303203 ChemDiv1_005434 NC(=O)CSc1nc2-c3ccccc3CC4(CCCCC4)c2c(=O)n1c5cccc(Br)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 G24 positive control 0.081 -0.269 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H01 compound treatment 0.359 0.009 1.0 0.38 0.03 1.0 -1.0 -1.0 1972861 ChemDiv1_005435 CC1(C)Cc2c(CO1)sc3[nH]c(=S)n(c4ccc(Br)cc4)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H02 compound treatment 0.361 0.011 1.0 0.377 0.027 1.0 -1.0 -1.0 1872587 ChemDiv1_005436 CC1CC(N(C(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3)c4ccccc4N1C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H03 compound treatment 0.352 0.002 1.0 0.369 0.019 1.0 -1.0 -1.0 1932257 ChemDiv1_005437 CON(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H04 compound treatment 0.333 -0.017 -1.0 0.403 0.053 1.0 -1.0 -1.0 1972862 ChemDiv1_005438 CCC(=O)N1C(C2=C(CC(CC2=O)c3cccc(c3)[N+](=O)[O-])Nc4ccccc14)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H05 compound treatment 0.339 -0.011 -1.0 0.358 0.008 1.0 -1.0 -1.0 1463157 ChemDiv1_005439 Clc1ccccc1C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H06 compound treatment 0.339 -0.011 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972863 ChemDiv1_005440 CC(=O)N1C(C2=C(CC(CC2=O)c3cccc(c3)[N+](=O)[O-])Nc4ccccc14)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H07 compound treatment 0.324 -0.026 -1.0 0.361 0.011 1.0 -1.0 -1.0 1723703 ChemDiv1_005441 COc1cccc(c1)C(=O)Nc2c(nc3cc(C)ccn23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H08 compound treatment 0.298 -0.052 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972864 ChemDiv1_005442 CCc1ccc(cc1)C2C(=C(N)Oc3[nH]nc(c23)c4cc(OC)c(OC)c(OC)c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H09 compound treatment 0.325 -0.025 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1972865 ChemDiv1_005443 Cc1ccn2cc(nc2c1)c3cccc(NC(=O)/C=C\C(=O)O)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H10 compound treatment 0.289 -0.061 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1972866 ChemDiv1_005444 COc1ccccc1C2C(=C(N)Oc3[nH]nc(c23)c4cc(OC)c(OC)c(OC)c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H11 compound treatment 0.326 -0.024 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1536947 ChemDiv1_005445 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)c4cccc(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H12 compound treatment 0.364 0.014 1.0 0.375 0.025 1.0 -1.0 -1.0 1972867 ChemDiv1_005446 COc1cc(cc(OC)c1OC(=O)N2CCOCC2)C3C(=C(N)Oc4[nH]nc(c34)c5cc(OC)c(OC)c(OC)c5)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H13 compound treatment 0.323 -0.027 -1.0 0.375 0.025 1.0 -1.0 -1.0 1541600 ChemDiv1_005447 COc1ccc(cc1)C(=O)N2C(C)CC(Nc3ccc(C)cc3)c4cc(C)ccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H14 compound treatment 0.355 0.005 1.0 0.414 0.064 1.0 -1.0 -1.0 1972868 ChemDiv1_005448 COc1cc(cc(OC)c1OC)C2C(=C(N)Oc3[nH]nc(c23)c4cccc(c4)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H15 compound treatment 0.373 0.023 1.0 0.403 0.053 1.0 -1.0 -1.0 1972869 ChemDiv1_005449 CCOc1ccc2N(C(=O)CN3C(=O)C4CCCCC4C3=O)C(C)(C)c5ssc(=S)c5-c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H16 compound treatment 0.338 -0.012 -1.0 0.375 0.025 1.0 -1.0 -1.0 1972870 ChemDiv1_005450 COc1cccc(C2C(=C(N)Oc3[nH]nc(c23)c4ccc5OCOc5c4)C#N)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H17 compound treatment 0.342 -0.008 -1.0 0.364 0.014 1.0 -1.0 -1.0 1285771 ChemDiv1_005451 COc1cccc2-c3c(ssc3=S)C(C)(C)N(C(=O)c4sc5ccccc5c4Cl)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H18 compound treatment 0.302 -0.048 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972871 ChemDiv1_005452 COc1cc(ccc1OC(=O)c2ccco2)C3C(=C(N)Oc4[nH]nc(c34)c5ccc6OCOc6c5)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H19 compound treatment 0.348 -0.002 -1.0 0.376 0.026 1.0 -1.0 -1.0 1501502 ChemDiv1_005453 Cc1ccc2N(C(=O)CSc3nncn3C)C(C)(C)CC(C)(c4ccccc4)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H20 compound treatment 0.338 -0.012 -1.0 0.365 0.015 1.0 -1.0 -1.0 1290704 ChemDiv1_005454 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H21 compound treatment 0.336 -0.014 -1.0 0.363 0.013 1.0 -1.0 -1.0 1377902 ChemDiv1_005455 CC1CC(N(C(=O)c2cccc(Br)c2)c3ccccc3)c4ccccc4N1C(=O)c5cccc(Br)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H22 compound treatment 0.336 -0.014 -1.0 0.352 0.002 1.0 -1.0 -1.0 1478471 ChemDiv1_005456 Fc1ccccc1C(=O)On2c(nc3ccccc3c2=O)C4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 H24 positive control 0.082 -0.268 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I01 compound treatment 0.361 0.011 1.0 0.377 0.027 1.0 -1.0 -1.0 1972872 ChemDiv1_005457 Cc1csc2nc(CSc3nc4cc(ccc4[nH]3)[N+](=O)[O-])c(Br)n12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I02 compound treatment 0.352 0.002 1.0 0.377 0.027 1.0 -1.0 -1.0 1245911 ChemDiv1_005458 CCc1ccc(cc1)c2cc(C(=O)NCc3ccncc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I03 compound treatment 0.359 0.009 1.0 0.378 0.028 1.0 -1.0 -1.0 1701313 ChemDiv1_005459 CCOc1ccc2nc(NC(=O)C3CC(=CCC3C(=O)O)C)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I04 compound treatment 0.355 0.005 1.0 0.381 0.031 1.0 -1.0 -1.0 1949458 ChemDiv1_005460 COc1ccc(cc1)c2nc3ccccc3c(C(=O)Nc4ccc(cc4)C(=O)C)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I05 compound treatment 0.326 -0.024 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1972873 ChemDiv1_005461 COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccccc3CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I06 compound treatment 0.347 -0.003 -1.0 0.364 0.014 1.0 -1.0 -1.0 1296184 ChemDiv1_005462 Cc1ccc(c(C)c1)c2cc(C(=O)NCC3CCCO3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I07 compound treatment 0.379 0.029 1.0 0.391 0.041 1.0 -1.0 -1.0 1582790 ChemDiv1_005463 COc1ccc(cc1)C2=NN(C(C2)c3ccc(Br)cc3)C(=O)CCCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I08 compound treatment 0.342 -0.008 -1.0 0.362 0.012 1.0 -1.0 -1.0 1619900 ChemDiv1_005464 COc1ccc(cc1)N2C(=O)CC(Sc3nc4CCCCc4cc3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I09 compound treatment 0.337 -0.013 -1.0 0.371 0.021 1.0 -1.0 -1.0 1972874 ChemDiv1_005465 CC(C)(C)c1ccc(OCCOc2ccc(/C=C\3/NC(=S)NC3=O)cc2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I10 compound treatment 0.393 0.043 1.0 0.396 0.046 1.0 -1.0 -1.0 1237419 ChemDiv1_005466 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I11 compound treatment 0.364 0.014 1.0 0.394 0.044 1.0 -1.0 -1.0 1972875 ChemDiv1_005467 COc1ccc(cc1OC)c2cc(C(=O)Nc3cccc(c3)[N+](=O)[O-])c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I12 compound treatment 0.347 -0.003 -1.0 0.37 0.02 1.0 -1.0 -1.0 1565271 ChemDiv1_005468 Cc1ccc(cc1)n2nc3cc(C)c(NC(=O)c4ccc5OCCOc5c4)cc3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I13 compound treatment 0.366 0.016 1.0 0.369 0.019 1.0 -1.0 -1.0 1972876 ChemDiv1_005469 CCOc1ccc(NC(=O)c2cc(nc3ccccc23)c4ccc(C)s4)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I14 compound treatment 0.401 0.051 1.0 0.406 0.056 1.0 -1.0 -1.0 1972877 ChemDiv1_005470 OC(=O)c1ccc(cc1)n2c(/C=C\c3cc(Br)ccc3O)nc4ccccc4c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I15 compound treatment 0.309 -0.041 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1388193 ChemDiv1_005471 CCc1ccc(cc1)c2cc(C(=O)NCc3ccco3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I16 compound treatment 0.338 -0.012 -1.0 0.36 0.01 1.0 -1.0 -1.0 1931352 ChemDiv1_005472 CC1N(C(=N)N(C1=O)c2ccc(Cl)c(Cl)c2)c3nc(nc(n3)N(C)C)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I17 compound treatment 0.362 0.012 1.0 0.375 0.025 1.0 -1.0 -1.0 1555030 ChemDiv1_005473 Cc1ccc2c(Cl)c(sc2c1)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4cc(C)nc(C)n4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I18 compound treatment 0.34 -0.01 -1.0 0.359 0.009 1.0 -1.0 -1.0 1946133 ChemDiv1_005474 Cn1cc(/C=C/c2nc3ccccc3c(=O)n2c4ccc(cc4)[N+](=O)[O-])c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I19 compound treatment 0.35 0.0 -1.0 0.389 0.039 1.0 -1.0 -1.0 1412115 ChemDiv1_005475 Cc1c(nc2ccccc2c1C(=O)NCCN3CCOCC3)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I20 compound treatment 0.336 -0.014 -1.0 0.359 0.009 1.0 -1.0 -1.0 1972878 ChemDiv1_005476 CC1CCc2sc(NC(=O)c3ccc(cc3)N4C(=O)C5C6CC(C=C6)C5C4=O)c(C#N)c2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I21 compound treatment 0.323 -0.027 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972879 ChemDiv1_005477 CC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I22 compound treatment 0.335 -0.015 -1.0 0.357 0.007 1.0 -1.0 -1.0 1435974 ChemDiv1_005478 CCCN(c1nc(C)c(Br)c(OC)n1)S(=O)(=O)c2ccc(C)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 I24 positive control 0.083 -0.267 -1.0 0.11 -0.24 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J01 compound treatment 0.372 0.022 1.0 0.386 0.036 1.0 -1.0 -1.0 1972880 ChemDiv1_005479 CCC1(C)Cc2c(CO1)sc3[nH]c(=S)n(c4ccc(OC)cc4)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J02 compound treatment 0.34 -0.01 -1.0 0.357 0.007 1.0 -1.0 -1.0 1972881 ChemDiv1_005480 CCOC(=O)CC(=O)CSc1nc(C)c2cc(C)c(C)cc2n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J03 compound treatment 0.357 0.007 1.0 0.372 0.022 1.0 -1.0 -1.0 1932201 ChemDiv1_005481 CON(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2C)nc(n1)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J04 compound treatment 0.348 -0.002 -1.0 0.375 0.025 1.0 -1.0 -1.0 1730756 ChemDiv1_005482 CCN(CC)c1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J05 compound treatment 0.351 0.001 1.0 0.373 0.023 1.0 -1.0 -1.0 1695143 ChemDiv1_005483 CN(C)c1ccc(cc1)C2SCCN2C(=O)c3cc4cc(Br)ccc4oc3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J06 compound treatment 0.367 0.017 1.0 0.389 0.039 1.0 -1.0 -1.0 1972882 ChemDiv1_005484 CCC(=O)N1C(C2=C(CC(CC2=O)c3cccc(c3)[N+](=O)[O-])Nc4ccccc14)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J07 compound treatment 0.348 -0.002 -1.0 0.365 0.015 1.0 -1.0 -1.0 1972883 ChemDiv1_005485 Cc1ccn2c(NC(=O)c3cccc(c3)[N+](=O)[O-])c(nc2c1)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J08 compound treatment 0.344 -0.006 -1.0 0.369 0.019 1.0 -1.0 -1.0 1972884 ChemDiv1_005486 COc1cc(cc(OC)c1OC)c2n[nH]c3OC(=C(C#N)C(c23)c4ccccc4[N+](=O)[O-])N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J09 compound treatment 0.342 -0.008 -1.0 0.361 0.011 1.0 -1.0 -1.0 1972885 ChemDiv1_005487 Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc2cccc(c2)c3cn4ccccc4n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J10 compound treatment 0.306 -0.044 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1972886 ChemDiv1_005488 CCOc1ccccc1C2C(=C(N)Oc3[nH]nc(c23)c4cc(OC)c(OC)c(OC)c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J11 compound treatment 0.351 0.001 1.0 0.37 0.02 1.0 -1.0 -1.0 1430400 ChemDiv1_005489 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J12 compound treatment 0.313 -0.037 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1972887 ChemDiv1_005490 COc1cc(cc(OC)c1OC)c2n[nH]c3OC(=C(C#N)C(c4cccs4)c23)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J13 compound treatment 0.354 0.004 1.0 0.359 0.009 1.0 -1.0 -1.0 1255655 ChemDiv1_005491 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)CN4C(=O)c5ccccc5C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J14 compound treatment 0.319 -0.031 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1972888 ChemDiv1_005492 COc1cc(ccc1OC(=O)c2cccs2)C3C(=C(N)Oc4[nH]nc(c34)c5cccc(c5)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J15 compound treatment 0.368 0.018 1.0 0.399 0.049 1.0 -1.0 -1.0 1940534 ChemDiv1_005493 Cc1ccc2-c3c(ssc3=S)C(C)(C)N(C(=O)CN4C(=O)C5CCCCC5C4=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J16 compound treatment 0.331 -0.019 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1972889 ChemDiv1_005494 COc1ccc(cc1OC)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5OCOc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J17 compound treatment 0.348 -0.002 -1.0 0.37 0.02 1.0 -1.0 -1.0 1487260 ChemDiv1_005495 Cn1cnnc1SCC(=O)N2c3ccccc3-c4c(ssc4=S)C2(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J18 compound treatment 0.325 -0.025 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972890 ChemDiv1_005496 COc1cc(ccc1OC(=O)c2cccs2)C3C(=C(N)Oc4[nH]nc(c34)c5ccc6OCOc6c5)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J19 compound treatment 0.346 -0.004 -1.0 0.362 0.012 1.0 -1.0 -1.0 1972891 ChemDiv1_005497 CCc1ccc(cc1)C2(C)CC(C)(C)N(C(=O)c3sc4cc(ccc4c3Cl)[N+](=O)[O-])c5ccccc52 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J20 compound treatment 0.345 -0.005 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972892 ChemDiv1_005498 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J21 compound treatment 0.332 -0.018 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972893 ChemDiv1_005499 CCCc1ccc(cc1)C(=O)N2C(C)CC(N(C(=O)c3ccc(cc3)[N+](=O)[O-])c4ccccc4)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J22 compound treatment 0.341 -0.009 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972894 ChemDiv1_005500 Cc1c(Br)c(nn1CC(=O)Nn2c(nc3ccccc3c2=O)C4CCCCC4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 J24 positive control 0.083 -0.267 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K01 compound treatment 0.363 0.013 1.0 0.38 0.03 1.0 -1.0 -1.0 1972895 ChemDiv1_005501 [O-][N+](=O)c1ccc2sc(SCc3nc4ncccn4c3Br)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K02 compound treatment 0.354 0.004 1.0 0.377 0.027 1.0 -1.0 -1.0 1271912 ChemDiv1_005502 Cc1cccc(c1)c2cc(C(=O)NCc3cccnc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K03 compound treatment 0.335 -0.015 -1.0 0.374 0.024 1.0 -1.0 -1.0 1573066 ChemDiv1_005503 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OCC(O)CN4CCCCC4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K04 compound treatment 0.329 -0.021 -1.0 0.351 0.001 1.0 -1.0 -1.0 1242495 ChemDiv1_005504 CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc4CC(CCc14)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K05 compound treatment 0.338 -0.012 -1.0 0.354 0.004 1.0 -1.0 -1.0 1926817 ChemDiv1_005505 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2Cl)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K06 compound treatment 0.349 -0.001 -1.0 0.366 0.016 1.0 -1.0 -1.0 1528898 ChemDiv1_005506 Clc1ccccc1c2cc(C(=O)NCc3ccccn3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K07 compound treatment 0.414 0.064 1.0 0.421 0.071 1.0 -1.0 -1.0 1972896 ChemDiv1_005507 CCOc1ccc2cc(C3=NN(C(C3)c4ccc(C)cc4)C(=O)CCC(=O)O)c(=O)[nH]c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K08 compound treatment 0.369 0.019 1.0 0.382 0.032 1.0 -1.0 -1.0 1193279 ChemDiv1_005508 COc1ccc(cc1)N2C(=O)CC(Sc3nc4CCC(C)Cc4cc3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K09 compound treatment 0.319 -0.031 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1157191 ChemDiv1_005509 CCOC(=O)c1c(NC(=O)c2sc3cc(F)ccc3c2Cl)scc1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K10 compound treatment 0.366 0.016 1.0 0.369 0.019 1.0 -1.0 -1.0 1972897 ChemDiv1_005510 Cc1nc(SC2CC(=O)N(C2=O)c3ccc(Br)cc3)c(C#N)c(C)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K11 compound treatment 0.359 0.009 1.0 0.369 0.019 1.0 -1.0 -1.0 1373098 ChemDiv1_005511 COc1ccc(cc1OC)c2cc(C(=O)Nc3cc(C)on3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K12 compound treatment 0.343 -0.007 -1.0 0.361 0.011 1.0 -1.0 -1.0 1434985 ChemDiv1_005512 OCCN1CCN(CC1)c2nc(nc(n2)N3CCCCC3)N4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K13 compound treatment 0.38 0.03 1.0 0.398 0.048 1.0 -1.0 -1.0 1541895 ChemDiv1_005513 COc1ccccc1N2CCN(CC2)C(=O)c3cc(nc4ccccc34)c5ccc(C)s5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K14 compound treatment 0.339 -0.011 -1.0 0.359 0.009 1.0 -1.0 -1.0 1933528 ChemDiv1_005514 CC(C)C1(CN2CC3(CN(C1)C24C(=O)Nc5ccccc54)C(C)C)C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K15 compound treatment 0.341 -0.009 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1481547 ChemDiv1_005515 Cc1c(nc2ccccc2c1C(=O)Nc3ccc(cc3)S(=O)(=O)N)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K16 compound treatment 0.35 0.0 -1.0 0.355 0.005 1.0 -1.0 -1.0 1972898 ChemDiv1_005516 COc1nc(nc(n1)N2C(C)C(=O)N(C2=N)c3ccc(Cl)c(Cl)c3)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K17 compound treatment 0.34 -0.01 -1.0 0.357 0.007 1.0 -1.0 -1.0 1972899 ChemDiv1_005517 Cc1ccc(s1)c2cc(C(=O)NCCCn3ccnc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K18 compound treatment 0.338 -0.012 -1.0 0.355 0.005 1.0 -1.0 -1.0 1972900 ChemDiv1_005518 CN1C(=O)C(=Cc2nc3ccccc3c(=O)n2c4ccc(cc4)[N+](=O)[O-])c5cc(Br)ccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K19 compound treatment 0.338 -0.012 -1.0 0.366 0.016 1.0 -1.0 -1.0 1716304 ChemDiv1_005519 Clc1ccc(cc1Cl)c2cc(C(=O)N3CCOCC3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K20 compound treatment 0.357 0.007 1.0 0.375 0.025 1.0 -1.0 -1.0 1351102 ChemDiv1_005520 CCOC(=O)c1c(NC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O)sc6CCCCc16 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K21 compound treatment 0.377 0.027 1.0 0.369 0.019 1.0 -1.0 -1.0 1357909 ChemDiv1_005521 CCOC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)c4ccc(OC)c(OC)c4)nc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K22 compound treatment 0.328 -0.022 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1575220 ChemDiv1_005522 CCCN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c2ccc(C)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 K24 positive control 0.083 -0.267 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L01 compound treatment 0.36 0.01 1.0 0.373 0.023 1.0 -1.0 -1.0 1972901 ChemDiv1_005523 CCC1(C)Cc2c(CO1)sc3nc(SC)n(c4ccc(OC)cc4)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L02 compound treatment 0.381 0.031 1.0 0.413 0.063 1.0 -1.0 -1.0 1972902 ChemDiv1_005524 COc1ccc(Nc2nc(Cl)nc(Nc3cccc(c3)[N+](=O)[O-])n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L03 compound treatment 0.37 0.02 1.0 0.379 0.029 1.0 -1.0 -1.0 1257403 ChemDiv1_005525 Cc1sc(NC(=O)c2cc3cc(Br)ccc3oc2=O)nc1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L04 compound treatment 0.385 0.035 1.0 0.39 0.04 1.0 -1.0 -1.0 1972903 ChemDiv1_005526 COc1ccc(cc1OC)C2N(C(=O)C)c3ccccc3NC4=C2C(=O)CC(C4)c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L05 compound treatment 0.339 -0.011 -1.0 0.359 0.009 1.0 -1.0 -1.0 1233432 ChemDiv1_005527 Cc1nc(cs1)c2ccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L06 compound treatment 0.381 0.031 1.0 0.392 0.042 1.0 -1.0 -1.0 1972904 ChemDiv1_005528 CCC(=O)N1C(C2=C(CC(CC2=O)c3cccc(c3)[N+](=O)[O-])Nc4ccccc14)c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L07 compound treatment 0.34 -0.01 -1.0 0.354 0.004 1.0 -1.0 -1.0 1784263 ChemDiv1_005529 [O-][N+](=O)c1ccc(cc1)C(=O)Nc2c(nc3ccccn23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L08 compound treatment 0.338 -0.012 -1.0 0.361 0.011 1.0 -1.0 -1.0 1972905 ChemDiv1_005530 COc1cc(cc(OC)c1OC)c2n[nH]c3OC(=C(C#N)C(c23)c4ccccc4Cl)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L09 compound treatment 0.356 0.006 1.0 0.382 0.032 1.0 -1.0 -1.0 1572388 ChemDiv1_005531 O=S(=O)(Nc1cccc(c1)c2cn3ccccc3n2)c4ccc5ccccc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L10 compound treatment 0.344 -0.006 -1.0 0.39 0.04 1.0 -1.0 -1.0 1972906 ChemDiv1_005532 COc1cc(cc(OC)c1O)C2C(=C(N)Oc3[nH]nc(c23)c4cc(OC)c(OC)c(OC)c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L11 compound treatment 0.379 0.029 1.0 0.389 0.039 1.0 -1.0 -1.0 1216629 ChemDiv1_005533 CC1CC(N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc4)c5ccccc5N1C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L12 compound treatment 0.37 0.02 1.0 0.395 0.045 1.0 -1.0 -1.0 1972907 ChemDiv1_005534 NC1=C(C#N)C(c2c(n[nH]c2O1)c3cccc(c3)[N+](=O)[O-])c4cc(Br)ccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L13 compound treatment 0.33 -0.02 -1.0 0.372 0.022 1.0 -1.0 -1.0 1170338 ChemDiv1_005535 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)COc4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L14 compound treatment 0.373 0.023 1.0 0.401 0.051 1.0 -1.0 -1.0 1972908 ChemDiv1_005536 CCOc1cc(ccc1OC(=O)N2CCOCC2)C3C(=C(N)Oc4[nH]nc(c34)c5cccc(c5)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L15 compound treatment 0.369 0.019 1.0 0.381 0.031 1.0 -1.0 -1.0 1972909 ChemDiv1_005537 COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)C4CCCCC4C3=O)c5ccccc25)S1)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L16 compound treatment 0.325 -0.025 -1.0 0.354 0.004 1.0 -1.0 -1.0 1972910 ChemDiv1_005538 COc1ccc(C2C(=C(N)Oc3[nH]nc(c23)c4ccc5OCOc5c4)C#N)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L17 compound treatment 0.36 0.01 1.0 0.379 0.029 1.0 -1.0 -1.0 1289799 ChemDiv1_005539 Cc1ccc2-c3c(ssc3=S)C(C)(C)N(C(=O)CSc4nc5ccccc5o4)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L18 compound treatment 0.338 -0.012 -1.0 0.355 0.005 1.0 -1.0 -1.0 1972911 ChemDiv1_005540 CCOc1cc(ccc1OC(=O)c2ccco2)C3C(=C(N)Oc4[nH]nc(c34)c5ccc6OCOc6c5)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L19 compound treatment 0.336 -0.014 -1.0 0.356 0.006 1.0 -1.0 -1.0 1366937 ChemDiv1_005541 CC1CC(N(C(=O)c2ccc(Cl)cc2)c3ccccc3)c4ccccc4N1C(=O)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L20 compound treatment 0.345 -0.005 -1.0 0.361 0.011 1.0 -1.0 -1.0 1371364 ChemDiv1_005542 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)c4cc(Br)ccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L21 compound treatment 0.352 0.002 1.0 0.381 0.031 1.0 -1.0 -1.0 1972912 ChemDiv1_005543 CCCCCC(=O)N(C1CC(C)N(C(=O)c2cccc(OC)c2)c3ccccc13)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L22 compound treatment 0.334 -0.016 -1.0 0.356 0.006 1.0 -1.0 -1.0 1157436 ChemDiv1_005544 COc1ccc(Br)c(c1)C(=O)Nn2c(nc3ccccc3c2=O)c4ccccc4F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 L24 positive control 0.084 -0.266 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M01 compound treatment 0.418 0.068 1.0 0.41 0.06 1.0 -1.0 -1.0 1972913 ChemDiv1_005545 Cc1csc2nc(CSc3nc4cc(ccc4s3)[N+](=O)[O-])c(Br)n12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M02 compound treatment 0.329 -0.021 -1.0 0.377 0.027 1.0 -1.0 -1.0 1247316 ChemDiv1_005546 CCN(CC)C(=O)c1sc(NC(=O)c2cc(nc3ccccc23)c4ccc(Cl)c(Cl)c4)c(C(=O)OC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M03 compound treatment 0.438 0.088 1.0 0.497 0.147 1.0 -1.0 -1.0 1972914 ChemDiv1_005547 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OCC(O)CNCCO)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M04 compound treatment 0.362 0.012 1.0 0.374 0.024 1.0 -1.0 -1.0 1198463 ChemDiv1_005548 CCN(CC)C(=O)c1sc(NC(=O)c2c(C)onc2c3ccccc3Cl)c(C(=O)OC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M05 compound treatment 0.356 0.006 1.0 0.369 0.019 1.0 -1.0 -1.0 1972915 ChemDiv1_005549 Clc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M06 compound treatment 0.353 0.003 1.0 0.354 0.004 1.0 -1.0 -1.0 1236558 ChemDiv1_005550 COC(=O)c1sccc1NC(=O)c2cc(nc3ccccc23)c4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M07 compound treatment 0.417 0.067 1.0 0.427 0.077 1.0 -1.0 -1.0 1701106 ChemDiv1_005551 CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(=O)O)c4ccccc4)c(Cl)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M08 compound treatment 0.376 0.026 1.0 0.402 0.052 1.0 -1.0 -1.0 1972916 ChemDiv1_005552 COc1ccc(cc1)N2C(=O)CC(Sc3nc(N)c(C#N)c(c3C#N)c4ccccc4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M09 compound treatment 0.353 0.003 1.0 0.357 0.007 1.0 -1.0 -1.0 1714671 ChemDiv1_005553 CCOc1cccc(c1)c2cc(C(=O)Nc3cc(C)on3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M10 compound treatment 0.355 0.005 1.0 0.361 0.011 1.0 -1.0 -1.0 1584909 ChemDiv1_005554 O=C1CC(Sc2nc3CCCCCc3cc2C#N)C(=O)N1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M11 compound treatment 0.368 0.018 1.0 0.397 0.047 1.0 -1.0 -1.0 1242438 ChemDiv1_005555 O=C(Nc1ccc2OCOc2c1)c3cc(nc4ccccc34)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M12 compound treatment 0.327 -0.023 -1.0 0.376 0.026 1.0 -1.0 -1.0 1972917 ChemDiv1_005556 COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCSc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M13 compound treatment 0.353 0.003 1.0 0.369 0.019 1.0 -1.0 -1.0 1643117 ChemDiv1_005557 Clc1ccc(cc1)c2cc(C(=O)N3CCCCC3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M14 compound treatment 0.376 0.026 1.0 0.402 0.052 1.0 -1.0 -1.0 1972918 ChemDiv1_005558 Brc1ccc(cc1)n2c(C=C3C(=O)Nc4ccccc34)nc5ccccc5c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M15 compound treatment 0.33 -0.02 -1.0 0.37 0.02 1.0 -1.0 -1.0 1972919 ChemDiv1_005559 COc1cccc(c1)c2cc(C(=O)NCCCn3ccnc3)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M16 compound treatment 0.343 -0.007 -1.0 0.352 0.002 1.0 -1.0 -1.0 1309660 ChemDiv1_005560 CCNc1nc(NC(C)CC)nc(Oc2ccc(cc2)C(=O)OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M17 compound treatment 0.371 0.021 1.0 0.381 0.031 1.0 -1.0 -1.0 1631818 ChemDiv1_005561 COc1ccc(cc1OC)c2cc(C(=O)Nc3ccccc3F)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M18 compound treatment 0.344 -0.006 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972920 ChemDiv1_005562 CC1(C)Cc2c(C#N)c(NC(=O)CN3C(=O)C4CC=C(Cl)CC4C3=O)sc2CO1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M19 compound treatment 0.314 -0.036 -1.0 0.354 0.004 1.0 -1.0 -1.0 1594627 ChemDiv1_005563 CCN(CC)C(=O)c1sc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)c(C(=O)OC)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M20 compound treatment 0.318 -0.032 -1.0 0.353 0.003 1.0 -1.0 -1.0 1972921 ChemDiv1_005564 O=C(Nc1cccc2ccccc12)c3ccc(cc3)N4C(=O)C5C6CC(C=C6)C5C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M21 compound treatment 0.345 -0.005 -1.0 0.363 0.013 1.0 -1.0 -1.0 1972922 ChemDiv1_005565 [O-][N+](=O)c1ccc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M22 compound treatment 0.345 -0.005 -1.0 0.357 0.007 1.0 -1.0 -1.0 1609074 ChemDiv1_005566 CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c2ccccc2Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 M24 positive control 0.085 -0.265 -1.0 0.102 -0.248 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N01 compound treatment 0.355 0.005 1.0 0.369 0.019 1.0 -1.0 -1.0 1972923 ChemDiv1_005567 CCOC(=O)CSc1nc2sc3COC(C)(CC)Cc3c2c(=O)n1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N02 compound treatment 0.346 -0.004 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1418520 ChemDiv1_005568 COc1ccc(cc1)N2C(=O)CC(Sc3nc(C)c4ccccc4n3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N03 compound treatment 0.349 -0.001 -1.0 0.373 0.023 1.0 -1.0 -1.0 1534034 ChemDiv1_005569 Brc1ccc2oc(=O)c(cc2c1)C(=O)Nc3cccc(c3)c4cn5ccccc5n4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N04 compound treatment 0.363 0.013 1.0 0.381 0.031 1.0 -1.0 -1.0 1972924 ChemDiv1_005570 CCC(=O)N1C(C2=C(CC(CC2=O)c3cccc(c3)[N+](=O)[O-])Nc4ccccc14)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N05 compound treatment 0.376 0.026 1.0 0.36 0.01 1.0 -1.0 -1.0 1657316 ChemDiv1_005571 Brc1ccc2oc(=O)c(cc2c1)C(=O)Nc3ccc(cc3)c4cn5ccccc5n4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N06 compound treatment 0.366 0.016 1.0 0.391 0.041 1.0 -1.0 -1.0 1785310 ChemDiv1_005572 CC(=O)N1C(C2=C(CC(CC2=O)c3cccc(c3)[N+](=O)[O-])Nc4ccccc14)c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N07 compound treatment 0.39 0.04 1.0 0.385 0.035 1.0 -1.0 -1.0 1784264 ChemDiv1_005573 Cc1ccn2c(NC(=O)c3ccc(cc3)[N+](=O)[O-])c(nc2c1)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N08 compound treatment 0.376 0.026 1.0 0.388 0.038 1.0 -1.0 -1.0 1972925 ChemDiv1_005574 COc1cc(cc(OC)c1OC)c2n[nH]c3OC(=C(C#N)C(c23)c4cccc(Br)c4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N09 compound treatment 0.446 0.096 1.0 0.46 0.11 1.0 -1.0 -1.0 1271696 ChemDiv1_005575 Cc1nc(sc1C(=O)Nc2ccc(cc2)c3cn4ccccc4n3)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N10 compound treatment 0.381 0.031 1.0 0.399 0.049 1.0 -1.0 -1.0 1972926 ChemDiv1_005576 COc1cc(cc(OC)c1OC(=O)C)C2C(=C(N)Oc3[nH]nc(c23)c4cc(OC)c(OC)c(OC)c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N11 compound treatment 0.367 0.017 1.0 0.361 0.011 1.0 -1.0 -1.0 1972927 ChemDiv1_005577 CCCCCC(=O)N1C(C)CC(N(C(=O)c2cccc(OC)c2)c3ccccc3)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N12 compound treatment 0.368 0.018 1.0 0.378 0.028 1.0 -1.0 -1.0 1972928 ChemDiv1_005578 NC1=C(C#N)C(c2c(n[nH]c2O1)c3cccc(c3)[N+](=O)[O-])c4ccccc4C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N13 compound treatment 0.344 -0.006 -1.0 0.358 0.008 1.0 -1.0 -1.0 1972929 ChemDiv1_005579 COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(C(=O)CSc3nc4ccccc4o3)c5ccc(OC)cc25)S1)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N14 compound treatment 0.347 -0.003 -1.0 0.39 0.04 1.0 -1.0 -1.0 1972930 ChemDiv1_005580 NC1=C(C#N)C(c2c(n[nH]c2O1)c3ccc4OCOc4c3)c5ccccc5Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N15 compound treatment 0.362 0.012 1.0 0.396 0.046 1.0 -1.0 -1.0 1972931 ChemDiv1_005581 COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)C4CCCCC4C3=O)c5cc(C)ccc25)S1)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N16 compound treatment 0.382 0.032 1.0 0.425 0.075 1.0 -1.0 -1.0 1972932 ChemDiv1_005582 COc1cc(OC)c(cc1OC)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5OCOc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N17 compound treatment 0.429 0.079 1.0 0.475 0.125 1.0 -1.0 -1.0 1330507 ChemDiv1_005583 Cc1cc(C)c2N(C(=O)CSc3nncn3C)C(C)(C)c4ssc(=S)c4-c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N18 compound treatment 0.339 -0.011 -1.0 0.352 0.002 1.0 -1.0 -1.0 1541812 ChemDiv1_005584 CCC(Sc1nc2ccccc2o1)C(=O)Nc3ccc(Cl)cn3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N19 compound treatment 0.408 0.058 1.0 0.395 0.045 1.0 -1.0 -1.0 1946567 ChemDiv1_005585 COc1ccc2nc(NC3=NC(CC(=O)N3)c4ccccc4)nc(C)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N20 compound treatment 0.366 0.016 1.0 0.379 0.029 1.0 -1.0 -1.0 1972933 ChemDiv1_005586 [O-][N+](=O)c1cc(C(=O)Nn2c(nc3ccccc3c2=O)C4CCCCC4)c(Cl)c(c1)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N21 compound treatment 0.338 -0.012 -1.0 0.355 0.005 1.0 -1.0 -1.0 1283410 ChemDiv1_005587 COc1ccc(OCC(=O)N2C(C)CC(Nc3ccccc3)c4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N22 compound treatment 0.339 -0.011 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1333556 ChemDiv1_005588 Fc1ccccc1c2nc3ccccc3c(=O)n2NC(=O)c4cc5ccccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 N24 positive control 0.083 -0.267 -1.0 0.093 -0.257 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O01 compound treatment 0.346 -0.004 -1.0 0.351 0.001 1.0 -1.0 -1.0 1972934 ChemDiv1_005589 Cc1cccc2nc(CSc3nc4cc(ccc4o3)[N+](=O)[O-])c(Br)n12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O02 compound treatment 0.425 0.075 1.0 0.454 0.104 1.0 -1.0 -1.0 1507899 ChemDiv1_005590 Brc1cccc(NC(=O)c2cc(nc3ccccc23)c4ccco4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O03 compound treatment 0.376 0.026 1.0 0.406 0.056 1.0 -1.0 -1.0 1370080 ChemDiv1_005591 Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(cs3)c4ccc(F)cc4F)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O04 compound treatment 0.408 0.058 1.0 0.418 0.068 1.0 -1.0 -1.0 1453072 ChemDiv1_005592 COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(nc3ccccc23)c4ccc(C)o4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O05 compound treatment 0.349 -0.001 -1.0 0.368 0.018 1.0 -1.0 -1.0 1505219 ChemDiv1_005593 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O06 compound treatment 0.335 -0.015 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1713098 ChemDiv1_005594 CCC1CCc2c(C(=O)OC)c(NC(=O)c3sc4ccccc4c3Cl)sc2C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O07 compound treatment 0.371 0.021 1.0 0.382 0.032 1.0 -1.0 -1.0 1130872 ChemDiv1_005595 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3OC)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O08 compound treatment 0.364 0.014 1.0 0.385 0.035 1.0 -1.0 -1.0 1329993 ChemDiv1_005596 O=C1CC(Sc2nc3CCCc3cc2C#N)C(=O)N1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O09 compound treatment 0.394 0.044 1.0 0.434 0.084 1.0 -1.0 -1.0 1277410 ChemDiv1_005597 CCOc1cccc(c1)c2cc(C(=O)Nc3ccc4OCCOc4c3)c5ccccc5n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O10 compound treatment 0.361 0.011 1.0 0.38 0.03 1.0 -1.0 -1.0 1354984 ChemDiv1_005598 CCOc1ccc(cc1)N2C(=O)CC(Sc3nc(C)ccc3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O11 compound treatment 0.359 0.009 1.0 0.385 0.035 1.0 -1.0 -1.0 1972935 ChemDiv1_005599 [O-][N+](=O)c1ccccc1NC(=O)c2cc(nc3ccccc23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O12 compound treatment 0.351 0.001 1.0 0.408 0.058 1.0 -1.0 -1.0 1972936 ChemDiv1_005600 Cc1cccc(OCCOc2ccc(Cl)cc2C=C3C(=O)NC(=S)NC3=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O13 compound treatment 0.405 0.055 1.0 0.461 0.111 1.0 -1.0 -1.0 1660121 ChemDiv1_005601 COc1ccc(cc1OC)c2cc(C(=O)Nc3ccccc3C(=O)N)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O14 compound treatment 0.328 -0.022 -1.0 0.351 0.001 1.0 -1.0 -1.0 1508109 ChemDiv1_005602 Cn1c(SCc2ccccc2)nc3-c4ccccc4CC5(CCCC5)c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O15 compound treatment 0.379 0.029 1.0 0.398 0.048 1.0 -1.0 -1.0 1229854 ChemDiv1_005603 COC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)c4ccccc4)c(C(=O)N)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O16 compound treatment 0.338 -0.012 -1.0 0.361 0.011 1.0 -1.0 -1.0 1217503 ChemDiv1_005604 CCOC(=O)c1ccc(Oc2nc(NC)nc(SC)n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O17 compound treatment 0.341 -0.009 -1.0 0.379 0.029 1.0 -1.0 -1.0 1578995 ChemDiv1_005605 COC(=O)c1sccc1NC(=O)c2cc(nc3ccccc23)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O18 compound treatment 0.354 0.004 1.0 0.382 0.032 1.0 -1.0 -1.0 1972937 ChemDiv1_005606 ClC1=CCC2C(C1)C(=O)N(CC(=O)Nc3sc4CCCCc4c3C#N)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O19 compound treatment 0.348 -0.002 -1.0 0.37 0.02 1.0 -1.0 -1.0 1184668 ChemDiv1_005607 COc1cccc(c1)c2cc(C(=O)Nc3ccccc3OC)c4ccccc4n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O20 compound treatment 0.359 0.009 1.0 0.39 0.04 1.0 -1.0 -1.0 1972938 ChemDiv1_005608 COc1ccc(NC(=O)c2ccc(cc2)N3C(=O)C4CC=C(Cl)CC4C3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O21 compound treatment 0.342 -0.008 -1.0 0.355 0.005 1.0 -1.0 -1.0 1694754 ChemDiv1_005609 NC(=O)c1ccccc1NC(=O)c2cc(nc3ccccc23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O22 compound treatment 0.351 0.001 1.0 0.36 0.01 1.0 -1.0 -1.0 1387249 ChemDiv1_005610 COc1cc(C)nc(n1)N(CC(=O)N)S(=O)(=O)c2ccc(C)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 O24 positive control 0.087 -0.263 -1.0 0.113 -0.237 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P01 compound treatment 0.385 0.035 1.0 0.364 0.014 1.0 -1.0 -1.0 1972939 ChemDiv1_005611 COc1ccc(cc1)n2c(SCC=C)nc3sc4COC(C)(C)Cc4c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P02 compound treatment 0.368 0.018 1.0 0.378 0.028 1.0 -1.0 -1.0 1298888 ChemDiv1_005612 CCN(CC)c1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccccc5)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P03 compound treatment 0.408 0.058 1.0 0.422 0.072 1.0 -1.0 -1.0 1629242 ChemDiv1_005613 Brc1ccc2oc(=O)c(cc2c1)C(=O)Nc3nc(cs3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P04 compound treatment 0.387 0.037 1.0 0.4 0.05 1.0 -1.0 -1.0 1972940 ChemDiv1_005614 CCCCCC(=O)N1C(C2=C(CC(CC2=O)c3cccc(c3)[N+](=O)[O-])Nc4ccccc14)c5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P05 compound treatment 0.427 0.077 1.0 0.438 0.088 1.0 -1.0 -1.0 1972941 ChemDiv1_005615 [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc2ccc(cc2)c3cn4ccccc4n3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P06 compound treatment 0.493 0.143 1.0 0.511 0.161 1.0 -1.0 -1.0 1229490 ChemDiv1_005616 CCN(CC)c1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccccc5)C(=O)CCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P07 compound treatment 0.393 0.043 1.0 0.397 0.047 1.0 -1.0 -1.0 1465144 ChemDiv1_005617 Cc1ccn2c(NC(=O)c3cccs3)c(nc2c1)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P08 compound treatment 0.367 0.017 1.0 0.411 0.061 1.0 -1.0 -1.0 1972942 ChemDiv1_005618 COc1cc(cc(OC)c1OC)c2n[nH]c3OC(=C(C#N)C(c23)c4c(F)cccc4Cl)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P09 compound treatment 0.377 0.027 1.0 0.437 0.087 1.0 -1.0 -1.0 1589132 ChemDiv1_005619 COc1ccc2nc(Nc3nc(O)c4ccccc4n3)nc(C)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P10 compound treatment 0.369 0.019 1.0 0.419 0.069 1.0 -1.0 -1.0 1972943 ChemDiv1_005620 COc1ccc(C2C(=C(N)Oc3[nH]nc(c23)c4cc(OC)c(OC)c(OC)c4)C#N)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P11 compound treatment 0.367 0.017 1.0 0.377 0.027 1.0 -1.0 -1.0 1779873 ChemDiv1_005621 CCC(=O)N1C(C)CC(N(C(=O)c2ccccc2)c3cccc(c3)[N+](=O)[O-])c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P12 compound treatment 0.39 0.04 1.0 0.409 0.059 1.0 -1.0 -1.0 1972944 ChemDiv1_005622 COc1cccc(C2C(=C(N)Oc3[nH]nc(c23)c4cccc(c4)[N+](=O)[O-])C#N)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P13 compound treatment 0.36 0.01 1.0 0.362 0.012 1.0 -1.0 -1.0 1972945 ChemDiv1_005623 CCCCCCCC(=O)N1C(C)CC(N(C(=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P14 compound treatment 0.38 0.03 1.0 0.384 0.034 1.0 -1.0 -1.0 1972946 ChemDiv1_005624 NC1=C(C#N)C(c2c(n[nH]c2O1)c3ccc4OCOc4c3)c5c(F)cccc5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P15 compound treatment 0.365 0.015 1.0 0.384 0.034 1.0 -1.0 -1.0 1641146 ChemDiv1_005625 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P16 compound treatment 0.442 0.092 1.0 0.455 0.105 1.0 -1.0 -1.0 1972947 ChemDiv1_005626 COc1cc(cc(OC)c1OC)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5OCOc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P17 compound treatment 0.361 0.011 1.0 0.368 0.018 1.0 -1.0 -1.0 1539177 ChemDiv1_005627 CC1CC(N(C(=O)C2CC2)c3ccccc3)c4ccccc4N1C(=O)C5CC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P18 compound treatment 0.368 0.018 1.0 0.376 0.026 1.0 -1.0 -1.0 1927909 ChemDiv1_005628 Cn1cnnc1SCC(=O)N2CCCc3ccccc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P19 compound treatment 0.364 0.014 1.0 0.38 0.03 1.0 -1.0 -1.0 1618765 ChemDiv1_005629 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)c4ccc(NS(=O)(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P20 compound treatment 0.362 0.012 1.0 0.36 0.01 1.0 -1.0 -1.0 1972948 ChemDiv1_005630 Fc1ccccc1c2nc3ccccc3c(=O)n2NC(=O)c4cc5cc(Br)ccc5oc4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P21 compound treatment 0.359 0.009 1.0 0.361 0.011 1.0 -1.0 -1.0 1240360 ChemDiv1_005631 COc1ccc(OCC(=O)N(C2CC(C)N(C(=O)COc3ccc(OC)cc3)c4ccccc24)c5ccccc5)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P22 compound treatment 0.353 0.003 1.0 0.36 0.01 1.0 -1.0 -1.0 1972949 ChemDiv1_005632 Cc1c(Br)c(nn1CC(=O)Nn2c(nc3ccccc3c2=O)c4ccc(F)cc4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.602 P24 positive control 0.104 -0.246 -1.0 0.113 -0.237 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A01 compound treatment 0.362 0.012 1.0 0.358 0.008 1.0 -1.0 -1.0 1972950 ChemDiv1_005633 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(OC)c(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A02 compound treatment 0.413 0.063 1.0 0.409 0.059 1.0 -1.0 -1.0 1605626 ChemDiv1_005634 Oc1ccc(Nc2nc3nonc3nc2Nc4ccc(O)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A03 compound treatment 0.343 -0.007 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972951 ChemDiv1_005635 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)/C=C/c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A04 compound treatment 0.351 0.001 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1369228 ChemDiv1_005636 COc1cc(cc(OC)c1OC(=O)C)C2C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A05 compound treatment 0.345 -0.005 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1189514 ChemDiv1_005637 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc3OCOc3c2)C(=O)Nc4ccc(OC)cc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A06 compound treatment 0.345 -0.005 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1403900 ChemDiv1_005638 O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N4CCCC4)cc2s1)NC5CC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A07 compound treatment 0.369 0.019 1.0 0.362 0.012 1.0 -1.0 -1.0 1348397 ChemDiv1_005639 COc1ccc(OC)c(c1)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A08 compound treatment 0.349 -0.001 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1918192 ChemDiv1_005640 CCOC(=O)C1=C(N)Oc2c(C1c3cccc(c3)[N+](=O)[O-])c(=O)oc4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A09 compound treatment 0.317 -0.033 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1950303 ChemDiv1_005641 COc1ccc(OC)c(c1)N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A10 compound treatment 0.368 0.018 1.0 0.355 0.005 1.0 -1.0 -1.0 1972952 ChemDiv1_005642 CCCc1n[nH]c2OC(=C(C#N)C(c12)c3ccc(OC(=O)N4CCOCC4)c(OC)c3)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A11 compound treatment 0.334 -0.016 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1145505 ChemDiv1_005643 Clc1ccc(Oc2ccccc2)c(NC(=O)CSc3nc4ccccc4o3)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A12 compound treatment 0.366 0.016 1.0 0.35 0.0 -1.0 -1.0 -1.0 1972953 ChemDiv1_005644 CC(C)(C)c1n[nH]c2OC(=C(C#N)C(c12)c3ccc(OC(=O)N4CCOCC4)cc3)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A13 compound treatment 0.341 -0.009 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972954 ChemDiv1_005645 COc1cc(cc2sc(NC(=O)C3(CC4CC5CC(C4)C3)C5)nc12)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A14 compound treatment 0.347 -0.003 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1972955 ChemDiv1_005646 CCC1C(=O)N=C(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)N(C1=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A15 compound treatment 0.353 0.003 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1972956 ChemDiv1_005647 Cc1cc(c(C#N)c(SC2CC(=O)N(C2=O)c3ccccc3)n1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A16 compound treatment 0.349 -0.001 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1947229 ChemDiv1_005648 Nc1nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c(c1C#N)c3ccc(O)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A17 compound treatment 0.337 -0.013 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972957 ChemDiv1_005649 COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(OC)ccc3OC)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A18 compound treatment 0.342 -0.008 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1609447 ChemDiv1_005650 COC(=O)C1C(C(=C(NC1=O)SCc2cccc3ccccc23)C#N)c4ccccc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A19 compound treatment 0.486 0.136 1.0 0.479 0.129 1.0 -1.0 -1.0 1972958 ChemDiv1_005651 CCN(CC)c1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3cc(OC)ccc3OC)c(O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A20 compound treatment 0.338 -0.012 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1338015 ChemDiv1_005652 CCOC(=O)c1c(C)c(sc1NC(=O)COc2c(F)c(F)cc(F)c2F)C(=O)N(CC)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A21 compound treatment 0.341 -0.009 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1972959 ChemDiv1_005653 COc1cccc(c1)c2nnc(SCC(=O)c3cccs3)n2CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A22 compound treatment 0.351 0.001 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972960 ChemDiv1_005654 COc1ccc(cc1)N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 A24 positive control 0.079 -0.271 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B01 compound treatment 0.359 0.009 1.0 0.36 0.01 1.0 -1.0 -1.0 1226634 ChemDiv1_005655 CCOC(=O)c1c(C)c(sc1NC(=O)C(C)Oc2c(F)c(F)cc(F)c2F)C(=O)N(CC)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B02 compound treatment 0.338 -0.012 -1.0 0.356 0.006 1.0 -1.0 -1.0 1630339 ChemDiv1_005656 OCCNc1nc(Cl)nc(n1)N2CCC(Cc3ccccc3)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B03 compound treatment 0.333 -0.017 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972961 ChemDiv1_005657 COc1ccc(cc1OC)c2n[nH]c3OC(=C(C#N)C(c23)c4c(F)cccc4Cl)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B04 compound treatment 0.334 -0.016 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1589231 ChemDiv1_005658 Clc1ccccc1N2CC(CC2=O)C(=O)Nc3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B05 compound treatment 0.338 -0.012 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1174511 ChemDiv1_005659 CCOc1cc(ccc1O)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B06 compound treatment 0.417 0.067 1.0 0.395 0.045 1.0 -1.0 -1.0 1972962 ChemDiv1_005660 OC(=O)c1ccccc1NC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B07 compound treatment 0.375 0.025 1.0 0.364 0.014 1.0 -1.0 -1.0 1972963 ChemDiv1_005661 COc1ccc(cc1OC)C2C(=C(N)Oc3[nH]nc(c23)c4ccc(cc4)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B08 compound treatment 0.392 0.042 1.0 0.374 0.024 1.0 -1.0 -1.0 1972964 ChemDiv1_005662 CN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Br)c(oc23)C(F)(F)F)CC1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B09 compound treatment 0.373 0.023 1.0 0.361 0.011 1.0 -1.0 -1.0 1972965 ChemDiv1_005663 COc1ccc(cc1O)C2C(=C(N)Oc3[nH]nc(c23)c4ccc(OC)c(OC)c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B10 compound treatment 0.379 0.029 1.0 0.356 0.006 1.0 -1.0 -1.0 1476095 ChemDiv1_005664 COC(=O)c1cccc(Nc2ncnc3ccc(Br)cc23)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B11 compound treatment 0.329 -0.021 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1972966 ChemDiv1_005665 CC(NC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1C)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B12 compound treatment 0.334 -0.016 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972967 ChemDiv1_005666 CCOc1ccc2c(=O)c(Oc3ccccc3Br)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B13 compound treatment 0.361 0.011 1.0 0.336 -0.014 -1.0 -1.0 -1.0 1972968 ChemDiv1_005667 CC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)O)cc3s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B14 compound treatment 0.339 -0.011 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1925921 ChemDiv1_005668 Cc1[n+]([O-])c2ccccc2n(OCC=C)c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B15 compound treatment 0.348 -0.002 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1341470 ChemDiv1_005669 Fc1cccc(Nc2nc3nonc3nc2Nc4cccc(F)c4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B16 compound treatment 0.353 0.003 1.0 0.35 0.0 -1.0 -1.0 -1.0 1338300 ChemDiv1_005670 Fc1ccc(Nc2nc(nc3ccccc23)c4ccncc4)cc1F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B17 compound treatment 0.341 -0.009 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1972969 ChemDiv1_005671 CCC(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B18 compound treatment 0.341 -0.009 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1671762 ChemDiv1_005672 CCOC(=O)CSc1nc2-c3ccccc3CC4(CCCCC4)c2c(=O)n1c5ccccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B19 compound treatment 0.345 -0.005 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1684053 ChemDiv1_005673 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3cccc(OC(=O)c4ccco4)c3)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B20 compound treatment 0.34 -0.01 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1478373 ChemDiv1_005674 COc1cccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B21 compound treatment 0.348 -0.002 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972970 ChemDiv1_005675 CCS(=O)(=O)c1ccc2nc(SCc3ccccc3Cl)oc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B22 compound treatment 0.334 -0.016 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972971 ChemDiv1_005676 CC(C)N1C(=O)/C(=C\c2nc3ccccc3c(=O)n2c4ccc(cc4)[N+](=O)[O-])/c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 B24 positive control 0.079 -0.271 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C01 compound treatment 0.363 0.013 1.0 0.36 0.01 1.0 -1.0 -1.0 1972972 ChemDiv1_005677 Cc1nn(CC(=O)Nn2c(nc3ccccc3c2=O)c4ccc(F)cc4)c(C)c1[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C02 compound treatment 0.337 -0.013 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1559918 ChemDiv1_005678 CCCCN(CN1C(=O)C2C3CC(C=C3)C2C1=O)CN4C(=O)C5C6CC(C=C6)C5C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C03 compound treatment 0.341 -0.009 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1334069 ChemDiv1_005679 CC(C)(C)c1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)C4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C04 compound treatment 0.34 -0.01 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1972973 ChemDiv1_005680 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(o3)c4ccccc4Cl)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C05 compound treatment 0.328 -0.022 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1950530 ChemDiv1_005681 CCOC(=O)c1c(C)c(sc1NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)Nc3ccc(OC)cc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C06 compound treatment 0.358 0.008 1.0 0.35 0.0 -1.0 -1.0 -1.0 1170129 ChemDiv1_005682 O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N4CCCC4)cc2s1)NC5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C07 compound treatment 0.339 -0.011 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1318531 ChemDiv1_005683 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(OC)cc2)C(=O)Nc3ccc(C)c(Cl)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C08 compound treatment 0.345 -0.005 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1972974 ChemDiv1_005684 COc1cc(cc(Br)c1OC)C2C(=C(N)OC3=C2C(=O)CCC3)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C09 compound treatment 0.343 -0.007 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972975 ChemDiv1_005685 CCOc1ccccc1N2C(=O)C3C(C4CCC3C=C4)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C10 compound treatment 0.35 0.0 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1721036 ChemDiv1_005686 COc1cc(ccc1OC(=O)N2CCOCC2)C3C(=C(N)OC4=C3C(=O)CCC4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C11 compound treatment 0.331 -0.019 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1972976 ChemDiv1_005687 CCCC/1=NN(C(=O)\C1=C(\C)/Nc2cc(Cl)ccc2O)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C12 compound treatment 0.379 0.029 1.0 0.353 0.003 1.0 -1.0 -1.0 1685915 ChemDiv1_005688 CCOc1cc(ccc1OC(=O)N2CCOCC2)C3C(=C(N)Oc4[nH]nc(c34)C(C)(C)C)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C13 compound treatment 0.328 -0.022 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1972977 ChemDiv1_005689 CN(C)c1ccc(/C=C/2\Sc3c(ccc4ccccc34)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C14 compound treatment 0.349 -0.001 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1972978 ChemDiv1_005690 CCC1C(=O)N=C(SCC(=O)Nc2ccc(C)cc2)N(C1=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C15 compound treatment 0.358 0.008 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1946889 ChemDiv1_005691 COc1ccc2[nH]c(SCC(=O)Nc3ccc4C(=O)c5ccccc5C(=O)c4c3)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C16 compound treatment 0.316 -0.034 -1.0 0.299 -0.051 -1.0 -1.0 -1.0 1704015 ChemDiv1_005692 Oc1ccc(cc1O)C(=O)CSc2nc(ccc2C#N)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C17 compound treatment 0.339 -0.011 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972979 ChemDiv1_005693 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cccc(C)c3)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C18 compound treatment 0.333 -0.017 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1511119 ChemDiv1_005694 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)c2ccc(Cl)cc2)C(=O)OC(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C19 compound treatment 0.337 -0.013 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1972980 ChemDiv1_005695 CCCc1n[nH]c2OC(=C(C#N)C(c12)c3ccc(cc3)C4C(=C(N)Oc5[nH]nc(CCC)c45)C#N)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C20 compound treatment 0.325 -0.025 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1972981 ChemDiv1_005696 COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C21 compound treatment 0.34 -0.01 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1741305 ChemDiv1_005697 Cc1c(Nc2nc3nonc3nc2Nc4ccc(C)cc4C)c(=O)n(c5ccccc5)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C22 compound treatment 0.333 -0.017 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1972982 ChemDiv1_005698 COc1ccc(cc1)N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 C24 positive control 0.082 -0.268 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D01 compound treatment 0.411 0.061 1.0 0.416 0.066 1.0 -1.0 -1.0 1706606 ChemDiv1_005699 NC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)sc4CCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D02 compound treatment 0.325 -0.025 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1364384 ChemDiv1_005700 Cc1cccc(Nc2nc(NCc3ccco3)nc(n2)N4CCOCC4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D03 compound treatment 0.336 -0.014 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1637238 ChemDiv1_005701 Clc1cc(nc(n1)N2CCOCC2)N3CCOCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D04 compound treatment 0.343 -0.007 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1972983 ChemDiv1_005702 Clc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(Br)cc3)CC2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D05 compound treatment 0.358 0.008 1.0 0.352 0.002 1.0 -1.0 -1.0 1231438 ChemDiv1_005703 CCOc1ccc(NC(=O)c2sc3nc(N)c(C#N)c(c4ccc(OC)c(OC)c4)c3c2N)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D06 compound treatment 0.356 0.006 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1972984 ChemDiv1_005704 [O-][N+](=O)c1ccccc1NC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D07 compound treatment 0.334 -0.016 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972985 ChemDiv1_005705 CC1SC2(N(C1=O)c3ccc(Br)cc3)C(=O)Nc4ccccc42 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D08 compound treatment 0.343 -0.007 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972986 ChemDiv1_005706 FC(F)(F)c1oc2cc(OC(=O)c3ccco3)ccc2c(=O)c1Oc4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D09 compound treatment 0.349 -0.001 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1972987 ChemDiv1_005707 COc1cc(OC)c(cc1OC)C2C(=C(N)Oc3[nH]nc(c23)c4ccc(cc4)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D10 compound treatment 0.334 -0.016 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1171304 ChemDiv1_005708 CCOC(=O)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D11 compound treatment 0.343 -0.007 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1397851 ChemDiv1_005709 CSc1nc2ccccc2n1CC(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D12 compound treatment 0.348 -0.002 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1924036 ChemDiv1_005710 CCc1ccc(/C=C/2\N(C(=O)C)C(=O)NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D13 compound treatment 0.41 0.06 1.0 0.383 0.033 1.0 -1.0 -1.0 1666837 ChemDiv1_005711 Cc1ccc(cc1)C(=O)c2oc3ccccc3c2N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D14 compound treatment 0.342 -0.008 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1784510 ChemDiv1_005712 CCOC(=O)COn1c(=O)c(C)[n+]([O-])c2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D15 compound treatment 0.341 -0.009 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1397390 ChemDiv1_005713 Cc1ccc(Nc2nc3nonc3nc2N4CCCCC4)cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D16 compound treatment 0.333 -0.017 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1589310 ChemDiv1_005714 CN1CCN(CC1)c2nc(nc3ccccc23)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D17 compound treatment 0.317 -0.033 -1.0 0.284 -0.066 -1.0 -1.0 -1.0 1972988 ChemDiv1_005715 CC(C)(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D18 compound treatment 0.329 -0.021 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1386024 ChemDiv1_005716 COc1ccccc1n2c(SC)nc3-c4ccccc4CC5(CCCCC5)c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D19 compound treatment 0.324 -0.026 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1282415 ChemDiv1_005717 NC1=C(C#N)C2(C(=O)N(C(=O)c3ccccc3Cl)c4ccccc42)C5=C(CCCC5=O)O1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D20 compound treatment 0.328 -0.022 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1572075 ChemDiv1_005718 CCOC(=O)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D21 compound treatment 0.393 0.043 1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972989 ChemDiv1_005719 CCOc1c(OC)cc(/C=C/2\C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)N)C)cc1[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D22 compound treatment 0.332 -0.018 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1972990 ChemDiv1_005720 CCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2c4ccccc4[N+](=O)[O-])/c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 D24 positive control 0.083 -0.267 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E01 compound treatment 0.361 0.011 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1331756 ChemDiv1_005721 Fc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)C4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E02 compound treatment 0.333 -0.017 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1972991 ChemDiv1_005722 CCCCSc1nc2-c3ccccc3CC4(CCCCC4)c2c(=O)[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E03 compound treatment 0.316 -0.034 -1.0 0.303 -0.047 -1.0 -1.0 -1.0 1972992 ChemDiv1_005723 CCCCOc1ccc(cc1)C(=O)On2c(C)nc3ccccc3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E04 compound treatment 0.331 -0.019 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1159523 ChemDiv1_005724 CCn1c(NC(=O)c2cccs2)nc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E05 compound treatment 0.338 -0.012 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1381269 ChemDiv1_005725 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(F)c2)C(=O)Nc3ccc(OC)cc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E06 compound treatment 0.338 -0.012 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1972993 ChemDiv1_005726 [O-][N+](=O)c1ccc2C(=O)N(C(=O)c2c1)c3ccc4nc(SCC(=O)NCC5CCCO5)sc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E07 compound treatment 0.341 -0.009 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1304345 ChemDiv1_005727 CCOC(=O)c1c(C)c(sc1NC(=O)C2(CC3CC4CC(C3)C2)C4)C(=O)Nc5ccc(OC)cc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E08 compound treatment 0.346 -0.004 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1972994 ChemDiv1_005728 CCCc1n[nH]c2OC(=C(C#N)C(c12)c3ccc(OC(=O)N4CCOCC4)cc3)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E09 compound treatment 0.33 -0.02 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1972995 ChemDiv1_005729 CCC(=O)OC1=C(C)C2C3C(C(=O)N(C3=O)c4ccc(F)cc4)C1(C)C5C2C(=O)N(C5=O)c6ccc(F)cc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E10 compound treatment 0.353 0.003 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1151783 ChemDiv1_005730 NC1=C(C#N)C(C2=C(CCCC2=O)O1)c3ccccc3OC(=O)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E11 compound treatment 0.338 -0.012 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1972996 ChemDiv1_005731 CCCC/1=NN(C(=O)\C1=C(/C)\Nc2cccc(F)c2)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E12 compound treatment 0.328 -0.022 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1972997 ChemDiv1_005732 Cc1n[nH]c2OC(=C(C#N)C3(C(=O)N(C(=O)c4ccccc4)c5ccccc53)c12)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E13 compound treatment 0.339 -0.011 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1972998 ChemDiv1_005733 [O-][N+](=O)c1csc(NC(=O)c2cc3ccccc3o2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E14 compound treatment 0.339 -0.011 -1.0 0.306 -0.044 -1.0 -1.0 -1.0 1972999 ChemDiv1_005734 CC(C)Cc1c(C#N)c(N)nc(SCC(=O)c2cc3cc(Br)ccc3oc2=O)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E15 compound treatment 0.323 -0.027 -1.0 0.304 -0.046 -1.0 -1.0 -1.0 1690001 ChemDiv1_005735 Cc1ccc2cccc(SCc3nc(N)nc(Nc4ccccc4)n3)c2n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E16 compound treatment 0.329 -0.021 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1973000 ChemDiv1_005736 O=C1NC(=C(C#N)C2(CCCCC2)C1C#N)SCCCCSC3=C(C#N)C4(CCCCC4)C(C#N)C(=O)N3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E17 compound treatment 0.336 -0.014 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1973001 ChemDiv1_005737 COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E18 compound treatment 0.315 -0.035 -1.0 0.31 -0.04 -1.0 -1.0 -1.0 1544101 ChemDiv1_005738 CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)Nc2ccc(Br)cc2)C#N)c3ccccc3OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E19 compound treatment 0.319 -0.031 -1.0 0.299 -0.051 -1.0 -1.0 -1.0 1973002 ChemDiv1_005739 CCCCNc1nc(Nc2ccc(Cl)cc2)nc(n1)N3CCOCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E20 compound treatment 0.328 -0.022 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1973003 ChemDiv1_005740 COc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E21 compound treatment 0.341 -0.009 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1274934 ChemDiv1_005741 Cc1nccn1c2nc3nonc3nc2Nc4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E22 compound treatment 0.324 -0.026 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1973004 ChemDiv1_005742 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 E24 positive control 0.085 -0.265 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F01 compound treatment 0.402 0.052 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1487742 ChemDiv1_005743 NC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F02 compound treatment 0.339 -0.011 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1154675 ChemDiv1_005744 CCc1nnc(SCC(=O)Nc2nncs2)[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F03 compound treatment 0.344 -0.006 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1392623 ChemDiv1_005745 CCCC(=O)Oc1ccc(cc1)C2C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F04 compound treatment 0.335 -0.015 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1524851 ChemDiv1_005746 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccccc3OC(=O)c4ccccc4Cl)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F05 compound treatment 0.356 0.006 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1689008 ChemDiv1_005747 COC(=O)C1C(C(=C(NC1=O)SCC(=O)Nc2ccccc2C)C#N)c3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F06 compound treatment 0.367 0.017 1.0 0.354 0.004 1.0 -1.0 -1.0 1923569 ChemDiv1_005748 OCCN(C(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)/SC1=S)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F07 compound treatment 0.37 0.02 1.0 0.361 0.011 1.0 -1.0 -1.0 1973005 ChemDiv1_005749 CN1C(=O)N(C)C(=O)C(=Cc2ccc(N3CCN(CC3)C(=O)c4ccccc4)c(c2)[N+](=O)[O-])C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F08 compound treatment 0.331 -0.019 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1973006 ChemDiv1_005750 CCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3Br)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F09 compound treatment 0.34 -0.01 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1973007 ChemDiv1_005751 COc1ccc(cc1OC)c2n[nH]c3OC(=C(C#N)C(c23)c4ccc(cc4)[N+](=O)[O-])N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F10 compound treatment 0.327 -0.023 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1312514 ChemDiv1_005752 Brc1ccc2ncnc(NCCN3CCOCC3)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F11 compound treatment 0.342 -0.008 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1261546 ChemDiv1_005753 Cn1c(Sc2ncnn2CC(=O)NC(C)(C)C)nc3n(C)c(=O)n(C)c(=O)c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F12 compound treatment 0.361 0.011 1.0 0.332 -0.018 -1.0 -1.0 -1.0 1784110 ChemDiv1_005754 NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3ccccc3)/C=C/c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F13 compound treatment 0.337 -0.013 -1.0 0.307 -0.043 -1.0 -1.0 -1.0 1973008 ChemDiv1_005755 CCN(CC)CCCC(C)N/C(=C/1\C(=O)NC(=O)N(C1=O)c2ccc(OC)cc2)/CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F14 compound treatment 0.342 -0.008 -1.0 0.298 -0.052 -1.0 -1.0 -1.0 1784511 ChemDiv1_005756 [O-][n+]1cc(=O)n(OCc2ccccc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F15 compound treatment 0.345 -0.005 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1118666 ChemDiv1_005757 CC1CC(C)CN(C1)c2nc3nonc3nc2Nc4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F16 compound treatment 0.323 -0.027 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1483149 ChemDiv1_005758 COC(=O)CCNc1nc(nc2ccccc12)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F17 compound treatment 0.299 -0.051 -1.0 0.303 -0.047 -1.0 -1.0 -1.0 1973009 ChemDiv1_005759 CC(C)OC(=O)CSc1nc2CCCc2c(C3CCC=CC3)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F18 compound treatment 0.337 -0.013 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1973010 ChemDiv1_005760 COC(=O)c1ccc(cc1)C2C(=C(N)Oc3[nH]nc(c23)c4cc(OC)c(OC)c(OC)c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F19 compound treatment 0.351 0.001 1.0 0.341 -0.009 -1.0 -1.0 -1.0 1973011 ChemDiv1_005761 COc1cc(cc(OC)c1OC(=O)N2CCOCC2)C3C(=C(N)Oc4[nH]nc(c34)c5cccc(c5)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F20 compound treatment 0.339 -0.011 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1367796 ChemDiv1_005762 CCCOC(=O)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F21 compound treatment 0.348 -0.002 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1523650 ChemDiv1_005763 Nc1nc2nonc2nc1N3CCCCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F22 compound treatment 0.336 -0.014 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1935860 ChemDiv1_005764 CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2c4ccccc4[N+](=O)[O-])/c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 F24 positive control 0.085 -0.265 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G01 compound treatment 0.371 0.021 1.0 0.362 0.012 1.0 -1.0 -1.0 1973012 ChemDiv1_005765 Cc1cc(nn1CC(=O)Nn2c(nc3ccccc3c2=O)c4ccccc4F)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G02 compound treatment 0.376 0.026 1.0 0.361 0.011 1.0 -1.0 -1.0 1973013 ChemDiv1_005766 COc1cccc(c1)n2c(/C=C/3\C(=O)N(C(C)C)c4ccccc34)nc5ccccc5c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G03 compound treatment 0.342 -0.008 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1612220 ChemDiv1_005767 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)COc4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G04 compound treatment 0.371 0.021 1.0 0.356 0.006 1.0 -1.0 -1.0 1973014 ChemDiv1_005768 CC(=O)Nc1nc2cc(C)c(C)cc2[nH]1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G05 compound treatment 0.377 0.027 1.0 0.366 0.016 1.0 -1.0 -1.0 1973015 ChemDiv1_005769 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cccc(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G06 compound treatment 0.386 0.036 1.0 0.365 0.015 1.0 -1.0 -1.0 1973016 ChemDiv1_005770 COC(=O)c1ccccc1NC(=O)CSc2nc3ccc(cc3s2)N4C(=O)c5ccc(cc5C4=O)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G07 compound treatment 0.392 0.042 1.0 0.379 0.029 1.0 -1.0 -1.0 1950457 ChemDiv1_005771 CCOc1cc(cc([N+](=O)[O-])c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G08 compound treatment 0.348 -0.002 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1131464 ChemDiv1_005772 Cn1c(=O)n(C)c2ncn(CC(=O)Nc3ccccc3)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G09 compound treatment 0.354 0.004 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973017 ChemDiv1_005773 CCC(=O)OC1=C(C)C2C3C(C(=O)N(C3=O)c4ccccc4F)C1(C)C5C2C(=O)N(C5=O)c6ccccc6F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G10 compound treatment 0.347 -0.003 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1155684 ChemDiv1_005774 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccccc3OC(=O)N4CCOCC4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G11 compound treatment 0.34 -0.01 -1.0 0.323 -0.027 -1.0 -1.0 -1.0 1973018 ChemDiv1_005775 CCCN/C(=C\1/C(=O)N(N=C1CCC)c2nc3ccccc3s2)/C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G12 compound treatment 0.356 0.006 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1289583 ChemDiv1_005776 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(OC(=O)c4ccccc4Cl)cc3)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G13 compound treatment 0.363 0.013 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973019 ChemDiv1_005777 O=C1/C(=C/2\Sc3ccccc3C2=O)/Nc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G14 compound treatment 0.323 -0.027 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1973020 ChemDiv1_005778 CCOC(=O)C1=C(N)OC2=C(C1C3CCCCC3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G15 compound treatment 0.342 -0.008 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1973021 ChemDiv1_005779 O=C(NCCc1ccc(cc1)S(=O)(=O)N2CCCCC2)c3ccc4C(=O)c5ccccc5C(=O)c4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G16 compound treatment 0.324 -0.026 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1256563 ChemDiv1_005780 CC(=Cc1ccc(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)n1)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G17 compound treatment 0.339 -0.011 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1973022 ChemDiv1_005781 COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G18 compound treatment 0.339 -0.011 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1121954 ChemDiv1_005782 CSC1=C(C#N)C(C(=C(C)N1)C(=O)OC(C)(C)C)c2ccc(Cl)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G19 compound treatment 0.331 -0.019 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1742540 ChemDiv1_005783 C1CN(CCO1)c2nc(Nc3ccccc3)nc(Nc4ccccc4)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G20 compound treatment 0.314 -0.036 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1973023 ChemDiv1_005784 COc1cccc(c1)N2C(=O)/C(=C/c3c(OC)ccc4ccccc34)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G21 compound treatment 0.339 -0.011 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1704844 ChemDiv1_005785 C1CCN(C1)c2nc3nonc3nc2N4CCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G22 compound treatment 0.33 -0.02 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1973024 ChemDiv1_005786 CC1C(=O)N(C(c2ccc(Br)cc2)S1(=O)=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 G24 positive control 0.085 -0.265 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H01 compound treatment 0.385 0.035 1.0 0.386 0.036 1.0 -1.0 -1.0 1973025 ChemDiv1_005787 CCOc1ccc(cc1)N2C(=O)/C(=C/c3ccc(Br)cc3)/NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H02 compound treatment 0.345 -0.005 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973026 ChemDiv1_005788 CCn1c(SCc2nc3ccc(cc3[nH]2)[N+](=O)[O-])nc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H03 compound treatment 0.39 0.04 1.0 0.387 0.037 1.0 -1.0 -1.0 1973027 ChemDiv1_005789 COc1ccc(cc1)C(=O)CSc2nc(N)c(C#N)c(C3CCCCC3)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H04 compound treatment 0.361 0.011 1.0 0.355 0.005 1.0 -1.0 -1.0 1973028 ChemDiv1_005790 NC1=C(C#N)C(C2=C(CCCC2=O)O1)c3ccc(N4CCOCC4)c(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H05 compound treatment 0.357 0.007 1.0 0.332 -0.018 -1.0 -1.0 -1.0 1784759 ChemDiv1_005791 CCOc1ccc(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c3ccc(cc3)[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H06 compound treatment 0.36 0.01 1.0 0.364 0.014 1.0 -1.0 -1.0 1973029 ChemDiv1_005792 CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)/SC2=S)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H07 compound treatment 0.339 -0.011 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1973030 ChemDiv1_005793 Cc1c(NC(=O)CSc2nc[nH]n2)c(=O)n(c3ccccc3)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H08 compound treatment 0.379 0.029 1.0 0.357 0.007 1.0 -1.0 -1.0 1941426 ChemDiv1_005794 CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Br)c(oc23)C(F)(F)F)CC1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H09 compound treatment 0.372 0.022 1.0 0.373 0.023 1.0 -1.0 -1.0 1973031 ChemDiv1_005795 COc1ccc(OC)c(c1)C2C(=C(N)Oc3[nH]nc(c23)c4ccc(cc4)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H10 compound treatment 0.361 0.011 1.0 0.352 0.002 1.0 -1.0 -1.0 1617513 ChemDiv1_005796 CSCCC(Nc1ncnc2ccc(Br)cc12)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H11 compound treatment 0.328 -0.022 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1205726 ChemDiv1_005797 CCN(CC)CCn1c(NC(=O)COc2c(F)c(F)cc(F)c2F)nc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H12 compound treatment 0.409 0.059 1.0 0.399 0.049 1.0 -1.0 -1.0 1425860 ChemDiv1_005798 CN(C)c1ccc(C=c2sc3=NC(=C(C(c4ccc(C)o4)n3c2=O)C(=O)Nc5ccccc5)C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H13 compound treatment 0.351 0.001 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973032 ChemDiv1_005799 [O-][N+](=O)c1ccc(cc1)C(C2C(=O)NC(=S)N(C2=O)c3ccccc3)C4C(=O)NC(=S)N(C4=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H14 compound treatment 0.347 -0.003 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973033 ChemDiv1_005800 CCOn1c(=O)c[n+]([O-])c2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H15 compound treatment 0.388 0.038 1.0 0.376 0.026 1.0 -1.0 -1.0 1589086 ChemDiv1_005801 C1Oc2ccc(Nc3nc4nonc4nc3N5CCOCC5)cc2O1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H16 compound treatment 0.34 -0.01 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1973034 ChemDiv1_005802 O=C(CN1C(=O)C2CCC(=O)CC2C1=O)N3CCCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H17 compound treatment 0.34 -0.01 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1973035 ChemDiv1_005803 Nc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)c(C#N)c(c4ccco4)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H18 compound treatment 0.343 -0.007 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1973036 ChemDiv1_005804 COC(=O)c1ccc(cc1)C2C(=C(N)Oc3[nH]nc(c23)c4cccc(c4)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H19 compound treatment 0.32 -0.03 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1973037 ChemDiv1_005805 COc1ccc(cc1OC)c2n[nH]c3OC(=C(C#N)C4(C(=O)Nc5ccc(Br)cc54)c23)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H20 compound treatment 0.34 -0.01 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1335779 ChemDiv1_005806 Cn1c(=O)n(C)c2ncn(CC(=O)Nc3ccc(OCc4ccccc4)cc3)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H21 compound treatment 0.336 -0.014 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1180045 ChemDiv1_005807 COc1ccc(Cl)cc1Nc2nc3nonc3nc2Nc4cc(Cl)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H22 compound treatment 0.341 -0.009 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973038 ChemDiv1_005808 COc1ccccc1n2c(/C=C/3\C(=O)N(C)c4ccc(Br)cc34)nc5ccccc5c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 H24 positive control 0.085 -0.265 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I01 compound treatment 0.404 0.054 1.0 0.405 0.055 1.0 -1.0 -1.0 1973039 ChemDiv1_005809 COc1cc(/C=C\C(=O)Nn2c(nc3ccccc3c2=O)c4cccc(Cl)c4)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I02 compound treatment 0.371 0.021 1.0 0.372 0.022 1.0 -1.0 -1.0 1973040 ChemDiv1_005810 COc1cccc(c1)n2c(/C=C/3\C(=O)N(C)c4ccc(Br)cc34)nc5ccccc5c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I03 compound treatment 0.349 -0.001 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1516615 ChemDiv1_005811 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)c4ccc(Cl)cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I04 compound treatment 0.347 -0.003 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1724015 ChemDiv1_005812 CCN(CC)CCNc1nc2nonc2nc1NCCN(CC)CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I05 compound treatment 0.411 0.061 1.0 0.389 0.039 1.0 -1.0 -1.0 1950576 ChemDiv1_005813 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(cc5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I06 compound treatment 0.341 -0.009 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1453232 ChemDiv1_005814 CCn1c(SCC(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)nc4n(C)c(=O)n(C)c(=O)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I07 compound treatment 0.35 0.0 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1382081 ChemDiv1_005815 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(OC)cc2)C(=O)Nc3cccc(Cl)c3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I08 compound treatment 0.339 -0.011 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1407405 ChemDiv1_005816 Cn1c(=O)n(C)c2ncn(CC(=O)NCc3ccccc3)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I09 compound treatment 0.346 -0.004 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1973041 ChemDiv1_005817 CCOC(=O)C1=C(C)C2C3C(C(=O)N(C3=O)c4ccccc4C)C1(C)C5C2C(=O)N(C5=O)c6ccccc6C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I10 compound treatment 0.366 0.016 1.0 0.356 0.006 1.0 -1.0 -1.0 1604905 ChemDiv1_005818 COc1cc(ccc1OC(=O)N2CCOCC2)C3C(=C(N)OC4=C3C(=O)CC(C)(C)C4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I11 compound treatment 0.355 0.005 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1973042 ChemDiv1_005819 CCCC/1=NN(C(=O)\C1=C(\C)/N2CCOCC2)c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I12 compound treatment 0.351 0.001 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1973043 ChemDiv1_005820 Cn1cnnc1SCC(=O)NC2=NCCS2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I13 compound treatment 0.344 -0.006 -1.0 0.363 0.013 1.0 -1.0 -1.0 1528228 ChemDiv1_005821 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cccc(OCC(=O)N5CCCCC5)c4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I14 compound treatment 0.37 0.02 1.0 0.354 0.004 1.0 -1.0 -1.0 1948361 ChemDiv1_005822 COc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)c3ccc(O)c(O)c3)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I15 compound treatment 0.298 -0.052 -1.0 0.304 -0.046 -1.0 -1.0 -1.0 1618722 ChemDiv1_005823 COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(n2)N4CCNCC4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I16 compound treatment 0.328 -0.022 -1.0 0.314 -0.036 -1.0 -1.0 -1.0 1187099 ChemDiv1_005824 CCOc1cc(ccc1O)C2CC(=O)NC(=C2C#N)SCc3cccc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I17 compound treatment 0.35 0.0 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973044 ChemDiv1_005825 COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc4OCOc4cc3[N+](=O)[O-])/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I18 compound treatment 0.299 -0.051 -1.0 0.28 -0.07 -1.0 -1.0 -1.0 1351712 ChemDiv1_005826 CCOC(=O)C1=C(C)NC(=C(C#N)C1CC(C)C)SCC(=O)c2ccccc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I19 compound treatment 0.358 0.008 1.0 0.36 0.01 1.0 -1.0 -1.0 1973045 ChemDiv1_005827 COc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I20 compound treatment 0.317 -0.033 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1973046 ChemDiv1_005828 COc1cccc(c1)N2C(=O)/C(=C/c3ccc(OC)c4ccccc34)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I21 compound treatment 0.343 -0.007 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973047 ChemDiv1_005829 CCc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)C(=O)c3ccco3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I22 compound treatment 0.336 -0.014 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1661310 ChemDiv1_005830 CC1CCN(CN2C(=O)C3(SCC(=O)N3c4ccc(C)c(C)c4)c5ccccc25)CC1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 I24 positive control 0.087 -0.263 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J01 compound treatment 0.376 0.026 1.0 0.366 0.016 1.0 -1.0 -1.0 1973048 ChemDiv1_005831 CN1C(=O)N(C)C(=O)C(=Cc2ccc(N3CCc4ccccc4C3)c(c2)[N+](=O)[O-])C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J02 compound treatment 0.347 -0.003 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1264957 ChemDiv1_005832 Cn1c(SCc2nc3ccccc3n2CC(=O)N)nc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J03 compound treatment 0.326 -0.024 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1384870 ChemDiv1_005833 Nc1nc(SCc2ccccc2)c(C#N)c(c1C#N)c3ccc(O)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J04 compound treatment 0.372 0.022 1.0 0.365 0.015 1.0 -1.0 -1.0 1973049 ChemDiv1_005834 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(N4CCOCC4)c(c3)[N+](=O)[O-])N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J05 compound treatment 0.344 -0.006 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1784758 ChemDiv1_005835 Cc1c(Cl)cccc1NC(=O)CSC2=C(C#N)C(CC(=O)N2)c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J06 compound treatment 0.359 0.009 1.0 0.37 0.02 1.0 -1.0 -1.0 1973050 ChemDiv1_005836 CCOc1ccccc1NC(=O)CN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J07 compound treatment 0.343 -0.007 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1144035 ChemDiv1_005837 COc1cc(cc(OC)c1OC)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J08 compound treatment 0.348 -0.002 -1.0 0.353 0.003 1.0 -1.0 -1.0 1950341 ChemDiv1_005838 CC1CN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Br)c(oc23)C(F)(F)F)CC(C)O1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J09 compound treatment 0.35 0.0 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973051 ChemDiv1_005839 CC(C)Nc1nc(Cl)nc(Nc2cccc(c2)C(F)(F)F)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J10 compound treatment 0.344 -0.006 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1926396 ChemDiv1_005840 COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J11 compound treatment 0.36 0.01 1.0 0.359 0.009 1.0 -1.0 -1.0 1632333 ChemDiv1_005841 Cc1cccc(NC(=O)CSc2nc3CCCCCc3cc2C#N)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J12 compound treatment 0.563 0.213 1.0 0.551 0.201 1.0 -1.0 -1.0 1944129 ChemDiv1_005842 On1c(=O)c(c2ccccc2)[n+]([O-])c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J13 compound treatment 0.343 -0.007 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973052 ChemDiv1_005843 [O-][N+](=O)c1cccc(c1)C(C2C(=O)NC(=S)N(CC=C)C2=O)C3C(=O)NC(=S)N(CC=C)C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J14 compound treatment 0.352 0.002 1.0 0.35 0.0 -1.0 -1.0 -1.0 1784512 ChemDiv1_005844 CCOn1c(=O)c(C)[n+]([O-])c2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J15 compound treatment 0.33 -0.02 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1344280 ChemDiv1_005845 Cc1ccc(Nc2nc3nonc3nc2NC(C)(C)C)cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J16 compound treatment 0.326 -0.024 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1561938 ChemDiv1_005846 NC(=O)CSc1nc2-c3ccccc3CC4(CCCC4)c2c(=O)n1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J17 compound treatment 0.346 -0.004 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1973053 ChemDiv1_005847 Nc1nc(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])c(C#N)c(c3ccco3)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J18 compound treatment 0.359 0.009 1.0 0.356 0.006 1.0 -1.0 -1.0 1973054 ChemDiv1_005848 COC(=O)c1ccc(cc1)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5OCOc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J19 compound treatment 0.351 0.001 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1973055 ChemDiv1_005849 COc1cc(cc(OC)c1OC(=O)C)C2C(=C(N)Oc3[nH]nc(c23)C(C)(C)C)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J20 compound treatment 0.344 -0.006 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1235295 ChemDiv1_005850 Cn1c(=O)n(C)c2ncn(CC(=O)Nc3ccc(Cl)cc3)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J21 compound treatment 0.585 0.235 1.0 0.541 0.191 1.0 -1.0 -1.0 1973056 ChemDiv1_005851 CC/N=C/1\S/C(=C/c2ccc(o2)c3ccc(Cl)cc3C(=O)O)/C(=O)N1CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J22 compound treatment 0.345 -0.005 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1143276 ChemDiv1_005852 Cc1ccc2NC(=O)C(O)(C3COC(C)(C)CC3=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 J24 positive control 0.086 -0.264 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K01 compound treatment 0.357 0.007 1.0 0.356 0.006 1.0 -1.0 -1.0 1973057 ChemDiv1_005853 Cc1c(Br)c(nn1CC(=O)Nn2c(nc3ccccc3c2=O)c4ccc(F)cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K02 compound treatment 0.389 0.039 1.0 0.371 0.021 1.0 -1.0 -1.0 1973058 ChemDiv1_005854 O=C1C2CC=CCC2C(=O)N1c3ccc(cc3)c4nc5cc(ccc5[nH]4)N6C(=O)C7CC=CCC7C6=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K03 compound treatment 0.335 -0.015 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1973059 ChemDiv1_005855 COc1cccc(c1)c2nc3ccccc3c(=O)n2NC(=O)Cn4nc([N+](=O)[O-])c(Cl)c4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K04 compound treatment 0.35 0.0 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1396082 ChemDiv1_005856 C(Nc1nc2nonc2nc1NCc3ccco3)c4ccco4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K05 compound treatment 0.405 0.055 1.0 0.365 0.015 1.0 -1.0 -1.0 1223920 ChemDiv1_005857 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccccc5OC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K06 compound treatment 0.341 -0.009 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1672960 ChemDiv1_005858 O=C1c2ccccc2-c3nn(c4ccccc4)c(=O)c5ccc(N6CCCCC6)c1c35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K07 compound treatment 0.372 0.022 1.0 0.379 0.029 1.0 -1.0 -1.0 1226654 ChemDiv1_005859 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCc3ccc(C)cc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K08 compound treatment 0.348 -0.002 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1928106 ChemDiv1_005860 Brc1ccc(cc1)C(=O)CSc2nnc[nH]2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K09 compound treatment 0.361 0.011 1.0 0.324 -0.026 -1.0 -1.0 -1.0 1973060 ChemDiv1_005861 CCOC(=O)C1=C(C)C2C3C(C(=O)N(C3=O)c4ccccc4F)C1(C)C5C2C(=O)N(C5=O)c6ccccc6F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K10 compound treatment 0.369 0.019 1.0 0.367 0.017 1.0 -1.0 -1.0 1583509 ChemDiv1_005862 NC1=C(C#N)C(C2=C(CCCC2=O)O1)c3ccc(OC(=O)N4CCOCC4)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K11 compound treatment 0.376 0.026 1.0 0.384 0.034 1.0 -1.0 -1.0 1973061 ChemDiv1_005863 COc1ccc(cc1)C2CC(=NN2c3ccccc3)c4c(C)cc(C)[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K12 compound treatment 0.364 0.014 1.0 0.354 0.004 1.0 -1.0 -1.0 1320014 ChemDiv1_005864 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3cc(Cl)cc(Cl)c3OC(=O)N4CCOCC4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K13 compound treatment 0.363 0.013 1.0 0.367 0.017 1.0 -1.0 -1.0 1473664 ChemDiv1_005865 CCN(c1ccccc1)c2nc3nonc3nc2NCCO 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K14 compound treatment 0.368 0.018 1.0 0.373 0.023 1.0 -1.0 -1.0 1742549 ChemDiv1_005866 CC(C)c1ccc(cc1)c2c(C#N)c(N)nc(SC3CCCCC3=O)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K15 compound treatment 0.337 -0.013 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1455489 ChemDiv1_005867 CC(Nc1nc2nonc2nc1N3CCCC3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K16 compound treatment 0.351 0.001 1.0 0.332 -0.018 -1.0 -1.0 -1.0 1396915 ChemDiv1_005868 CCOc1ccccc1C2CC(=O)NC(=C2C#N)SCc3cccc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K17 compound treatment 0.36 0.01 1.0 0.352 0.002 1.0 -1.0 -1.0 1973062 ChemDiv1_005869 COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K18 compound treatment 0.321 -0.029 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1973063 ChemDiv1_005870 COc1cc(ccc1OCc2ccccc2)C3CC(=O)NC(=C3C#N)SCC(=O)Nc4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K19 compound treatment 0.338 -0.012 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1973064 ChemDiv1_005871 COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OC)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K20 compound treatment 0.338 -0.012 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1973065 ChemDiv1_005872 COc1cccc(c1)N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K21 compound treatment 0.339 -0.011 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1420386 ChemDiv1_005873 COc1cc(C=c2sc3nc4ccccc4n3c2=O)c(Br)cc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K22 compound treatment 0.338 -0.012 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1597975 ChemDiv1_005874 O=C(CSc1nc2ccc(cc2s1)N3C(=O)C4C5CC(C=C5)C4C3=O)NC6CCCCC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 K24 positive control 0.09 -0.26 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L01 compound treatment 0.418 0.068 1.0 0.388 0.038 1.0 -1.0 -1.0 1241989 ChemDiv1_005875 CCOc1cc(C=c2sc3nc4c(C)c(C)ccc4n3c2=O)cc(Br)c1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L02 compound treatment 0.342 -0.008 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1973066 ChemDiv1_005876 OCC(O)Cn1c(SCCOc2ccc(Cl)cc2)nc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L03 compound treatment 0.361 0.011 1.0 0.358 0.008 1.0 -1.0 -1.0 1319586 ChemDiv1_005877 CCOc1cc(ccc1O)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3cccc(C)c3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L04 compound treatment 0.352 0.002 1.0 0.373 0.023 1.0 -1.0 -1.0 1564150 ChemDiv1_005878 NC1=C(C#N)C2(C(=O)Nc3ccc(Cl)cc32)c4c(n[nH]c4O1)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L05 compound treatment 0.355 0.005 1.0 0.353 0.003 1.0 -1.0 -1.0 1404796 ChemDiv1_005879 CCOc1cc(ccc1O)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3ccc(C)cc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L06 compound treatment 0.367 0.017 1.0 0.355 0.005 1.0 -1.0 -1.0 1973067 ChemDiv1_005880 COc1cc(/C=C/2\SC(=S)N(CC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L07 compound treatment 0.364 0.014 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1197177 ChemDiv1_005881 Cc1ccc(Nc2nc3nonc3nc2NCCc4ccccc4)cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L08 compound treatment 0.354 0.004 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1941587 ChemDiv1_005882 COc1ccccc1c2c(oc3c(CN4CC(C)OC(C)C4)c(O)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L09 compound treatment 0.384 0.034 1.0 0.365 0.015 1.0 -1.0 -1.0 1973068 ChemDiv1_005883 FC(F)(F)c1cccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L10 compound treatment 0.426 0.076 1.0 0.438 0.088 1.0 -1.0 -1.0 1973069 ChemDiv1_005884 Cc1ccc(Cc2cnc(NC(=O)/C(=C/c3ccc(OCC=C)cc3)/C#N)s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L11 compound treatment 0.355 0.005 1.0 0.376 0.026 1.0 -1.0 -1.0 1604923 ChemDiv1_005885 Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L12 compound treatment 0.364 0.014 1.0 0.359 0.009 1.0 -1.0 -1.0 1925984 ChemDiv1_005886 COn1c(=O)c(c2ccccc2)[n+]([O-])c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L13 compound treatment 0.335 -0.015 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1973070 ChemDiv1_005887 COc1cc(OC)c(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3C)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L14 compound treatment 0.37 0.02 1.0 0.363 0.013 1.0 -1.0 -1.0 1650900 ChemDiv1_005888 Clc1cccc(Nc2nc(nc3ccccc23)c4ccncc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L15 compound treatment 0.384 0.034 1.0 0.377 0.027 1.0 -1.0 -1.0 1416543 ChemDiv1_005889 CN(C)C(=O)Oc1cccc(c1)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L16 compound treatment 0.33 -0.02 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1469233 ChemDiv1_005890 NC(=O)CSc1nc2-c3ccccc3CC4(CCCCC4)c2c(=O)n1C5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L17 compound treatment 0.394 0.044 1.0 0.412 0.062 1.0 -1.0 -1.0 1230289 ChemDiv1_005891 CC(C)c1ccc(cc1)c2c(C#N)c(N)nc3sc(C(=O)Nc4nccs4)c(N)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L18 compound treatment 0.334 -0.016 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1434749 ChemDiv1_005892 COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(nc3ccccc23)c4ccccc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L19 compound treatment 0.34 -0.01 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1973071 ChemDiv1_005893 NC1=C(C#N)C(c2c(n[nH]c2O1)c3cccc(c3)[N+](=O)[O-])c4c(F)cccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L20 compound treatment 0.343 -0.007 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1395410 ChemDiv1_005894 Cc1cc(Br)ccc1NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L21 compound treatment 0.359 0.009 1.0 0.358 0.008 1.0 -1.0 -1.0 1973072 ChemDiv1_005895 COc1ccc(NC(=O)CSc2nc3cc(ccc3[nH]2)[N+](=O)[O-])c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L22 compound treatment 0.335 -0.015 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1636489 ChemDiv1_005896 CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c3cc(C)ccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 L24 positive control 0.089 -0.261 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M01 compound treatment 0.35 0.0 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973073 ChemDiv1_005897 Fc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M02 compound treatment 0.38 0.03 1.0 0.355 0.005 1.0 -1.0 -1.0 1973074 ChemDiv1_005898 Cc1ccc2[nH]c(SCC(=O)Nc3ccc4C(=O)c5ccccc5C(=O)c4c3)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M03 compound treatment 0.328 -0.022 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1348261 ChemDiv1_005899 CCCCc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M04 compound treatment 0.374 0.024 1.0 0.368 0.018 1.0 -1.0 -1.0 1973075 ChemDiv1_005900 CCc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)C(=O)c3ccc(OC)c(OC)c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M05 compound treatment 0.326 -0.024 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1134690 ChemDiv1_005901 CCOC(=O)c1c(C)c(sc1NC(=O)C2(CC3CC4CC(C3)C2)C4)C(=O)Nc5ccccc5C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M06 compound treatment 0.342 -0.008 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973076 ChemDiv1_005902 CCOC(=O)COc1c(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M07 compound treatment 0.338 -0.012 -1.0 0.354 0.004 1.0 -1.0 -1.0 1441546 ChemDiv1_005903 CCOc1cc(ccc1O)C2NC(=O)NC(=C2C(=O)OCc3ccc(OC)cc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M08 compound treatment 0.418 0.068 1.0 0.391 0.041 1.0 -1.0 -1.0 1638225 ChemDiv1_005904 CCOc1cc(ccc1OC(=O)N2CCOCC2)C3C(=C(N)Oc4[nH]nc(C)c34)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M09 compound treatment 0.381 0.031 1.0 0.377 0.027 1.0 -1.0 -1.0 1973077 ChemDiv1_005905 Clc1ccc(SCC/2=NN(C(=O)\C2=C\NCC3CCCO3)c4nc5ccccc5s4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M10 compound treatment 0.349 -0.001 -1.0 0.356 0.006 1.0 -1.0 -1.0 1973078 ChemDiv1_005906 CC(C)(C)c1n[nH]c2OC(=C(C#N)C(c12)c3ccccc3OC(=O)N4CCOCC4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M11 compound treatment 0.362 0.012 1.0 0.36 0.01 1.0 -1.0 -1.0 1973079 ChemDiv1_005907 COc1ccc(cc1)C2CC(=NN2c3ccccc3C)c4c(C)cc(C)[nH]c4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M12 compound treatment 0.386 0.036 1.0 0.403 0.053 1.0 -1.0 -1.0 1489443 ChemDiv1_005908 CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3[nH]2)sc4CN(C)CCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M13 compound treatment 0.363 0.013 1.0 0.361 0.011 1.0 -1.0 -1.0 1973080 ChemDiv1_005909 CCCCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2C)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M14 compound treatment 0.376 0.026 1.0 0.397 0.047 1.0 -1.0 -1.0 1594030 ChemDiv1_005910 Cc1ccccc1NC(=O)c2c(C)nc(SCC(=O)c3ccc(O)c(O)c3)c(C#N)c2c4cccnc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M15 compound treatment 0.322 -0.028 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1973081 ChemDiv1_005911 COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cccc(C)c3)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M16 compound treatment 0.337 -0.013 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1202340 ChemDiv1_005912 CCOc1ccccc1C2C(C#N)C(=O)NC(=C2C#N)SCC(=O)Nc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M17 compound treatment 0.352 0.002 1.0 0.35 0.0 -1.0 -1.0 -1.0 1973082 ChemDiv1_005913 COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3OC)/C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M18 compound treatment 0.329 -0.021 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1654233 ChemDiv1_005914 CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c2ccc(OCc3ccccc3)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M19 compound treatment 0.326 -0.024 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1973083 ChemDiv1_005915 COc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3OC)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M20 compound treatment 0.337 -0.013 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1973084 ChemDiv1_005916 COc1ccccc1N2C(=O)NC(=O)/C(=C\c3ccc(OC)c4ccccc34)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M21 compound treatment 0.338 -0.012 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1973085 ChemDiv1_005917 Fc1cccc(Cl)c1Cn2cc(C=C3C(=O)NC(=S)NC3=O)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M22 compound treatment 0.351 0.001 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1973086 ChemDiv1_005918 COC(=O)c1ccc(NC(=O)CSc2nc3ccc(cc3s2)N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 M24 positive control 0.091 -0.259 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N01 compound treatment 0.345 -0.005 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1402720 ChemDiv1_005919 CCOC(=O)c1c(NC(=O)c2ccc(OC)c(c2)S(=O)(=O)N3CCOCC3)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N02 compound treatment 0.345 -0.005 -1.0 0.359 0.009 1.0 -1.0 -1.0 1973087 ChemDiv1_005920 NC(=O)Cn1c(SCCOc2ccc(Cl)cc2)nc3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N03 compound treatment 0.344 -0.006 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1148752 ChemDiv1_005921 COc1cc(ccc1O)C2CC(=O)NC(=C2C#N)SCC(=O)Nc3cc(C)ccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N04 compound treatment 0.388 0.038 1.0 0.388 0.038 1.0 -1.0 -1.0 1406793 ChemDiv1_005922 COc1cccc(NC(=O)CSc2nnc(SCC(=O)Nc3cccc(OC)c3)s2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N05 compound treatment 0.36 0.01 1.0 0.366 0.016 1.0 -1.0 -1.0 1434879 ChemDiv1_005923 CCN1C(=O)C2(C(=C(N)Oc3[nH]nc(c32)c4ccccc4)C#N)c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N06 compound treatment 0.468 0.118 1.0 0.483 0.133 1.0 -1.0 -1.0 1973088 ChemDiv1_005924 CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)/SC2=S)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N07 compound treatment 0.329 -0.021 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1588058 ChemDiv1_005925 CC1(COC2(OC1)C(=O)N(CN3CCN(Cc4ccccc4)CC3)c5ccccc52)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N08 compound treatment 0.344 -0.006 -1.0 0.351 0.001 1.0 -1.0 -1.0 1431459 ChemDiv1_005926 Clc1ccccc1Nc2ncnc3ccc(Br)cc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N09 compound treatment 0.333 -0.017 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1539996 ChemDiv1_005927 CC1CCCN(CN2C(=O)C3(OCC(C)(CO3)c4ccccc4)c5ccccc25)C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N10 compound treatment 0.367 0.017 1.0 0.363 0.013 1.0 -1.0 -1.0 1973089 ChemDiv1_005928 Cc1ccc(Cc2cnc(NC(=O)/C(=C\c3ccc(o3)c4ccc(F)cc4)/C#N)s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N11 compound treatment 0.344 -0.006 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1973090 ChemDiv1_005929 Cc1ccc(NC(=O)CSc2nc3CCCCCc3cc2C#N)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N12 compound treatment 0.363 0.013 1.0 0.363 0.013 1.0 -1.0 -1.0 1973091 ChemDiv1_005930 CCOC(=O)COn1c(=O)c(c2ccccc2)[n+]([O-])c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N13 compound treatment 0.346 -0.004 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973092 ChemDiv1_005931 COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3C)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N14 compound treatment 0.363 0.013 1.0 0.389 0.039 1.0 -1.0 -1.0 1267611 ChemDiv1_005932 Clc1ccc(Nc2nc(nc3ccccc23)c4ccncc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N15 compound treatment 0.378 0.028 1.0 0.37 0.02 1.0 -1.0 -1.0 1429757 ChemDiv1_005933 NC1=C(C#N)C2(C(=O)Nc3ccc(Br)cc32)C4=C(CC(CC4=O)c5ccccc5)O1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N16 compound treatment 0.364 0.014 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1332457 ChemDiv1_005934 COc1ccc(cc1)n2c(SCC(=O)N)nc3-c4ccccc4CC5(CCCC5)c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N17 compound treatment 0.349 -0.001 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973093 ChemDiv1_005935 NC1=C(C#N)C(C2=C(CC(CC2=O)c3ccccc3)O1)c4ccc(s4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N18 compound treatment 0.346 -0.004 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1125562 ChemDiv1_005936 Cc1cccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)c1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N19 compound treatment 0.344 -0.006 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1717881 ChemDiv1_005937 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3ccc(OC)cc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N20 compound treatment 0.345 -0.005 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1228410 ChemDiv1_005938 Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(F)c3)c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N21 compound treatment 0.342 -0.008 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1973094 ChemDiv1_005939 COC(=O)C(C)Sc1nnc(o1)c2ccncc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N22 compound treatment 0.37 0.02 1.0 0.362 0.012 1.0 -1.0 -1.0 1947459 ChemDiv1_005940 COc1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)N3CCN(CC3)c4ccc(F)cc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 N24 positive control 0.089 -0.261 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O01 compound treatment 0.333 -0.017 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1377390 ChemDiv1_005941 Cc1nc2ccccc2c(=O)n1OC(=O)c3ccc(cc3)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O02 compound treatment 0.33 -0.02 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1603342 ChemDiv1_005942 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(OC(=O)c4ccccc4)cc3)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O03 compound treatment 0.328 -0.022 -1.0 0.318 -0.032 -1.0 -1.0 -1.0 1153169 ChemDiv1_005943 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc3OCOc3c2)C(=O)Nc4ccccc4C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O04 compound treatment 0.367 0.017 1.0 0.374 0.024 1.0 -1.0 -1.0 1305348 ChemDiv1_005944 OC(=O)c1ccccc1C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc(F)cc4)sc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O05 compound treatment 0.393 0.043 1.0 0.406 0.056 1.0 -1.0 -1.0 1475998 ChemDiv1_005945 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cccc(OC)c5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O06 compound treatment 0.336 -0.014 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1235464 ChemDiv1_005946 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(C#N)cc4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O07 compound treatment 0.382 0.032 1.0 0.378 0.028 1.0 -1.0 -1.0 1262142 ChemDiv1_005947 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O08 compound treatment 0.417 0.067 1.0 0.418 0.068 1.0 -1.0 -1.0 1354432 ChemDiv1_005948 CCOc1cc(ccc1OC(=O)N2CCOCC2)C3C(=C(N)Oc4[nH]nc(c34)c5ccccc5)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O09 compound treatment 0.337 -0.013 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1973095 ChemDiv1_005949 Cc1ccc(N/C=C\2/C(=O)N(N=C2CSc3ccc(C)cc3)c4nc5ccccc5s4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O10 compound treatment 0.334 -0.016 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1330581 ChemDiv1_005950 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C2c3ccc(OC(=O)N4CCOCC4)cc3)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O11 compound treatment 0.395 0.045 1.0 0.352 0.002 1.0 -1.0 -1.0 1515972 ChemDiv1_005951 Cc1ccc(cc1)n2c3CC(C)(C)CC(=O)c3cc(C(=O)NCCc4c[nH]c5ccccc45)c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O12 compound treatment 0.386 0.036 1.0 0.392 0.042 1.0 -1.0 -1.0 1251221 ChemDiv1_005952 O=C(CSc1cccc2cccnc12)Nc3nc4c(ccc5ccccc45)s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O13 compound treatment 0.359 0.009 1.0 0.352 0.002 1.0 -1.0 -1.0 1973096 ChemDiv1_005953 CN(C)C(=O)C(Sc1nnc(c2ccc(Cl)cc2)n1c3ccccc3)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O14 compound treatment 0.372 0.022 1.0 0.367 0.017 1.0 -1.0 -1.0 1410142 ChemDiv1_005954 COc1ccc(cc1)c2c(C#N)c(N)nc(SC3CCCCC3=O)c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O15 compound treatment 0.345 -0.005 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973097 ChemDiv1_005955 CCN(CC)c1ccc(/C=C/2\C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O16 compound treatment 0.311 -0.039 -1.0 0.295 -0.055 -1.0 -1.0 -1.0 1388075 ChemDiv1_005956 COC(=O)CSC1=C(C#N)C(C(=C(C)N1)C(=O)OC(C)(C)C)c2ccc(Cl)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O17 compound treatment 0.333 -0.017 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1973098 ChemDiv1_005957 COc1cc(/C=C/2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O18 compound treatment 0.359 0.009 1.0 0.354 0.004 1.0 -1.0 -1.0 1609194 ChemDiv1_005958 COC(=O)CSC1=C(C#N)C(CC(=O)N1)c2ccc(OC)c(OCc3ccccc3)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O19 compound treatment 0.348 -0.002 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1782052 ChemDiv1_005959 CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc3CC(CCc13)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O20 compound treatment 0.372 0.022 1.0 0.366 0.016 1.0 -1.0 -1.0 1973099 ChemDiv1_005960 COc1ccccc1N2C(=O)NC(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O21 compound treatment 0.35 0.0 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1913327 ChemDiv1_005961 FC(F)(F)C(=O)Nc1nnc([nH]1)c2nnc(NC(=O)C(F)(F)F)[nH]2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O22 compound treatment 0.349 -0.001 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1530759 ChemDiv1_005962 O=C(CN1C(=O)c2ccccc2S1(=O)=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 O24 positive control 0.091 -0.259 -1.0 0.095 -0.255 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P01 compound treatment 0.363 0.013 1.0 0.355 0.005 1.0 -1.0 -1.0 1973100 ChemDiv1_005963 NC1=C(C#N)C(c2c(n[nH]c2O1)c3ccc(cc3)[N+](=O)[O-])c4c(F)cccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P02 compound treatment 0.384 0.034 1.0 0.383 0.033 1.0 -1.0 -1.0 1650438 ChemDiv1_005964 CCCOc1ccc(cc1)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P03 compound treatment 0.365 0.015 1.0 0.352 0.002 1.0 -1.0 -1.0 1784757 ChemDiv1_005965 Cc1ccc(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c3ccc(cc3)[N+](=O)[O-])c(C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P04 compound treatment 0.433 0.083 1.0 0.429 0.079 1.0 -1.0 -1.0 1306347 ChemDiv1_005966 O=C(CC1SC(=O)NC1=O)Nc2ccccc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P05 compound treatment 0.414 0.064 1.0 0.395 0.045 1.0 -1.0 -1.0 1973101 ChemDiv1_005967 CCOc1cc(ccc1OC)C2C(=C(N)Oc3[nH]nc(c23)c4ccc(cc4)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P06 compound treatment 0.38 0.03 1.0 0.372 0.022 1.0 -1.0 -1.0 1950296 ChemDiv1_005968 Oc1ccc2c(=O)c(Oc3ccccc3Br)c(oc2c1CN4CCOCC4)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P07 compound treatment 0.451 0.101 1.0 0.457 0.107 1.0 -1.0 -1.0 1283958 ChemDiv1_005969 NC1=C(C#N)C(c2c(n[nH]c2O1)c3ccccc3)c4cccc(OC(=O)N5CCOCC5)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P08 compound treatment 0.424 0.074 1.0 0.515 0.165 1.0 -1.0 -1.0 1941168 ChemDiv1_005970 CC(=O)c1cccc(Nc2ncnc3ccc(Br)cc23)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P09 compound treatment 0.357 0.007 1.0 0.364 0.014 1.0 -1.0 -1.0 1973102 ChemDiv1_005971 Brc1ccc(CN2CCN(CCNC(=O)C(=O)Nc3ccccc3)CC2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P10 compound treatment 0.385 0.035 1.0 0.396 0.046 1.0 -1.0 -1.0 1973103 ChemDiv1_005972 Cc1ccc(Cc2cnc(NC(=O)/C(=C\c3ccc(o3)c4ccc(cc4)[N+](=O)[O-])/C#N)s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P11 compound treatment 0.371 0.021 1.0 0.38 0.03 1.0 -1.0 -1.0 1456147 ChemDiv1_005973 NS(=O)(=O)c1ccc(NC(=O)CSc2nc3CCCCCc3cc2C#N)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P12 compound treatment 0.384 0.034 1.0 0.384 0.034 1.0 -1.0 -1.0 1973104 ChemDiv1_005974 Cc1[n+]([O-])c2ccccc2n(OCc3ccccc3)c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P13 compound treatment 0.352 0.002 1.0 0.355 0.005 1.0 -1.0 -1.0 1973105 ChemDiv1_005975 COc1ccc2ccccc2c1/C=C/3\C(=O)NC(=O)N(C3=O)c4ccccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P14 compound treatment 0.379 0.029 1.0 0.37 0.02 1.0 -1.0 -1.0 1172751 ChemDiv1_005976 Brc1ccc(Nc2nc(nc3ccccc23)c4ccncc4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P15 compound treatment 0.426 0.076 1.0 0.426 0.076 1.0 -1.0 -1.0 1973106 ChemDiv1_005977 COc1ccc(cc1OC)c2n[nH]c3OC(=C(C#N)C(c23)c4ccc(OC(=O)N5CCOCC5)cc4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P16 compound treatment 0.421 0.071 1.0 0.434 0.084 1.0 -1.0 -1.0 1649547 ChemDiv1_005978 Cc1cccc(c1)n2c(SCC(=O)N)nc3-c4ccccc4CC5(CCCCC5)c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P17 compound treatment 0.412 0.062 1.0 0.43 0.08 1.0 -1.0 -1.0 1606823 ChemDiv1_005979 NC1=C(C#N)C(c2c(n[nH]c2O1)c3ccccc3)c4ccc(OC(=O)c5ccco5)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P18 compound treatment 0.367 0.017 1.0 0.365 0.015 1.0 -1.0 -1.0 1414985 ChemDiv1_005980 Cc1c(Cl)cccc1NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P19 compound treatment 0.366 0.016 1.0 0.363 0.013 1.0 -1.0 -1.0 1973107 ChemDiv1_005981 Clc1ccccc1CN2CCN(CCNC(=O)C(=O)Nc3ccc(Br)cc3)CC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P20 compound treatment 0.357 0.007 1.0 0.356 0.006 1.0 -1.0 -1.0 1783036 ChemDiv1_005982 Cn1c(=O)n(C)c2ncn(CC(=O)Nc3ccc(F)c(c3)[N+](=O)[O-])c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P21 compound treatment 0.352 0.002 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1633451 ChemDiv1_005983 Clc1nc(NCc2ccco2)nc(n1)N3CCC(Cc4ccccc4)CC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P22 compound treatment 0.368 0.018 1.0 0.362 0.012 1.0 -1.0 -1.0 1947799 ChemDiv1_005984 COc1ccc(/N=C\2/SC(CC(=O)N2C)C(=O)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.603 P24 positive control 0.094 -0.256 -1.0 0.095 -0.255 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A01 compound treatment 0.35 0.0 -1.0 0.361 0.011 1.0 -1.0 -1.0 1947446 ChemDiv1_005985 COc1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)/C(=N\c4ccccc4)/S2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A02 compound treatment 0.348 -0.002 -1.0 0.351 0.001 1.0 -1.0 -1.0 1481169 ChemDiv1_005986 CCOC(=O)CSc1nc2sc3CCCc3c2c(=O)n1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A03 compound treatment 0.347 -0.003 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1488783 ChemDiv1_005987 Clc1cccc(NC(=O)Nc2nc(cs2)c3ccccc3)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A04 compound treatment 0.221 -0.129 -1.0 0.224 -0.126 -1.0 -1.0 -1.0 1278626 ChemDiv1_005988 COC(=O)CCSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1CC(=C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A05 compound treatment 0.346 -0.004 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1253323 ChemDiv1_005989 CC(C)OC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c3cc(C)ccc3C)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A06 compound treatment 0.363 0.013 1.0 0.365 0.015 1.0 -1.0 -1.0 1973108 ChemDiv1_005990 CCOC(=O)c1c(C)n(CC(COC(=O)C)OC(=O)C)c2ccc(OC(=O)C)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A07 compound treatment 0.349 -0.001 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1973109 ChemDiv1_005991 COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(ccc3Cl)[N+](=O)[O-])cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A08 compound treatment 0.349 -0.001 -1.0 0.353 0.003 1.0 -1.0 -1.0 1947556 ChemDiv1_005992 CC(=O)OCc1c(OC(=O)C)ccc2c([N+](=O)[O-])c(C)n(c3ccc(C)cc3)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A09 compound treatment 0.333 -0.017 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1973110 ChemDiv1_005993 CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3cccc(c3)[N+](=O)[O-])cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A10 compound treatment 0.418 0.068 1.0 0.412 0.062 1.0 -1.0 -1.0 1973111 ChemDiv1_005994 COc1ccc(cc1)c2cc(c(C#N)c(N)n2)c3cccc(Br)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A11 compound treatment 0.346 -0.004 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1519849 ChemDiv1_005995 Cc1ccn2cc(nc2c1)c3cccc(NC(=O)c4cc5cc(Br)ccc5oc4=O)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A12 compound treatment 0.38 0.03 1.0 0.382 0.032 1.0 -1.0 -1.0 1973112 ChemDiv1_005996 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc6OCOc6cc5[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A13 compound treatment 0.361 0.011 1.0 0.35 0.0 -1.0 -1.0 -1.0 1681646 ChemDiv1_005997 COc1ccc(Cl)cc1C(=O)On2c(nc3ccccc3c2=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A14 compound treatment 0.357 0.007 1.0 0.364 0.014 1.0 -1.0 -1.0 1412711 ChemDiv1_005998 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(F)c(Br)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A15 compound treatment 0.34 -0.01 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973113 ChemDiv1_005999 CCOC(=O)CSc1nc2sc3CC(CCc3c2c(=O)[nH]1)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A16 compound treatment 0.345 -0.005 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1185413 ChemDiv1_006000 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)Nc3ccccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A17 compound treatment 0.386 0.036 1.0 0.386 0.036 1.0 -1.0 -1.0 1786017 ChemDiv1_006001 CCn1c(=O)c2c3CCN(C)Cc3sc2[nH]c1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A18 compound treatment 0.347 -0.003 -1.0 0.351 0.001 1.0 -1.0 -1.0 1532603 ChemDiv1_006002 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2)C(=O)Nc3ccccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A19 compound treatment 0.343 -0.007 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973114 ChemDiv1_006003 COC(=O)CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A20 compound treatment 0.351 0.001 1.0 0.353 0.003 1.0 -1.0 -1.0 1718388 ChemDiv1_006004 COc1cc(ccc1OC(=O)C)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A21 compound treatment 0.337 -0.013 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1933565 ChemDiv1_006005 COC(=O)CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A22 compound treatment 0.341 -0.009 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1973115 ChemDiv1_006006 C(C1CCN(CC1)c2nc3nonc3nc2Nc4ccc5OCOc5c4)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 A24 positive control 0.078 -0.272 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B01 compound treatment 0.368 0.018 1.0 0.37 0.02 1.0 -1.0 -1.0 1973116 ChemDiv1_006007 Oc1c(CN2CCN(CC2)c3cccc(c3)C(F)(F)F)cc([N+](=O)[O-])c4cccnc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B02 compound treatment 0.357 0.007 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1973117 ChemDiv1_006008 COC(=O)CC1SC(=O)NC1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B03 compound treatment 0.342 -0.008 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973118 ChemDiv1_006009 CCCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3c(C)n(C)n(c4ccccc4)c3=O)/c5ccccc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B04 compound treatment 0.349 -0.001 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1623729 ChemDiv1_006010 O=C(Nc1cccc2nsnc12)c3ccc4OCCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B05 compound treatment 0.338 -0.012 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1973119 ChemDiv1_006011 CCCn1c(NC(=O)C)nc2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B06 compound treatment 0.348 -0.002 -1.0 0.38 0.03 1.0 -1.0 -1.0 1973120 ChemDiv1_006012 O=C1c2ccccc2C(=O)c3c(cccc13)c4ccc(C=c5sc6nc7ccccc7n6c5=O)o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B07 compound treatment 0.34 -0.01 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1973121 ChemDiv1_006013 CCCC/1=NN(C(=O)\C1=C(/C)\NCCO)c2nc3ccccc3s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B08 compound treatment 0.349 -0.001 -1.0 0.391 0.041 1.0 -1.0 -1.0 1358997 ChemDiv1_006014 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NC(=O)c4cc(Cl)ccc4OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B09 compound treatment 0.317 -0.033 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1973122 ChemDiv1_006015 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)OC(=C(C#N)C3c4ccc(Cl)cc4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B10 compound treatment 0.357 0.007 1.0 0.357 0.007 1.0 -1.0 -1.0 1973123 ChemDiv1_006016 FC(F)(F)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B11 compound treatment 0.332 -0.018 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1973124 ChemDiv1_006017 CC1CCN(CC1)c2nc3c(C)cccn3c(=O)c2/C=C/4\SC(=S)N(Cc5ccccc5)C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B12 compound treatment 0.352 0.002 1.0 0.352 0.002 1.0 -1.0 -1.0 1188772 ChemDiv1_006018 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NCc4ccc(Br)s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B13 compound treatment 0.335 -0.015 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973125 ChemDiv1_006019 CN1CCN(CC1)c2nc3c(C)cccn3c(=O)c2/C=C/4\SC(=S)N(Cc5ccccc5)C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B14 compound treatment 0.318 -0.032 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1394214 ChemDiv1_006020 COc1ccc(CNn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B15 compound treatment 0.309 -0.041 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1395003 ChemDiv1_006021 CCCOc1nnc(c2ccc(OC)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B16 compound treatment 0.404 0.054 1.0 0.411 0.061 1.0 -1.0 -1.0 1445404 ChemDiv1_006022 CC1CCCN(Cc2c(O)ccc3cc(c4nc5ccccc5s4)c(=O)oc23)C1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B17 compound treatment 0.343 -0.007 -1.0 0.353 0.003 1.0 -1.0 -1.0 1298832 ChemDiv1_006023 COc1ccc(cc1)c2nnc(Nc3c(C)n(C)n(c4ccccc4)c3=O)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B18 compound treatment 0.351 0.001 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1924804 ChemDiv1_006024 COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(Br)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B19 compound treatment 0.345 -0.005 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1216509 ChemDiv1_006025 CCOC(=O)Cc1nnc(Nc2ccc(OC)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B20 compound treatment 0.344 -0.006 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1584103 ChemDiv1_006026 COC(=O)c1c(C)oc2ccc(OC(=O)c3c(C)oc4ccc(OC(=O)C)cc34)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B21 compound treatment 0.341 -0.009 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1357985 ChemDiv1_006027 OCCNC(=O)c1ccc(cc1)c2nnc(N3CCOCC3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B22 compound treatment 0.337 -0.013 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1405592 ChemDiv1_006028 CCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)c3ccc(OC)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 B24 positive control 0.078 -0.272 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C01 compound treatment 0.362 0.012 1.0 0.374 0.024 1.0 -1.0 -1.0 1785884 ChemDiv1_006029 CCOc1cc(ccc1OC)C2C(=C(N)Oc3[nH]nc(c23)c4cccc(c4)[N+](=O)[O-])C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C02 compound treatment 0.339 -0.011 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973126 ChemDiv1_006030 CCn1c(SCc2ccccc2)nc3sc4COC(C)(C)Cc4c3c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C03 compound treatment 0.333 -0.017 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1370836 ChemDiv1_006031 O=C(NC1CCCCC1)Nc2nc(cs2)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C04 compound treatment 0.34 -0.01 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1973127 ChemDiv1_006032 COC(=O)CCSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C05 compound treatment 0.369 0.019 1.0 0.364 0.014 1.0 -1.0 -1.0 1577212 ChemDiv1_006033 CC(C)OC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c3ccc4NC(=O)c5cccc3c45)c6ccccc26 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C06 compound treatment 0.331 -0.019 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973128 ChemDiv1_006034 CCOC(=O)c1c(C)n(c2ccc(Cl)cc2)c3ccc(Oc4nccc(Nc5ccccc5)c4C#N)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C07 compound treatment 0.317 -0.033 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1927676 ChemDiv1_006035 COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C08 compound treatment 0.362 0.012 1.0 0.368 0.018 1.0 -1.0 -1.0 1916527 ChemDiv1_006036 CN(C)Cc1c(O)ccc2c([N+](=O)[O-])c(/C=C/N(C)C)n(c3ccc(C)cc3)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C09 compound treatment 0.326 -0.024 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1634848 ChemDiv1_006037 CCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C10 compound treatment 0.325 -0.025 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1730163 ChemDiv1_006038 CC(C)Cc1cc(c(C#N)c(O)n1)c2ccccc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C11 compound treatment 0.337 -0.013 -1.0 0.365 0.015 1.0 -1.0 -1.0 1254019 ChemDiv1_006039 Cc1nc(sc1C(=O)Nc2cccc(c2)c3cn4ccccc4n3)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C12 compound treatment 0.363 0.013 1.0 0.372 0.022 1.0 -1.0 -1.0 1311863 ChemDiv1_006040 COc1cc(cc(Br)c1OC)C2Nc3cc(C)c(C)cc3NC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C13 compound treatment 0.33 -0.02 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973129 ChemDiv1_006041 Cc1c(Br)c(nn1CC(=O)Nn2c(nc3ccccc3c2=O)c4ccccc4F)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C14 compound treatment 0.344 -0.006 -1.0 0.355 0.005 1.0 -1.0 -1.0 1483240 ChemDiv1_006042 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5coc6ccccc6c5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C15 compound treatment 0.318 -0.032 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1669237 ChemDiv1_006043 Cc1ccc(cc1)n2c(SCC(=O)N)nc3sc4CCCCCc4c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C16 compound treatment 0.361 0.011 1.0 0.367 0.017 1.0 -1.0 -1.0 1973130 ChemDiv1_006044 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C17 compound treatment 0.336 -0.014 -1.0 0.356 0.006 1.0 -1.0 -1.0 1688044 ChemDiv1_006045 COc1ccc(cc1)n2c(=O)c3c4CCC(Cc4sc3[nH]c2=S)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C18 compound treatment 0.368 0.018 1.0 0.377 0.027 1.0 -1.0 -1.0 1309826 ChemDiv1_006046 CCOc1cc(ccc1OC(=O)C2CC2)C3Nc4cc(C)c(C)cc4NC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C19 compound treatment 0.326 -0.024 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973131 ChemDiv1_006047 COC(=O)CSc1nnc2n(c3ccccc3)c(=O)c4c5CC(C)(C)OCc5sc4n12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C20 compound treatment 0.334 -0.016 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1528142 ChemDiv1_006048 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(OC)cc2)C(=O)Nc3ccccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C21 compound treatment 0.345 -0.005 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1946371 ChemDiv1_006049 COC(=O)CSc1nnc2n(c3ccc(OC)cc3)c(=O)c4c5CC(C)(C)OCc5sc4n12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C22 compound treatment 0.326 -0.024 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1433318 ChemDiv1_006050 C(Nc1nc2nonc2nc1NCc3ccc4OCOc4c3)c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 C24 positive control 0.081 -0.269 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D01 compound treatment 0.398 0.048 1.0 0.403 0.053 1.0 -1.0 -1.0 1973132 ChemDiv1_006051 Oc1c(cc(CN2CCN(CC2)c3cccc(c3)C(F)(F)F)c4cccnc14)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D02 compound treatment 0.349 -0.001 -1.0 0.361 0.011 1.0 -1.0 -1.0 1281108 ChemDiv1_006052 CCOC(=O)c1ccc(NC(=O)CC2SC(=O)NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D03 compound treatment 0.343 -0.007 -1.0 0.351 0.001 1.0 -1.0 -1.0 1973133 ChemDiv1_006053 C/C(=C\1/C(=O)N(N=C1CSc2ccc(C)cc2)c3nc4ccccc4s3)/NCCN5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D04 compound treatment 0.328 -0.022 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1214369 ChemDiv1_006054 COc1cc(cc(OC)c1OC)C(=O)Nc2cc(ccc2C)c3nc4cc(Cl)cc(Cl)c4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D05 compound treatment 0.324 -0.026 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1149271 ChemDiv1_006055 CCC(=O)Nc1nc2ccccc2n1Cc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D06 compound treatment 0.33 -0.02 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1973134 ChemDiv1_006056 Cc1ccc(cc1)S(=O)(=O)n2cc(C=c3sc4nc5ccccc5n4c3=O)c6ccccc26 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D07 compound treatment 0.369 0.019 1.0 0.386 0.036 1.0 -1.0 -1.0 1973135 ChemDiv1_006057 CC/1=NN(C(=O)\C1=C\NCCN2CCN(CC2)C(=S)NCC=C)c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D08 compound treatment 0.307 -0.043 -1.0 0.356 0.006 1.0 -1.0 -1.0 1973136 ChemDiv1_006058 COc1cc(/C=C/C(=O)Nn2c(nc3ccccc3c2=O)c4cccs4)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D09 compound treatment 0.329 -0.021 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1973137 ChemDiv1_006059 COc1ccc(cc1)C2C(=C(N)OC3=C2C(=O)CC(C3)c4ccc(Cl)cc4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D10 compound treatment 0.332 -0.018 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1973138 ChemDiv1_006060 Cc1cc(Br)ccc1NC(=O)Cn2c3ccccc3c(=O)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D11 compound treatment 0.249 -0.101 -1.0 0.274 -0.076 -1.0 -1.0 -1.0 1973139 ChemDiv1_006061 OCCN1CCN(CC1)c2nc3ccccn3c(=O)c2/C=C/4\SC(=S)N(C5CCCCC5)C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D12 compound treatment 0.346 -0.004 -1.0 0.365 0.015 1.0 -1.0 -1.0 1520227 ChemDiv1_006062 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NCc4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D13 compound treatment 0.312 -0.038 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1973140 ChemDiv1_006063 CC(N1C(=O)/C(=C/c2c(nc3c(C)cccn3c2=O)N4CCN(C)CC4)/SC1=S)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D14 compound treatment 0.352 0.002 1.0 0.373 0.023 1.0 -1.0 -1.0 1973141 ChemDiv1_006064 COc1ccccc1/C=C/CNn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D15 compound treatment 0.308 -0.042 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1973142 ChemDiv1_006065 CCCCOc1nnc(c2ccc(C)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D16 compound treatment 0.366 0.016 1.0 0.375 0.025 1.0 -1.0 -1.0 1331060 ChemDiv1_006066 CC1CCN(Cc2c(O)ccc3cc(c4nc5ccccc5s4)c(=O)oc23)CC1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D17 compound treatment 0.356 0.006 1.0 0.338 -0.012 -1.0 -1.0 -1.0 1549604 ChemDiv1_006067 CC(=O)Nc1ccc(Oc2nnc(c3ccc(C)cc3)c4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D18 compound treatment 0.329 -0.021 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973143 ChemDiv1_006068 COC(=O)c1c(C)oc2ccc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D19 compound treatment 0.329 -0.021 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1553917 ChemDiv1_006069 COC(=O)Cc1nnc(Nc2cccc(C)c2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D20 compound treatment 0.335 -0.015 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1929637 ChemDiv1_006070 Cc1csc(n1)c2cc3ccc(OCc4c(F)c(F)c(F)c(F)c4F)cc3oc2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D21 compound treatment 0.349 -0.001 -1.0 0.361 0.011 1.0 -1.0 -1.0 1282096 ChemDiv1_006071 OCCNC(=O)c1ccc(cc1)c2nnc(Nc3ccc(O)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D22 compound treatment 0.33 -0.02 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1246059 ChemDiv1_006072 COc1ccc(cc1)C(=O)COc2cc3c(C(=O)OC(C)C)c(C)oc3cc2Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 D24 positive control 0.081 -0.269 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E01 compound treatment 0.356 0.006 1.0 0.364 0.014 1.0 -1.0 -1.0 1543733 ChemDiv1_006073 CCC(C)C(=O)N1C(C)CC(N(C(=O)COc2ccccc2)c3ccccc3)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E02 compound treatment 0.341 -0.009 -1.0 0.355 0.005 1.0 -1.0 -1.0 1177834 ChemDiv1_006074 COc1ccc(cc1)n2c(SCC(=O)N)nc3sc4CCCc4c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E03 compound treatment 0.331 -0.019 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1538593 ChemDiv1_006075 COc1ccc(cc1OC)C(NC(=O)Cc2ccccc2)c3ccc4cccnc4c3O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E04 compound treatment 0.316 -0.034 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1210289 ChemDiv1_006076 CCOC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1C4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E05 compound treatment 0.272 -0.078 -1.0 0.308 -0.042 -1.0 -1.0 -1.0 1119689 ChemDiv1_006077 CC(C)OC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E06 compound treatment 0.32 -0.03 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1217122 ChemDiv1_006078 CCOC(=O)c1c(CN(C)C)n(c2ccccc2)c3cc(Br)c(O)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E07 compound treatment 0.32 -0.03 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1973144 ChemDiv1_006079 COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c3ccc(Cl)c(c3)[N+](=O)[O-])c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E08 compound treatment 0.311 -0.039 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1586029 ChemDiv1_006080 COc1cc(ccc1O)C(C#N)N2N=C(CC2c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E09 compound treatment 0.313 -0.037 -1.0 0.32 -0.03 -1.0 -1.0 -1.0 1141435 ChemDiv1_006081 CC(C)OC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4NC(=O)c5cccc3c45)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E10 compound treatment 0.319 -0.031 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1344690 ChemDiv1_006082 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4ccc(OCc5ccccc5)cc4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E11 compound treatment 0.32 -0.03 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1337531 ChemDiv1_006083 Cc1nc(sc1C(=O)Nc2cccc(c2)c3cn4ccc(C)cc4n3)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E12 compound treatment 0.36 0.01 1.0 0.355 0.005 1.0 -1.0 -1.0 1973145 ChemDiv1_006084 CCOc1cc(cc([N+](=O)[O-])c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E13 compound treatment 0.338 -0.012 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1973146 ChemDiv1_006085 Cc1nc2ccccc2c(=O)n1OC(=O)/C=C/c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E14 compound treatment 0.324 -0.026 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1428416 ChemDiv1_006086 COc1cc(cc(Br)c1O)C2NC(=O)NC(=C2C(=O)OCc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E15 compound treatment 0.314 -0.036 -1.0 0.359 0.009 1.0 -1.0 -1.0 1973147 ChemDiv1_006087 CCOC(=O)CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1CCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E16 compound treatment 0.305 -0.045 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1461344 ChemDiv1_006088 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Br)c(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E17 compound treatment 0.288 -0.062 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1230233 ChemDiv1_006089 CC(C)(C)C1CCc2c(C1)sc3[nH]c(=S)[nH]c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E18 compound treatment 0.333 -0.017 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1250418 ChemDiv1_006090 CCOC(=O)c1c(C)c(sc1NC(=O)C2(CC3CC4CC(C3)C2)C4)C(=O)Nc5ccccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E19 compound treatment 0.351 0.001 1.0 0.357 0.007 1.0 -1.0 -1.0 1973148 ChemDiv1_006091 CC1(C)Cc2c(CO1)sc3nc(SCC(=O)O)n(Cc4ccccc4)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E20 compound treatment 0.344 -0.006 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1950556 ChemDiv1_006092 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(C)c(c5)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E21 compound treatment 0.321 -0.029 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1414682 ChemDiv1_006093 CC(C)Cn1c(=O)c2c3CC(C)(C)OCc3sc2[nH]c1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E22 compound treatment 0.349 -0.001 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1266337 ChemDiv1_006094 CC1CCCN(C1)c2nc3nonc3nc2Nc4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 E24 positive control 0.084 -0.266 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F01 compound treatment 0.402 0.052 1.0 0.467 0.117 1.0 -1.0 -1.0 1973149 ChemDiv1_006095 COc1ccc(/C=C/2\N=C(OC2=O)c3ccccc3Br)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F02 compound treatment 0.315 -0.035 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1973150 ChemDiv1_006096 COc1ccc(Cl)cc1N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F03 compound treatment 0.336 -0.014 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973151 ChemDiv1_006097 C/C(=C\1/C(=O)N(N=C1CSc2ccc(C)cc2)c3nc4ccccc4s3)/NCc5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F04 compound treatment 0.338 -0.012 -1.0 0.353 0.003 1.0 -1.0 -1.0 1229590 ChemDiv1_006098 Cc1ccc(cc1NC(=O)c2ccc3OCCOc3c2)c4nc5cc(Cl)cc(Cl)c5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F05 compound treatment 0.341 -0.009 -1.0 0.362 0.012 1.0 -1.0 -1.0 1925029 ChemDiv1_006099 COc1cccc(c1)C(=O)N2C(C)CC(N(C(=O)C(F)(F)F)c3ccccc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F06 compound treatment 0.349 -0.001 -1.0 0.374 0.024 1.0 -1.0 -1.0 1450429 ChemDiv1_006100 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F07 compound treatment 0.375 0.025 1.0 0.384 0.034 1.0 -1.0 -1.0 1234384 ChemDiv1_006101 Cc1ccc(cc1)C2N(C(=O)CCC(=O)O)c3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F08 compound treatment 0.35 0.0 -1.0 0.352 0.002 1.0 -1.0 -1.0 1168164 ChemDiv1_006102 Cc1nc2sc3CCCCc3c2c(=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F09 compound treatment 0.384 0.034 1.0 0.385 0.035 1.0 -1.0 -1.0 1973152 ChemDiv1_006103 CC/1=NN(C(=O)\C1=C\NCc2ccc3OCOc3c2)c4ccc(cc4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F10 compound treatment 0.407 0.057 1.0 0.391 0.041 1.0 -1.0 -1.0 1973153 ChemDiv1_006104 Clc1ccc(Oc2ccc(NC(=O)Cn3c4ccccc4c(=O)c5ccccc35)cc2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F11 compound treatment 0.333 -0.017 -1.0 0.366 0.016 1.0 -1.0 -1.0 1973154 ChemDiv1_006105 CC(C)CN1C(=O)/C(=C/c2c(nc3ccccn3c2=O)N4CCN(CCO)CC4)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F12 compound treatment 0.354 0.004 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1532399 ChemDiv1_006106 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NCc4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F13 compound treatment 0.309 -0.041 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1973155 ChemDiv1_006107 COCCCN1C(=O)/C(=C/c2c(nc3c(C)cccn3c2=O)N4CCN(C)CC4)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F14 compound treatment 0.342 -0.008 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1344065 ChemDiv1_006108 COc1ccc(O)c(CNn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F15 compound treatment 0.32 -0.03 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1973156 ChemDiv1_006109 CCCCOc1nnc(c2ccc(Cl)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F16 compound treatment 0.339 -0.011 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1379296 ChemDiv1_006110 CCOC(=O)c1c(C)oc2ccc(OCC(=O)c3ccc(Br)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F17 compound treatment 0.326 -0.024 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1500053 ChemDiv1_006111 CC(=O)Nc1ccc(Oc2nnc(c3ccc(Cl)cc3)c4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F18 compound treatment 0.32 -0.03 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973157 ChemDiv1_006112 CCOC(=O)c1c(C)oc2ccc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F19 compound treatment 0.359 0.009 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1397533 ChemDiv1_006113 COC(=O)c1ccc(cc1)c2nnc(Nc3ccc(Cl)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F20 compound treatment 0.332 -0.018 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1924652 ChemDiv1_006114 Cc1csc(n1)c2cc3ccc(OC/C=C/c4ccccc4)cc3oc2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F21 compound treatment 0.375 0.025 1.0 0.383 0.033 1.0 -1.0 -1.0 1424194 ChemDiv1_006115 COC(=O)c1ccc(Nc2nnc(c3ccc(cc3)C(=O)NCCO)c4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F22 compound treatment 0.338 -0.012 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1372136 ChemDiv1_006116 CCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OCc3ccccc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 F24 positive control 0.086 -0.264 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G01 compound treatment 0.371 0.021 1.0 0.384 0.034 1.0 -1.0 -1.0 1591908 ChemDiv1_006117 CCC(C)C(=O)N1C(C)CC(N(C(=O)c2cccc(Cl)c2)c3ccccc3)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G02 compound treatment 0.353 0.003 1.0 0.362 0.012 1.0 -1.0 -1.0 1620057 ChemDiv1_006118 O=c1n(C2CCCCC2)c(=S)[nH]c3sc4CCCc4c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G03 compound treatment 0.341 -0.009 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1446863 ChemDiv1_006119 CC(C)OC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c3c(C)cc(C)cc3C)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G04 compound treatment 0.335 -0.015 -1.0 0.362 0.012 1.0 -1.0 -1.0 1351010 ChemDiv1_006120 CCOC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G05 compound treatment 0.296 -0.054 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1385731 ChemDiv1_006121 CC(C)OC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G06 compound treatment 0.312 -0.038 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1565498 ChemDiv1_006122 CCOC(=O)c1c(CSc2ccccc2)n(Cc3ccccc3)c4cc(Br)c(O)c(CN(C)C)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G07 compound treatment 0.318 -0.032 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1402059 ChemDiv1_006123 CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc(C)cc3C)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G08 compound treatment 0.331 -0.019 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1342061 ChemDiv1_006124 Oc1ccccc1C(C#N)N2N=C(CC2c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G09 compound treatment 0.331 -0.019 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1124980 ChemDiv1_006125 CCOC(=O)Cn1c(Sc2nc3n(C)c(=O)n(C)c(=O)c3n2C)nc4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G10 compound treatment 0.338 -0.012 -1.0 0.355 0.005 1.0 -1.0 -1.0 1973158 ChemDiv1_006126 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cccc(Br)c4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G11 compound treatment 0.324 -0.026 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1973159 ChemDiv1_006127 COc1ccccc1OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G12 compound treatment 0.331 -0.019 -1.0 0.362 0.012 1.0 -1.0 -1.0 1950533 ChemDiv1_006128 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccccc5C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G13 compound treatment 0.331 -0.019 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1973160 ChemDiv1_006129 Oc1cccc(c1)n2c(/C=C/c3cc(Br)ccc3O)nc4ccccc4c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G14 compound treatment 0.326 -0.024 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1425310 ChemDiv1_006130 COc1cc(ccc1O)C2NC(=O)NC(=C2C(=O)OCc3ccc4OCOc4c3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G15 compound treatment 0.325 -0.025 -1.0 0.324 -0.026 -1.0 -1.0 -1.0 1577022 ChemDiv1_006131 NC(=O)CSc1nc2sc3CCCCCc3c2c(=O)n1C4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G16 compound treatment 0.332 -0.018 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1426969 ChemDiv1_006132 COc1cc(cc(Br)c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G17 compound treatment 0.343 -0.007 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973161 ChemDiv1_006133 COc1ccc(cc1)n2c(SC)nc3sc4COC(C)(C)Cc4c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G18 compound treatment 0.341 -0.009 -1.0 0.354 0.004 1.0 -1.0 -1.0 1687208 ChemDiv1_006134 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cccc6ccccc56 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G19 compound treatment 0.343 -0.007 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973162 ChemDiv1_006135 COC(=O)CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1C4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G20 compound treatment 0.338 -0.012 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1531762 ChemDiv1_006136 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Br)ccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G21 compound treatment 0.343 -0.007 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1973163 ChemDiv1_006137 CC(=C)Cn1c(SCC(=C)Br)nc2sc3COC(C)(C)Cc3c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G22 compound treatment 0.338 -0.012 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1708729 ChemDiv1_006138 COc1ccc(Nc2nc3nonc3nc2Nc4ccc(OC)cc4OC)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 G24 positive control 0.084 -0.266 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H01 compound treatment 0.384 0.034 1.0 0.394 0.044 1.0 -1.0 -1.0 1156675 ChemDiv1_006139 CC(=O)Oc1ccc(cc1)C(=O)Nc2ccc3nc(oc3c2)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H02 compound treatment 0.354 0.004 1.0 0.372 0.022 1.0 -1.0 -1.0 1973164 ChemDiv1_006140 COc1ccc(Cl)cc1N(CC(=O)N2CCN(CC2)c3ccccc3)S(=O)(=O)c4ccc(C)c(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H03 compound treatment 0.357 0.007 1.0 0.396 0.046 1.0 -1.0 -1.0 1973165 ChemDiv1_006141 Clc1ccc(SCC/2=NN(C(=O)\C2=C\NCCCN3CCOCC3)c4nc5ccccc5s4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H04 compound treatment 0.336 -0.014 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1590418 ChemDiv1_006142 O=C(Cn1c(SCc2ccccc2)nc3ccccc13)N4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H05 compound treatment 0.312 -0.038 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1475097 ChemDiv1_006143 CCOc1ccc2nc(SC3CC(=O)N(C3=O)c4cccc(OC)c4)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H06 compound treatment 0.355 0.005 1.0 0.369 0.019 1.0 -1.0 -1.0 1686613 ChemDiv1_006144 CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OC(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H07 compound treatment 0.363 0.013 1.0 0.383 0.033 1.0 -1.0 -1.0 1690394 ChemDiv1_006145 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccc(C)cc5)C(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H08 compound treatment 0.357 0.007 1.0 0.367 0.017 1.0 -1.0 -1.0 1973166 ChemDiv1_006146 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2OC(=O)/C=C/c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H09 compound treatment 0.344 -0.006 -1.0 0.368 0.018 1.0 -1.0 -1.0 1973167 ChemDiv1_006147 CC/1=NN(C(=O)\C1=C\NCCc2ccc(cc2)S(=O)(=O)N)c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H10 compound treatment 0.394 0.044 1.0 0.393 0.043 1.0 -1.0 -1.0 1973168 ChemDiv1_006148 Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)ccc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H11 compound treatment 0.428 0.078 1.0 0.448 0.098 1.0 -1.0 -1.0 1973169 ChemDiv1_006149 COCCN1C(=O)/C(=C/c2c(nc3ccccn3c2=O)N4CCN(CCO)CC4)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H12 compound treatment 0.37 0.02 1.0 0.36 0.01 1.0 -1.0 -1.0 1973170 ChemDiv1_006150 O=C(Cn1c2ccccc2c(=O)c3ccccc13)NC(c4ccccc4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H13 compound treatment 0.288 -0.062 -1.0 0.286 -0.064 -1.0 -1.0 -1.0 1973171 ChemDiv1_006151 CN1CCN(CC1)c2nc3c(C)cccn3c(=O)c2/C=C/4\SC(=S)N(CC5CCCO5)C4=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H14 compound treatment 0.33 -0.02 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1276069 ChemDiv1_006152 CCn1c2ccccc2c3cc(ccc13)C4C(=C(N)OC5=C4C(=O)CC(C)(C)C5)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H15 compound treatment 0.319 -0.031 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1973172 ChemDiv1_006153 CCCCOc1nnc(c2ccc(OC)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H16 compound treatment 0.333 -0.017 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1438869 ChemDiv1_006154 CC(C)OC(=O)c1c(C)oc2ccc(OCC(=O)c3ccc(Br)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H17 compound treatment 0.355 0.005 1.0 0.354 0.004 1.0 -1.0 -1.0 1437662 ChemDiv1_006155 COc1ccc(cc1)c2nnc(Oc3ccc(NC(=O)C)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H18 compound treatment 0.319 -0.031 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1973173 ChemDiv1_006156 CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H19 compound treatment 0.34 -0.01 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1141217 ChemDiv1_006157 Cc1nc2cc(Nc3nnc(C)c4ccccc34)ccc2n1Cc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H20 compound treatment 0.35 0.0 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1206829 ChemDiv1_006158 CCOC(=O)c1c(oc2cc(Br)c(OC(=O)c3ccco3)cc12)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H21 compound treatment 0.352 0.002 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1230084 ChemDiv1_006159 Cc1ccc(Nc2nnc(c3ccc(cc3)C(=O)NCCO)c4ccccc24)c(C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H22 compound treatment 0.344 -0.006 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1924787 ChemDiv1_006160 CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(cc3)[N+](=O)[O-])cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 H24 positive control 0.088 -0.262 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I01 compound treatment 0.359 0.009 1.0 0.367 0.017 1.0 -1.0 -1.0 1973174 ChemDiv1_006161 CCOc1ccc2N(C(=O)c3sc4ccccc4c3Cl)C(C)(C)C(=S)C(=C5SC(=C(S5)C(=O)OC)C(=O)OC)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I02 compound treatment 0.341 -0.009 -1.0 0.354 0.004 1.0 -1.0 -1.0 1397245 ChemDiv1_006162 CCC1(C)Cc2c(CO1)sc3[nH]c(=S)n(CC(=C)C)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I03 compound treatment 0.363 0.013 1.0 0.375 0.025 1.0 -1.0 -1.0 1973175 ChemDiv1_006163 CC(C)OC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c3ccc(Cl)c(c3)[N+](=O)[O-])c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I04 compound treatment 0.331 -0.019 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973176 ChemDiv1_006164 CSc1nc(NC(C)(C)C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I05 compound treatment 0.315 -0.035 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1214687 ChemDiv1_006165 CC(C)OC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I06 compound treatment 0.332 -0.018 -1.0 0.358 0.008 1.0 -1.0 -1.0 1197848 ChemDiv1_006166 CCOC(=O)c1c(CN(CC)CC)n(C)c2c1cc(OC(=O)C)c3n(nc(c4ccccc4)c32)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I07 compound treatment 0.343 -0.007 -1.0 0.362 0.012 1.0 -1.0 -1.0 1403348 ChemDiv1_006167 CCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccc(C)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I08 compound treatment 0.359 0.009 1.0 0.366 0.016 1.0 -1.0 -1.0 1585010 ChemDiv1_006168 COc1ccc(cc1OC)C(C#N)N2N=C(CC2c3ccccc3)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I09 compound treatment 0.345 -0.005 -1.0 0.364 0.014 1.0 -1.0 -1.0 1612433 ChemDiv1_006169 Cc1ccn2c(NC(=O)c3cccc(Br)c3)c(nc2c1)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I10 compound treatment 0.338 -0.012 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1580047 ChemDiv1_006170 Brc1ccccc1Nc2ncnc3n(Cc4ccccc4)ncc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I11 compound treatment 0.329 -0.021 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1927342 ChemDiv1_006171 CCc1cc(C)cc(OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c4ccccc24)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I12 compound treatment 0.35 0.0 -1.0 0.369 0.019 1.0 -1.0 -1.0 1485105 ChemDiv1_006172 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cccc(Br)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I13 compound treatment 0.344 -0.006 -1.0 0.361 0.011 1.0 -1.0 -1.0 1678216 ChemDiv1_006173 CC(C)(O)C#Cc1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I14 compound treatment 0.339 -0.011 -1.0 0.36 0.01 1.0 -1.0 -1.0 1176339 ChemDiv1_006174 CC1=C(C(C2=C(CCCC2=O)N1)c3coc4ccc(Cl)cc4c3=O)C(=O)OC5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I15 compound treatment 0.335 -0.015 -1.0 0.351 0.001 1.0 -1.0 -1.0 1236932 ChemDiv1_006175 CCSc1nc(NC(=O)N)c2c3CCC(Cc3sc2n1)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I16 compound treatment 0.358 0.008 1.0 0.364 0.014 1.0 -1.0 -1.0 1973177 ChemDiv1_006176 CCOc1cc(cc([N+](=O)[O-])c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I17 compound treatment 0.348 -0.002 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1376789 ChemDiv1_006177 NC(=O)CSc1nc2sc3CCCCCc3c2c(=O)n1c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I18 compound treatment 0.344 -0.006 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1635665 ChemDiv1_006178 CCOc1cc(ccc1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I19 compound treatment 0.368 0.018 1.0 0.378 0.028 1.0 -1.0 -1.0 1973178 ChemDiv1_006179 CCCCCOC(=O)CSc1nc(N)c2c3CC(C)(C)OCc3sc2n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I20 compound treatment 0.352 0.002 1.0 0.339 -0.011 -1.0 -1.0 -1.0 1481422 ChemDiv1_006180 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccccc5Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I21 compound treatment 0.338 -0.012 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1345533 ChemDiv1_006181 COc1ccc(cc1)n2c(SCC(=O)N)nc3sc4CCCCCc4c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I22 compound treatment 0.336 -0.014 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1423957 ChemDiv1_006182 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc2cccc(NC(=O)c3cccc(c3)S(=O)(=O)N(CC)CC)n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 I24 positive control 0.084 -0.266 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J01 compound treatment 0.375 0.025 1.0 0.369 0.019 1.0 -1.0 -1.0 1533251 ChemDiv1_006183 CC(=O)Oc1ccc(cc1)C(=O)Nc2cccc(c2)c3nc4ccc(NC(=O)c5ccc(OC(=O)C)cc5)cc4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J02 compound treatment 0.346 -0.004 -1.0 0.351 0.001 1.0 -1.0 -1.0 1364665 ChemDiv1_006184 COc1ccccc1N(CC(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)S(=O)(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J03 compound treatment 0.354 0.004 1.0 0.366 0.016 1.0 -1.0 -1.0 1973179 ChemDiv1_006185 COc1ccc(CN/C=C\2/C(=O)N(N=C2CSc3ccc(C)cc3)c4nc5ccccc5s4)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J04 compound treatment 0.349 -0.001 -1.0 0.36 0.01 1.0 -1.0 -1.0 1973180 ChemDiv1_006186 OC(=O)C1CCN(CC1)S(=O)(=O)c2cc(ccc2Br)C(=O)Nc3cccc(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J05 compound treatment 0.375 0.025 1.0 0.412 0.062 1.0 -1.0 -1.0 1130618 ChemDiv1_006187 CCOc1ccc2N(C(=O)CSc3nnc(N)s3)C(C)(C)c4ssc(=S)c4-c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J06 compound treatment 0.333 -0.017 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1269364 ChemDiv1_006188 COc1ccc(cc1)C(=O)Oc2cc(C=c3sc4nc5ccccc5n4c3=O)ccc2OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J07 compound treatment 0.371 0.021 1.0 0.368 0.018 1.0 -1.0 -1.0 1973181 ChemDiv1_006189 CCC(=O)N1C(C2=C(CC(CC2=O)c3cc(OC)c(OC)c(OC)c3)Nc4ccccc14)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J08 compound treatment 0.355 0.005 1.0 0.35 0.0 -1.0 -1.0 -1.0 1973182 ChemDiv1_006190 Fc1ccc(cc1)c2nc3ccccc3c(=O)n2OC(=O)/C=C/c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J09 compound treatment 0.369 0.019 1.0 0.377 0.027 1.0 -1.0 -1.0 1973183 ChemDiv1_006191 CCCC/1=NN(C(=O)\C1=C\NCc2ccc(OC)cc2)c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J10 compound treatment 0.38 0.03 1.0 0.379 0.029 1.0 -1.0 -1.0 1973184 ChemDiv1_006192 COc1cc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J11 compound treatment 0.342 -0.008 -1.0 0.353 0.003 1.0 -1.0 -1.0 1973185 ChemDiv1_006193 CC(C)CN1C(=O)/C(=C/c2c(nc3c(C)cccn3c2=O)N4CC(C)OC(C)C4)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J12 compound treatment 0.378 0.028 1.0 0.405 0.055 1.0 -1.0 -1.0 1973186 ChemDiv1_006194 CCn1c2ccccc2c3cc(NC(=O)Cn4c5ccccc5c(=O)c6ccccc46)ccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J13 compound treatment 0.339 -0.011 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1973187 ChemDiv1_006195 CCOc1nnc(c2ccc(C)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J14 compound treatment 0.34 -0.01 -1.0 0.354 0.004 1.0 -1.0 -1.0 1700689 ChemDiv1_006196 COC(=O)C1=C(N)OC2=C(C1c3cccc(C)c3)C(=O)CC(C)(C)C2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J15 compound treatment 0.314 -0.036 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1420065 ChemDiv1_006197 CCN(CC)CCOc1nnc(c2ccc(C)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J16 compound treatment 0.338 -0.012 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1924681 ChemDiv1_006198 COCCOC(=O)c1c(C)oc2ccc(OCC(=O)c3ccc(Br)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J17 compound treatment 0.359 0.009 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1536923 ChemDiv1_006199 CC(=O)Nc1cccc(Oc2nnc(c3ccc(C)cc3)c4ccccc24)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J18 compound treatment 0.346 -0.004 -1.0 0.355 0.005 1.0 -1.0 -1.0 1973188 ChemDiv1_006200 COCCOC(=O)c1c(C)oc2ccc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J19 compound treatment 0.342 -0.008 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1729995 ChemDiv1_006201 Cc1nc2cc(Nc3nnc(c4ccccc4)c5ccccc35)ccc2n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J20 compound treatment 0.346 -0.004 -1.0 0.356 0.006 1.0 -1.0 -1.0 1393926 ChemDiv1_006202 CCOC(=O)COc1cc2c(C(=O)OCC)c(oc2cc1Br)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J21 compound treatment 0.348 -0.002 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1407870 ChemDiv1_006203 Fc1cccc(c1)C(=O)Nc2nc3ccccc3n2CCOc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J22 compound treatment 0.312 -0.038 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1516219 ChemDiv1_006204 CC(C)OC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OCc3ccccc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 J24 positive control 0.083 -0.267 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K01 compound treatment 0.359 0.009 1.0 0.364 0.014 1.0 -1.0 -1.0 1973189 ChemDiv1_006205 COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(C(=O)c3sc4ccccc4c3Cl)c5c(C)cccc25)S1)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K02 compound treatment 0.329 -0.021 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1973190 ChemDiv1_006206 CCOC(=O)CSc1nc2sc3COC(C)(CC)Cc3c2c(=O)n1Cc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K03 compound treatment 0.35 0.0 -1.0 0.352 0.002 1.0 -1.0 -1.0 1583069 ChemDiv1_006207 CC(C)OC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c3ccc(Br)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K04 compound treatment 0.35 0.0 -1.0 0.358 0.008 1.0 -1.0 -1.0 1154521 ChemDiv1_006208 Cc1nc2scc(c3ccccc3)c2c(=O)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K05 compound treatment 0.312 -0.038 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1973191 ChemDiv1_006209 CC(C)OC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc(c3)[N+](=O)[O-])cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K06 compound treatment 0.377 0.027 1.0 0.409 0.059 1.0 -1.0 -1.0 1973192 ChemDiv1_006210 CCOC(=O)c1c(C)n(Cc2ccccc2)c3c1cc(O)c4n(nc(c5ccccc5)c43)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K07 compound treatment 0.32 -0.03 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1268068 ChemDiv1_006211 CCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K08 compound treatment 0.351 0.001 1.0 0.354 0.004 1.0 -1.0 -1.0 1925318 ChemDiv1_006212 Fc1c(F)c(c(F)c(F)c1N2C(=O)c3ccccc3S2(=O)=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K09 compound treatment 0.347 -0.003 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1722550 ChemDiv1_006213 CCCCC(=O)Nc1c(nc2cc(C)ccn12)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K10 compound treatment 0.359 0.009 1.0 0.358 0.008 1.0 -1.0 -1.0 1626695 ChemDiv1_006214 Brc1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K11 compound treatment 0.352 0.002 1.0 0.374 0.024 1.0 -1.0 -1.0 1613089 ChemDiv1_006215 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cccc(OC(=O)c5ccccc5F)c4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K12 compound treatment 0.365 0.015 1.0 0.387 0.037 1.0 -1.0 -1.0 1695998 ChemDiv1_006216 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(cc5)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K13 compound treatment 0.33 -0.02 -1.0 0.359 0.009 1.0 -1.0 -1.0 1973193 ChemDiv1_006217 CCOC(=O)CSc1nc(N)c2c3CCC(Cc3sc2n1)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K14 compound treatment 0.361 0.011 1.0 0.37 0.02 1.0 -1.0 -1.0 1668953 ChemDiv1_006218 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5coc6c(Cl)cc(Cl)cc6c5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K15 compound treatment 0.338 -0.012 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1530611 ChemDiv1_006219 COc1ccc(cc1)n2c(SCC(=O)O)nc3sc4CCCc4c3c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K16 compound treatment 0.396 0.046 1.0 0.393 0.043 1.0 -1.0 -1.0 1950497 ChemDiv1_006220 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4ccc(O)c(c4)[N+](=O)[O-])C(=O)OCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K17 compound treatment 0.349 -0.001 -1.0 0.367 0.017 1.0 -1.0 -1.0 1973194 ChemDiv1_006221 CC(C)CCSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K18 compound treatment 0.35 0.0 -1.0 0.365 0.015 1.0 -1.0 -1.0 1950426 ChemDiv1_006222 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccccc5[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K19 compound treatment 0.322 -0.028 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1362292 ChemDiv1_006223 CC(=C)Cn1c(SCC(=O)N)nc2sc3COC(C)(C)Cc3c2c1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K20 compound treatment 0.327 -0.023 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1135734 ChemDiv1_006224 CCOc1cc(cc(Br)c1O)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K21 compound treatment 0.337 -0.013 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1973195 ChemDiv1_006225 CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1CCc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K22 compound treatment 0.337 -0.013 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1643471 ChemDiv1_006226 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc2nnc(Cc3cccc(C)c3)s2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 K24 positive control 0.082 -0.268 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L01 compound treatment 0.415 0.065 1.0 0.438 0.088 1.0 -1.0 -1.0 1615447 ChemDiv1_006227 CC(=O)Oc1ccc(cc1)C(=O)Nc2cccc(c2)c3nc4cc(NC(=O)c5ccc(OC(=O)C)cc5)ccc4o3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L02 compound treatment 0.318 -0.032 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1973196 ChemDiv1_006228 FC(F)(F)c1cc(ccc1Cl)N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L03 compound treatment 0.368 0.018 1.0 0.378 0.028 1.0 -1.0 -1.0 1973197 ChemDiv1_006229 CCCCCCCCN/C=C\1/Sc2ccc(OCC)cc2C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L04 compound treatment 0.364 0.014 1.0 0.38 0.03 1.0 -1.0 -1.0 1973198 ChemDiv1_006230 Cc1ccc(cc1NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)S(=O)(=O)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L05 compound treatment 0.335 -0.015 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1131778 ChemDiv1_006231 O=C(CCN1C(=O)c2ccccc2C1=O)N3c4ccccc4Sc5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L06 compound treatment 0.392 0.042 1.0 0.396 0.046 1.0 -1.0 -1.0 1973199 ChemDiv1_006232 [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc3nc(NC(=O)C4CCCCC4)sc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L07 compound treatment 0.358 0.008 1.0 0.35 0.0 -1.0 -1.0 -1.0 1973200 ChemDiv1_006233 COc1ccc(cc1)C2CC(=O)C3=C(C2)OC(=C(C#N)C3c4cccc(Br)c4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L08 compound treatment 0.342 -0.008 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1973201 ChemDiv1_006234 O=c1oc(/C=C/c2ccccc2)nc3sc4CCCCc4c13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L09 compound treatment 0.36 0.01 1.0 0.368 0.018 1.0 -1.0 -1.0 1973202 ChemDiv1_006235 CC(C)N1C(=O)/C(=C/c2c(nc3c(C)cccn3c2=O)N4CCN(Cc5ccccc5)CC4)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L10 compound treatment 0.397 0.047 1.0 0.419 0.069 1.0 -1.0 -1.0 1973203 ChemDiv1_006236 COc1cc(OC)c(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L11 compound treatment 0.369 0.019 1.0 0.373 0.023 1.0 -1.0 -1.0 1973204 ChemDiv1_006237 CC(N1C(=O)/C(=C/c2c(nc3c(C)cccn3c2=O)N4CCCC4)/SC1=S)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L12 compound treatment 0.366 0.016 1.0 0.361 0.011 1.0 -1.0 -1.0 1973205 ChemDiv1_006238 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NCc4cc(OC)c(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L13 compound treatment 0.358 0.008 1.0 0.361 0.011 1.0 -1.0 -1.0 1637527 ChemDiv1_006239 CCOc1nnc(c2ccc(OC)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L14 compound treatment 0.333 -0.017 -1.0 0.351 0.001 1.0 -1.0 -1.0 1973206 ChemDiv1_006240 CCOC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(F)cc2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L15 compound treatment 0.324 -0.026 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1376814 ChemDiv1_006241 CCN(CC)CCOc1nnc(c2ccc(Cl)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L16 compound treatment 0.368 0.018 1.0 0.374 0.024 1.0 -1.0 -1.0 1488976 ChemDiv1_006242 Oc1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1CN5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L17 compound treatment 0.355 0.005 1.0 0.358 0.008 1.0 -1.0 -1.0 1151091 ChemDiv1_006243 CC(=O)Nc1cccc(Oc2nnc(c3ccc(Cl)cc3)c4ccccc24)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L18 compound treatment 0.386 0.036 1.0 0.394 0.044 1.0 -1.0 -1.0 1973207 ChemDiv1_006244 COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(cc3)c4cnc(o4)c5ccccc5)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L19 compound treatment 0.34 -0.01 -1.0 0.353 0.003 1.0 -1.0 -1.0 1208565 ChemDiv1_006245 COc1ccc(cc1)c2nnc(Nc3ccc4n(C)cnc4c3)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L20 compound treatment 0.337 -0.013 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1924846 ChemDiv1_006246 COC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccc(cc3)[N+](=O)[O-])cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L21 compound treatment 0.348 -0.002 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1138961 ChemDiv1_006247 Fc1ccc(cc1)C(=O)Nc2nc3ccccc3n2CCOc4ccccc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L22 compound treatment 0.351 0.001 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1925014 ChemDiv1_006248 COC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(cc3)[N+](=O)[O-])cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 L24 positive control 0.088 -0.262 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M01 compound treatment 0.376 0.026 1.0 0.363 0.013 1.0 -1.0 -1.0 1973208 ChemDiv1_006249 CC1CC(N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc4)c5ccccc5N1C(=O)CN6C(=O)c7ccccc7C6=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M02 compound treatment 0.332 -0.018 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973209 ChemDiv1_006250 CCC1(C)Cc2c(CO1)sc3nc(SCC(=O)O)n(c4ccccc4)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M03 compound treatment 0.359 0.009 1.0 0.356 0.006 1.0 -1.0 -1.0 1720942 ChemDiv1_006251 CC(C)OC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M04 compound treatment 0.332 -0.018 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1973210 ChemDiv1_006252 CCCN1C(=O)C(CC(=O)C)(OC(=O)C)c2ccccc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M05 compound treatment 0.318 -0.032 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1250181 ChemDiv1_006253 CC(C)OC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M06 compound treatment 0.371 0.021 1.0 0.405 0.055 1.0 -1.0 -1.0 1464524 ChemDiv1_006254 CCOC(=O)c1c(C)[nH]c2c1cc(O)c3n(nc(c4ccccc4)c23)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M07 compound treatment 0.343 -0.007 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1485619 ChemDiv1_006255 CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc(CC)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M08 compound treatment 0.342 -0.008 -1.0 0.353 0.003 1.0 -1.0 -1.0 1973211 ChemDiv1_006256 FC(F)(F)c1cc(nc(SCC(=O)N2CCOCC2)c1C#N)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M09 compound treatment 0.334 -0.016 -1.0 0.356 0.006 1.0 -1.0 -1.0 1333769 ChemDiv1_006257 Brc1ccccc1C(=O)Nc2c(nc3ccccn23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M10 compound treatment 0.357 0.007 1.0 0.354 0.004 1.0 -1.0 -1.0 1614418 ChemDiv1_006258 O=c1oc(nc2sc3CCCCCc3c12)c4cccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M11 compound treatment 0.374 0.024 1.0 0.379 0.029 1.0 -1.0 -1.0 1443565 ChemDiv1_006259 CCCCc1ccc(cc1)C(=O)On2c(nc3ccccc3c2=O)c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M12 compound treatment 0.335 -0.015 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1466674 ChemDiv1_006260 Cc1ccc2occ(C3Nc4cc(C)c(C)cc4NC5=C3C(=O)CC(C)(C)C5)c(=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M13 compound treatment 0.354 0.004 1.0 0.361 0.011 1.0 -1.0 -1.0 1691214 ChemDiv1_006261 COC(=O)CSc1nc(N)c2c3CCC(Cc3sc2n1)C(C)(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M14 compound treatment 0.36 0.01 1.0 0.377 0.027 1.0 -1.0 -1.0 1950435 ChemDiv1_006262 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(ccc5Cl)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M15 compound treatment 0.381 0.031 1.0 0.391 0.041 1.0 -1.0 -1.0 1973212 ChemDiv1_006263 COC(=O)CSc1nnc2n(c3ccc(OC)cc3)c(=O)c4c5CCCCCc5sc4n12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M16 compound treatment 0.325 -0.025 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973213 ChemDiv1_006264 CCOc1cc(ccc1O)C2NC(=O)NC(=C2C(=O)OCCOc3ccccc3)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M17 compound treatment 0.363 0.013 1.0 0.372 0.022 1.0 -1.0 -1.0 1973214 ChemDiv1_006265 CCCCCOC(=O)CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1CC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M18 compound treatment 0.36 0.01 1.0 0.353 0.003 1.0 -1.0 -1.0 1950470 ChemDiv1_006266 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cccc(c5)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M19 compound treatment 0.332 -0.018 -1.0 0.325 -0.025 -1.0 -1.0 -1.0 1973215 ChemDiv1_006267 CCOC(=O)CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M20 compound treatment 0.343 -0.007 -1.0 0.36 0.01 1.0 -1.0 -1.0 1973216 ChemDiv1_006268 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(OC)c(OC)c5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M21 compound treatment 0.338 -0.012 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1933595 ChemDiv1_006269 CN1CCc2c(C1)sc3[nH]c(=S)n(CCc4ccccc4)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M22 compound treatment 0.347 -0.003 -1.0 0.351 0.001 1.0 -1.0 -1.0 1680463 ChemDiv1_006270 Clc1ccc(OCc2nnc(NC(=O)c3cccc(c3)S(=O)(=O)N4CCOCC4)s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 M24 positive control 0.086 -0.264 -1.0 0.09 -0.26 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N01 compound treatment 0.359 0.009 1.0 0.358 0.008 1.0 -1.0 -1.0 1169903 ChemDiv1_006271 COc1ccccc1NC(=O)CSc2nc3CCCCc3cc2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N02 compound treatment 0.346 -0.004 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1679313 ChemDiv1_006272 CCOc1ccccc1N(CC(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)S(=O)(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N03 compound treatment 0.583 0.233 1.0 0.542 0.192 1.0 -1.0 -1.0 1973217 ChemDiv1_006273 CCOc1ccc2S/C(=C/NCCCOC)/C(=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N04 compound treatment 0.386 0.036 1.0 0.41 0.06 1.0 -1.0 -1.0 1973218 ChemDiv1_006274 COc1ccc(/C=C/2\SC(=N)NC2=O)cc1OCc3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N05 compound treatment 0.336 -0.014 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973219 ChemDiv1_006275 CC(N1C(=O)C2CCCCC2C1=O)C(=O)N3c4ccccc4C(C)(CC3(C)C)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N06 compound treatment 0.678 0.328 1.0 0.628 0.278 1.0 -1.0 -1.0 1323093 ChemDiv1_006276 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)O)cc3)c(=O)n2C1c4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N07 compound treatment 0.349 -0.001 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1660389 ChemDiv1_006277 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)OC(=C(C#N)C3c4ccccc4)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N08 compound treatment 0.409 0.059 1.0 0.401 0.051 1.0 -1.0 -1.0 1973220 ChemDiv1_006278 O=C(Cn1c2ccccc2c(=O)c3ccccc13)Nc4ccc(Oc5ccccc5)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N09 compound treatment 0.341 -0.009 -1.0 0.352 0.002 1.0 -1.0 -1.0 1973221 ChemDiv1_006279 COCCCN1C(=O)/C(=C/c2c(nc3c(C)cccn3c2=O)N4CCN(Cc5ccccc5)CC4)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N10 compound treatment 0.343 -0.007 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1322065 ChemDiv1_006280 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NCc4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N11 compound treatment 0.331 -0.019 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1973222 ChemDiv1_006281 Cc1cccn2c(=O)c(/C=C/3\SC(=S)N(CCc4ccccc4)C3=O)c(nc12)N5CCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N12 compound treatment 0.376 0.026 1.0 0.377 0.027 1.0 -1.0 -1.0 1973223 ChemDiv1_006282 COc1cc(CNn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N13 compound treatment 0.34 -0.01 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1973224 ChemDiv1_006283 CCCOc1nnc(c2ccc(C)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N14 compound treatment 0.51 0.16 1.0 0.531 0.181 1.0 -1.0 -1.0 1723325 ChemDiv1_006284 Oc1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1CN5CCCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N15 compound treatment 0.319 -0.031 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1589686 ChemDiv1_006285 CCN(CC)CCOc1nnc(c2ccc(OC)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N16 compound treatment 0.355 0.005 1.0 0.358 0.008 1.0 -1.0 -1.0 1924822 ChemDiv1_006286 COCCOC(=O)c1c(C)oc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N17 compound treatment 0.347 -0.003 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1163825 ChemDiv1_006287 COc1ccc(cc1)c2nnc(Oc3cccc(NC(=O)C)c3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N18 compound treatment 0.349 -0.001 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1925060 ChemDiv1_006288 COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3sc4ccccc4c3Cl)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N19 compound treatment 0.338 -0.012 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1403706 ChemDiv1_006289 CCOC(=O)Cc1nnc(Nc2ccc(C)cc2C)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N20 compound treatment 0.344 -0.006 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1265136 ChemDiv1_006290 COC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccc(Cl)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N21 compound treatment 0.343 -0.007 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973225 ChemDiv1_006291 Cc1ccc(cc1)N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c4sc5ccccc5c4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N22 compound treatment 0.338 -0.012 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1489880 ChemDiv1_006292 COC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OCc3ccccc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 N24 positive control 0.084 -0.266 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O01 compound treatment 0.336 -0.014 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1304134 ChemDiv1_006293 CC(N1C(=O)c2ccccc2C1=O)C(=O)N3C(C)CC(Nc4ccccc4)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O02 compound treatment 0.336 -0.014 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1418791 ChemDiv1_006294 O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c4c5CCCCc5sc4n12)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O03 compound treatment 0.317 -0.033 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1669254 ChemDiv1_006295 CC(C)OC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c3ccc(F)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O04 compound treatment 0.4 0.05 1.0 0.377 0.027 1.0 -1.0 -1.0 1446958 ChemDiv1_006296 O=C1NCCc2c1[nH]c3ccc(cc23)C4CCCCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O05 compound treatment 0.33 -0.02 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973226 ChemDiv1_006297 COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(c3)[N+](=O)[O-])cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O06 compound treatment 0.335 -0.015 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1333062 ChemDiv1_006298 CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)C)c3n(nc(c4ccccc4)c32)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O07 compound treatment 0.329 -0.021 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1569005 ChemDiv1_006299 CCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccc(CC)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O08 compound treatment 0.369 0.019 1.0 0.375 0.025 1.0 -1.0 -1.0 1973227 ChemDiv1_006300 COc1ccc(cc1)c2cc(nc(SCC(=O)C)c2C#N)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O09 compound treatment 0.334 -0.016 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1413740 ChemDiv1_006301 OC(=O)c1ccccc1C(=O)Nc2c(nc3ccccn23)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O10 compound treatment 0.332 -0.018 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1926925 ChemDiv1_006302 Clc1ccccc1c2nc3sc4CCCCCc4c3c(=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O11 compound treatment 0.363 0.013 1.0 0.368 0.018 1.0 -1.0 -1.0 1973228 ChemDiv1_006303 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2OC(=O)/C=C/c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O12 compound treatment 0.382 0.032 1.0 0.4 0.05 1.0 -1.0 -1.0 1289428 ChemDiv1_006304 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(OC(=O)C)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O13 compound treatment 0.428 0.078 1.0 0.48 0.13 1.0 -1.0 -1.0 1973229 ChemDiv1_006305 CN1CCc2c(C1)sc3[nH]c(=S)n(C4CCCCC4)c(=O)c23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O14 compound treatment 0.335 -0.015 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1524157 ChemDiv1_006306 CCOC(=O)c1c(C)c(sc1NC(=O)Cc2ccc(Cl)cc2)C(=O)Nc3ccccc3OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O15 compound treatment 0.409 0.059 1.0 0.432 0.082 1.0 -1.0 -1.0 1932186 ChemDiv1_006307 COc1ccc(cc1)n2c(=O)c3c4CCN(Cc5ccccc5)Cc4sc3[nH]c2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O16 compound treatment 0.35 0.0 -1.0 0.369 0.019 1.0 -1.0 -1.0 1657539 ChemDiv1_006308 CC1=C(C(NC(=O)N1)c2ccccc2OCc3ccccc3)C(=O)OCc4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O17 compound treatment 0.377 0.027 1.0 0.375 0.025 1.0 -1.0 -1.0 1973230 ChemDiv1_006309 CCOC(=O)CSc1nc(SCC(=O)OCC)c2c3CC(C)(C)OCc3sc2n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O18 compound treatment 0.36 0.01 1.0 0.369 0.019 1.0 -1.0 -1.0 1973231 ChemDiv1_006310 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(OC)cc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O19 compound treatment 0.347 -0.003 -1.0 0.351 0.001 1.0 -1.0 -1.0 1973232 ChemDiv1_006311 CCSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O20 compound treatment 0.347 -0.003 -1.0 0.352 0.002 1.0 -1.0 -1.0 1432771 ChemDiv1_006312 COc1cc(Nc2nc3nonc3nc2N4CCCCC4C)c(OC)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O21 compound treatment 0.35 0.0 -1.0 0.353 0.003 1.0 -1.0 -1.0 1374638 ChemDiv1_006313 COC(=O)CSc1nc2sc3CCCc3c2c(=O)n1c4ccc(OC)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O22 compound treatment 0.35 0.0 -1.0 0.355 0.005 1.0 -1.0 -1.0 1058931 ChemDiv1_006314 CC(=O)N1C(=O)C2(Nc3ccccc3N2)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 O24 positive control 0.088 -0.262 -1.0 0.1 -0.25 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P01 compound treatment 0.359 0.009 1.0 0.335 -0.015 -1.0 -1.0 -1.0 1973233 ChemDiv1_006315 COc1ccccc1NC(=O)CSc2nc3CCCCCc3cc2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P02 compound treatment 0.357 0.007 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1604831 ChemDiv1_006316 COc1ccc(cc1)n2nc3cc(C)c(NC(=O)c4ccc5OCCOc5c4)cc3n2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P03 compound treatment 0.355 0.005 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1973234 ChemDiv1_006317 CCCCCCCCCN/C=C\1/Sc2ccc(OCC)cc2C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P04 compound treatment 0.442 0.092 1.0 0.438 0.088 1.0 -1.0 -1.0 1973235 ChemDiv1_006318 CCOc1cc(/C=C/2\SC(=N)NC2=O)ccc1OCc3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P05 compound treatment 0.356 0.006 1.0 0.365 0.015 1.0 -1.0 -1.0 1543744 ChemDiv1_006319 O=C(CCN1C(=O)c2ccccc2C1=O)N3CCCc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P06 compound treatment 0.46 0.11 1.0 0.463 0.113 1.0 -1.0 -1.0 1973236 ChemDiv1_006320 Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1c5ccc(cc5)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P07 compound treatment 0.408 0.058 1.0 0.411 0.061 1.0 -1.0 -1.0 1973237 ChemDiv1_006321 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)OC(=C(C#N)C3c4ccc(cc4)[N+](=O)[O-])N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P08 compound treatment 0.373 0.023 1.0 0.382 0.032 1.0 -1.0 -1.0 1973238 ChemDiv1_006322 FC(F)(F)Oc1ccc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P09 compound treatment 0.377 0.027 1.0 0.384 0.034 1.0 -1.0 -1.0 1973239 ChemDiv1_006323 CC(N1C(=O)/C(=C/c2c(nc3ccccn3c2=O)N4CCC(C)CC4)/SC1=S)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P10 compound treatment 0.375 0.025 1.0 0.392 0.042 1.0 -1.0 -1.0 1565833 ChemDiv1_006324 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NCc4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P11 compound treatment 0.344 -0.006 -1.0 0.36 0.01 1.0 -1.0 -1.0 1973240 ChemDiv1_006325 CC(C)N1C(=O)/C(=C/c2c(nc3c(C)cccn3c2=O)N(C)Cc4ccccc4)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P12 compound treatment 0.375 0.025 1.0 0.407 0.057 1.0 -1.0 -1.0 1589589 ChemDiv1_006326 COc1ccc(OC)c(CNn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P13 compound treatment 0.347 -0.003 -1.0 0.375 0.025 1.0 -1.0 -1.0 1973241 ChemDiv1_006327 CCCOc1nnc(c2ccc(Cl)cc2)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P14 compound treatment 0.383 0.033 1.0 0.405 0.055 1.0 -1.0 -1.0 1173746 ChemDiv1_006328 CC1CCCCN1Cc2c(O)ccc3cc(c4nc5ccccc5s4)c(=O)oc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P15 compound treatment 0.35 0.0 -1.0 0.368 0.018 1.0 -1.0 -1.0 1137124 ChemDiv1_006329 COc1ccc(cc1)c2nnc(Sc3nc4ccccc4o3)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P16 compound treatment 0.355 0.005 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1973242 ChemDiv1_006330 COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Br)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P17 compound treatment 0.369 0.019 1.0 0.367 0.017 1.0 -1.0 -1.0 1568255 ChemDiv1_006331 COc1ccc(cc1)c2nnc(Oc3ccc(C)cc3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P18 compound treatment 0.36 0.01 1.0 0.384 0.034 1.0 -1.0 -1.0 1639090 ChemDiv1_006332 O=c1oc2cc(OCC#N)ccc2cc1c3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P19 compound treatment 0.362 0.012 1.0 0.374 0.024 1.0 -1.0 -1.0 1262359 ChemDiv1_006333 CCOC(=O)Cc1nnc(Nc2cc(C)ccc2C)c3ccccc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P20 compound treatment 0.358 0.008 1.0 0.358 0.008 1.0 -1.0 -1.0 1217075 ChemDiv1_006334 COC(=O)c1c(C)oc2cc(Br)c(OCC(=O)c3ccc(OC)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P21 compound treatment 0.373 0.023 1.0 0.381 0.031 1.0 -1.0 -1.0 1943504 ChemDiv1_006335 OC(=O)c1cccnc1SC2CC(=O)N(C2=O)c3ccc(cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P22 compound treatment 0.345 -0.005 -1.0 0.355 0.005 1.0 -1.0 -1.0 1646668 ChemDiv1_006336 CC(C)OC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OC(C)(C)C)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.604 P24 positive control 0.089 -0.261 -1.0 0.095 -0.255 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A01 compound treatment 0.359 0.009 1.0 0.36 0.01 1.0 -1.0 -1.0 1259095 ChemDiv1_006337 CCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OC(C)(C)C)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A02 compound treatment 0.414 0.064 1.0 0.414 0.064 1.0 -1.0 -1.0 1252103 ChemDiv1_006338 COc1ccc(COC(=O)C2=C(C)NC3=C(C2c4coc5ccc(C)cc5c4=O)C(=O)CCC3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A03 compound treatment 0.352 0.002 1.0 0.358 0.008 1.0 -1.0 -1.0 1437380 ChemDiv1_006339 CCOc1ccc2nc(SCc3c(nnn3c4nonc4N)C(=O)OC)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A04 compound treatment 0.347 -0.003 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1631298 ChemDiv1_006340 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccccc2C)C(=O)Nc3ccccc3C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A05 compound treatment 0.356 0.006 1.0 0.358 0.008 1.0 -1.0 -1.0 1973243 ChemDiv1_006341 COc1cc(/C=C/2\C(=NN(C2=O)c3ccccc3)C)ccc1OS(=O)(=O)c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A06 compound treatment 0.35 0.0 -1.0 0.351 0.001 1.0 -1.0 -1.0 1151558 ChemDiv1_006342 Fc1ccc(Br)cc1C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A07 compound treatment 0.342 -0.008 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1973244 ChemDiv1_006343 COc1ccccc1OCCOc2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A08 compound treatment 0.39 0.04 1.0 0.391 0.041 1.0 -1.0 -1.0 1973245 ChemDiv1_006344 COC(=O)c1ccc(cc1)n2c(C)cc(/C=C\3/C(=O)NC(=O)N(C3=O)c4ccc5OCOc5c4)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A09 compound treatment 0.357 0.007 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1664018 ChemDiv1_006345 CCC(=O)N1C(C2=C(CC(CC2=O)c3ccccc3)Nc4ccccc14)c5ccc6OCOc6c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A10 compound treatment 0.346 -0.004 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973246 ChemDiv1_006346 CC(=O)Nc1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A11 compound treatment 0.339 -0.011 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1676253 ChemDiv1_006347 CC(=O)Nc1nc2[nH]c(C)c(Cc3ccccc3)c(=O)n2n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A12 compound treatment 0.351 0.001 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1973247 ChemDiv1_006348 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cc(Cl)ccc4O)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A13 compound treatment 0.351 0.001 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973248 ChemDiv1_006349 CCOc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)ccc1OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A14 compound treatment 0.34 -0.01 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1973249 ChemDiv1_006350 Clc1cccc(c1)c2ccc(/C=C/3\SC(=N)N(C3=O)c4nccs4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A15 compound treatment 0.346 -0.004 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1223853 ChemDiv1_006351 Cn1cnnc1Sc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc4cc5OCOc5cc4Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A16 compound treatment 0.346 -0.004 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1573956 ChemDiv1_006352 Cc1cccc(NC(=O)c2ccc3OCCOc3c2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A17 compound treatment 0.36 0.01 1.0 0.361 0.011 1.0 -1.0 -1.0 1933212 ChemDiv1_006353 [O-][N+](=O)c1ccccc1c2ccc(/C=C/3\SC(=N)N(C3=O)c4ccc5OCOc5c4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A18 compound treatment 0.348 -0.002 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1642975 ChemDiv1_006354 Cn1c(Sc2nc3ccccc3n2CC(=O)N4CCOCC4)nc5n(C)c(=O)n(C)c(=O)c15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A19 compound treatment 0.342 -0.008 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1941979 ChemDiv1_006355 [O-][N+](=O)c1ccc(cc1)c2ccc(/C=C/3\SC(=N)N(C3=O)c4ccc5OCOc5c4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A20 compound treatment 0.333 -0.017 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1973250 ChemDiv1_006356 Brc1cc(/C=C/2\NC(=S)NC2=O)cc(Br)c1OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A21 compound treatment 0.341 -0.009 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973251 ChemDiv1_006357 COc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)c(Br)cc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A22 compound treatment 0.351 0.001 1.0 0.358 0.008 1.0 -1.0 -1.0 1324877 ChemDiv1_006358 COc1ccc(Cl)cc1NC(=O)CSc2nc3ccccc3[nH]2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 A24 positive control 0.078 -0.272 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B01 compound treatment 0.374 0.024 1.0 0.379 0.029 1.0 -1.0 -1.0 1132172 ChemDiv1_006359 COc1ccc2[nH]c(SCC(=O)Nc3cc(Cl)ccc3OC)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B02 compound treatment 0.308 -0.042 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1150303 ChemDiv1_006360 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(COc4ccc(F)cc4)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B03 compound treatment 0.347 -0.003 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1587603 ChemDiv1_006361 Cc1nnc(SCC(=O)Nc2cc(NC(=O)CSc3nnc(C)s3)cc(c2)C(=O)O)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B04 compound treatment 0.405 0.055 1.0 0.405 0.055 1.0 -1.0 -1.0 1464077 ChemDiv1_006362 Clc1ccc(NC(=O)CC2SC(=O)NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B05 compound treatment 0.361 0.011 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1360101 ChemDiv1_006363 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2OC(=O)c3ccc(Cl)cc3)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B06 compound treatment 0.355 0.005 1.0 0.36 0.01 1.0 -1.0 -1.0 1645183 ChemDiv1_006364 COc1ccc(cc1CSc2nc3ccccc3o2)C4C5=C(CC(C)(C)CC5=O)OC6=C4C(=O)CC(C)(C)C6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B07 compound treatment 0.335 -0.015 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1466415 ChemDiv1_006365 CCNc1nc(NC(C)C)nc(Oc2ccccc2C(=O)OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B08 compound treatment 0.353 0.003 1.0 0.369 0.019 1.0 -1.0 -1.0 1573223 ChemDiv1_006366 CCOc1cc(ccc1OCc2ccccc2Cl)C3Nc4ccccc4C(=O)N3Cc5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B09 compound treatment 0.382 0.032 1.0 0.362 0.012 1.0 -1.0 -1.0 1410139 ChemDiv1_006367 Clc1ccc(cc1)c2nnc(Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B10 compound treatment 0.337 -0.013 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1341472 ChemDiv1_006368 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(COc4cccc(OC)c4)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B11 compound treatment 0.376 0.026 1.0 0.359 0.009 1.0 -1.0 -1.0 1973252 ChemDiv1_006369 COCc1cc(C)nc2sc(c(NC(=O)c3ccccc3)c12)c4ccc(o4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B12 compound treatment 0.345 -0.005 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1155668 ChemDiv1_006370 COc1cc(CNn2c(nc3ccccc3c2=O)c4ccc(Br)cc4)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B13 compound treatment 0.349 -0.001 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1973253 ChemDiv1_006371 O=C(CCN1C(=O)/C(=C/c2ccc3OCOc3c2)/SC1=S)N4CCCc5ccccc45 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B14 compound treatment 0.345 -0.005 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1973254 ChemDiv1_006372 Clc1cccc(c1)N2CCN(CC2)C(=O)Cn3c4ccccc4c(=O)c5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B15 compound treatment 0.342 -0.008 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973255 ChemDiv1_006373 CC(C)Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B16 compound treatment 0.366 0.016 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973256 ChemDiv1_006374 [O-][N+](=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)cc(Oc5ccc(F)cc5F)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B17 compound treatment 0.34 -0.01 -1.0 0.367 0.017 1.0 -1.0 -1.0 1973257 ChemDiv1_006375 CCOC(=O)COc1ccc2c(=O)c(c3ccc(OC)c(OC)c3)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B18 compound treatment 0.342 -0.008 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1628108 ChemDiv1_006376 Fc1cccc(Cl)c1Cc2nc3ccccc3[nH]c2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B19 compound treatment 0.378 0.028 1.0 0.366 0.016 1.0 -1.0 -1.0 1973258 ChemDiv1_006377 CCN(CC)Cc1c(O)ccc2c(=O)c(c3ccc(OC)c(OC)c3)c(oc12)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B20 compound treatment 0.336 -0.014 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1302671 ChemDiv1_006378 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nc(cs2)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B21 compound treatment 0.348 -0.002 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973259 ChemDiv1_006379 COc1ccc(cc1OC)c2c(oc3c(CN4CC(C)OC(C)C4)c(O)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B22 compound treatment 0.336 -0.014 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1973260 ChemDiv1_006380 Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(Cl)cccc2Cl)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 B24 positive control 0.077 -0.273 -1.0 0.078 -0.272 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C01 compound treatment 0.364 0.014 1.0 0.36 0.01 1.0 -1.0 -1.0 1924863 ChemDiv1_006381 COCCOC(=O)c1c(C)oc2ccc(OCc3ccccc3Br)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C02 compound treatment 0.375 0.025 1.0 0.37 0.02 1.0 -1.0 -1.0 1634153 ChemDiv1_006382 CCCOc1ccc(cc1OC)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C03 compound treatment 0.345 -0.005 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973261 ChemDiv1_006383 COC(=O)c1nnn(c1CSc2nc3cc(ccc3[nH]2)[N+](=O)[O-])c4nonc4N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C04 compound treatment 0.337 -0.013 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1426575 ChemDiv1_006384 COc1ccc(cc1Br)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C05 compound treatment 0.348 -0.002 -1.0 0.361 0.011 1.0 -1.0 -1.0 1973262 ChemDiv1_006385 CCOc1cc(/C=C/2\C(=NN(C2=O)c3ccccc3)C)ccc1OS(=O)(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C06 compound treatment 0.338 -0.012 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1256855 ChemDiv1_006386 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2C)C(=O)Nc3ccccc3C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C07 compound treatment 0.417 0.067 1.0 0.409 0.059 1.0 -1.0 -1.0 1973263 ChemDiv1_006387 COc1cc(/C=C/2\C(=NN(C2=O)c3ccccc3)C)ccc1OCCOCCOc4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C08 compound treatment 0.347 -0.003 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1973264 ChemDiv1_006388 Cc1cc(ccc1Br)N2C(=O)NC(=O)/C(=C/c3ccccc3OCC#N)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C09 compound treatment 0.342 -0.008 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1251189 ChemDiv1_006389 Cc1oc2c(cc(NS(=O)(=O)c3ccc(Cl)cc3)c4ccccc24)c1C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C10 compound treatment 0.364 0.014 1.0 0.357 0.007 1.0 -1.0 -1.0 1973265 ChemDiv1_006390 [O-][N+](=O)c1cc2OCOc2cc1/C=C/3\SC(=N)N(C3=O)c4ccc(F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C11 compound treatment 0.407 0.057 1.0 0.402 0.052 1.0 -1.0 -1.0 1973266 ChemDiv1_006391 CC(=O)/N=C/1\NC(=O)\C(=C\c2cc([N+](=O)[O-])c(cc2N3CCOCC3)N4CCOCC4)\S1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C12 compound treatment 0.418 0.068 1.0 0.419 0.069 1.0 -1.0 -1.0 1973267 ChemDiv1_006392 CCOc1cc(/C=C/2\Sc3ccccc3C2=O)cc(Br)c1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C13 compound treatment 0.341 -0.009 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1973268 ChemDiv1_006393 COc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)ccc1OCc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C14 compound treatment 0.333 -0.017 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1736578 ChemDiv1_006394 Clc1c(sc2ccccc12)C(=O)Nc3cccc(c3)c4nc5ncccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C15 compound treatment 0.348 -0.002 -1.0 0.351 0.001 1.0 -1.0 -1.0 1973269 ChemDiv1_006395 CCOc1ccc(/C=C/2\SC(=N)N(C2=O)c3ccc4OCOc4c3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C16 compound treatment 0.34 -0.01 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1221744 ChemDiv1_006396 Clc1ccc(NC(=O)c2ccc3OCCOc3c2)nc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C17 compound treatment 0.821 0.471 1.0 0.809 0.459 1.0 -1.0 -1.0 1933192 ChemDiv1_006397 OC(=O)c1ccccc1c2ccc(/C=C/3\SC(=N)N(C3=O)c4ccc5OCOc5c4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C18 compound treatment 0.333 -0.017 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1973270 ChemDiv1_006398 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C19 compound treatment 0.338 -0.012 -1.0 0.353 0.003 1.0 -1.0 -1.0 1933239 ChemDiv1_006399 Fc1ccc(cc1)c2ccc(/C=C/3\SC(=N)N(C3=O)c4ccc5OCOc5c4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C20 compound treatment 0.335 -0.015 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1524537 ChemDiv1_006400 Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3o2)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C21 compound treatment 0.339 -0.011 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1973271 ChemDiv1_006401 CC(=O)/N=C/1\NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)\S1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C22 compound treatment 0.337 -0.013 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1704070 ChemDiv1_006402 Clc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 C24 positive control 0.079 -0.271 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D01 compound treatment 0.368 0.018 1.0 0.408 0.058 1.0 -1.0 -1.0 1973272 ChemDiv1_006403 COc1ccc2[nH]c(SCC(=O)Nc3ccc(Br)cc3)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D02 compound treatment 0.359 0.009 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1621626 ChemDiv1_006404 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(COc4ccc(Cl)cc4)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D03 compound treatment 0.365 0.015 1.0 0.362 0.012 1.0 -1.0 -1.0 1281074 ChemDiv1_006405 COc1ccc2[nH]c(SCC(=O)Nc3cccc(NC(=O)CSc4nc5cc(OC)ccc5[nH]4)n3)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D04 compound treatment 0.444 0.094 1.0 0.447 0.097 1.0 -1.0 -1.0 1195053 ChemDiv1_006406 Cc1cccc(NC(=O)CC2SC(=O)NC2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D05 compound treatment 0.357 0.007 1.0 0.355 0.005 1.0 -1.0 -1.0 1260335 ChemDiv1_006407 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2OC(=O)c3ccccc3Cl)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D06 compound treatment 0.345 -0.005 -1.0 0.351 0.001 1.0 -1.0 -1.0 1520079 ChemDiv1_006408 COc1ccc(cc1Cn2nnc3ccccc23)C4C5=C(CC(C)(C)CC5=O)OC6=C4C(=O)CC(C)(C)C6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D07 compound treatment 0.341 -0.009 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1436118 ChemDiv1_006409 CCNc1nc(NCC)nc(Oc2ccccc2C(=O)OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D08 compound treatment 0.32 -0.03 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1262884 ChemDiv1_006410 COc1ccc(cc1COc2ccc(F)cc2)C3Nc4ccccc4C(=O)N3Cc5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D09 compound treatment 0.355 0.005 1.0 0.351 0.001 1.0 -1.0 -1.0 1124802 ChemDiv1_006411 COc1ccc(cc1)c2nnc(Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D10 compound treatment 0.331 -0.019 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1531889 ChemDiv1_006412 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(COc4cccc(C)c4C)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D11 compound treatment 0.366 0.016 1.0 0.37 0.02 1.0 -1.0 -1.0 1232540 ChemDiv1_006413 COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D12 compound treatment 0.364 0.014 1.0 0.356 0.006 1.0 -1.0 -1.0 1973273 ChemDiv1_006414 COc1cc(ccc1NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D13 compound treatment 0.338 -0.012 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1973274 ChemDiv1_006415 O=C(CCN1C(=O)/C(=C/c2ccc3OCOc3c2)/SC1=S)N4CCC(Cc5ccccc5)CC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D14 compound treatment 0.387 0.037 1.0 0.385 0.035 1.0 -1.0 -1.0 1973275 ChemDiv1_006416 CCOC(=O)C(NC(=O)Cn1c2ccccc2c(=O)c3ccccc13)C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D15 compound treatment 0.402 0.052 1.0 0.408 0.058 1.0 -1.0 -1.0 1973276 ChemDiv1_006417 O=C(CCN1C(=O)/C(=C/c2ccc3OCOc3c2)/SC1=S)Nc4nc(cs4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D16 compound treatment 0.342 -0.008 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1973277 ChemDiv1_006418 Clc1cc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)ccc1Oc5ccc6ccccc6c5Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D17 compound treatment 0.342 -0.008 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1973278 ChemDiv1_006419 CCOC(=O)C(C)Oc1ccc2c(=O)c(c3ccc(OC)c(OC)c3)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D18 compound treatment 0.334 -0.016 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1736638 ChemDiv1_006420 Cc1cc2nc(Cc3ccc(Cl)cc3Cl)c(=O)[nH]c2cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D19 compound treatment 0.359 0.009 1.0 0.353 0.003 1.0 -1.0 -1.0 1973279 ChemDiv1_006421 COCCN(CCOC)Cc1c(O)ccc2c(=O)c(c3ccc(OC)c(OC)c3)c(oc12)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D20 compound treatment 0.329 -0.021 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1396891 ChemDiv1_006422 O=C(CSc1nc2ccccc2o1)N3CCc4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D21 compound treatment 0.319 -0.031 -1.0 0.322 -0.028 -1.0 -1.0 -1.0 1313887 ChemDiv1_006423 O=C(Nc1nc(cs1)c2ccccc2)C3COc4ccccc4O3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D22 compound treatment 0.333 -0.017 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1973280 ChemDiv1_006424 CCOc1ccc(OCC)c(c1)N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3OC)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 D24 positive control 0.08 -0.27 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E01 compound treatment 0.367 0.017 1.0 0.364 0.014 1.0 -1.0 -1.0 1925059 ChemDiv1_006425 COCCOC(=O)c1c(C)oc2ccc(OCc3cccc(Br)c3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E02 compound treatment 0.335 -0.015 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1552131 ChemDiv1_006426 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Br)ccc5F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E03 compound treatment 0.324 -0.026 -1.0 0.317 -0.033 -1.0 -1.0 -1.0 1973281 ChemDiv1_006427 CC(C)OC(=O)c1nnn(c1CSc2nc3ccccc3o2)c4nonc4N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E04 compound treatment 0.337 -0.013 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1271571 ChemDiv1_006428 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2OC)C(=O)Nc3ccccc3C(=O)OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E05 compound treatment 0.347 -0.003 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1128436 ChemDiv1_006429 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OC(=O)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E06 compound treatment 0.372 0.022 1.0 0.364 0.014 1.0 -1.0 -1.0 1581013 ChemDiv1_006430 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccc(C)cc4c3=O)C(=O)OC5CCCCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E07 compound treatment 0.343 -0.007 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1973282 ChemDiv1_006431 COc1cccc(OCCOc2ccc(cc2C=c3sc4nc5ccccc5n4c3=O)[N+](=O)[O-])c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E08 compound treatment 0.32 -0.03 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1973283 ChemDiv1_006432 CCOC(=O)CSc1nc2ccc(NC(=O)CSc3nc4sc5CCCCc5c4c(=O)n3C)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E09 compound treatment 0.301 -0.049 -1.0 0.295 -0.055 -1.0 -1.0 -1.0 1973284 ChemDiv1_006433 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3cccc4C(=O)c5ccccc5C(=O)c34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E10 compound treatment 0.385 0.035 1.0 0.375 0.025 1.0 -1.0 -1.0 1677922 ChemDiv1_006434 COc1cc(C=c2sc3nc4c(C)cc(C)cc4n3c2=O)cc(Br)c1OCC#C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E11 compound treatment 0.344 -0.006 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1973285 ChemDiv1_006435 CC/N=C/1\S/C(=C\c2cc3OCOc3cc2Br)/C(=O)N1CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E12 compound treatment 0.339 -0.011 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1973286 ChemDiv1_006436 COc1ccc(cc1[N+](=O)[O-])C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E13 compound treatment 0.319 -0.031 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1335771 ChemDiv1_006437 CC1(C)CC(=O)C2=C(C1)OC3=C(C2c4cccc(F)c4)C(=O)CC(C)(C)C3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E14 compound treatment 0.345 -0.005 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1728772 ChemDiv1_006438 Clc1c(sc2ccccc12)C(=O)Nc3ccc(cc3)c4nc5ncccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E15 compound treatment 0.301 -0.049 -1.0 0.312 -0.038 -1.0 -1.0 -1.0 1973287 ChemDiv1_006439 CCOC(=O)c1ccc(cc1)c2ccc(/C=C/3\S\C(=N\C)\N(C)C3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E16 compound treatment 0.34 -0.01 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1927410 ChemDiv1_006440 [O-][N+](=O)c1cc(NC(=O)c2ccc3OCCOc3c2)ccc1F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E17 compound treatment 0.375 0.025 1.0 0.366 0.016 1.0 -1.0 -1.0 1973288 ChemDiv1_006441 COc1ccc(/C=C/2\SC(=N)N(C2=O)c3ccc(F)cc3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E18 compound treatment 0.314 -0.036 -1.0 0.298 -0.052 -1.0 -1.0 -1.0 1973289 ChemDiv1_006442 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E19 compound treatment 0.329 -0.021 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1706513 ChemDiv1_006443 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc5ccccc5C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E20 compound treatment 0.335 -0.015 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1433732 ChemDiv1_006444 CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E21 compound treatment 0.386 0.036 1.0 0.391 0.041 1.0 -1.0 -1.0 1973290 ChemDiv1_006445 Cc1cc(/C=C/2\NC(=O)NC2=O)c(C)n1c3ccc(cc3)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E22 compound treatment 0.317 -0.033 -1.0 0.313 -0.037 -1.0 -1.0 -1.0 1663539 ChemDiv1_006446 COc1ccc(Cl)cc1NC(=O)CSc2nc3cc(C)ccc3[nH]2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 E24 positive control 0.083 -0.267 -1.0 0.081 -0.269 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F01 compound treatment 0.383 0.033 1.0 0.36 0.01 1.0 -1.0 -1.0 1123022 ChemDiv1_006447 COc1ccc2[nH]c(SCC(=O)Nc3ccccc3Br)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F02 compound treatment 0.339 -0.011 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1407862 ChemDiv1_006448 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(COc4ccccc4F)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F03 compound treatment 0.347 -0.003 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1973291 ChemDiv1_006449 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccc(cc2)[N+](=O)[O-])N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F04 compound treatment 0.632 0.282 1.0 0.636 0.286 1.0 -1.0 -1.0 1659856 ChemDiv1_006450 Cc1ccccc1NC(=O)CC2SC(=O)NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F05 compound treatment 0.36 0.01 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1415095 ChemDiv1_006451 COc1cc(ccc1O)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5ccccc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F06 compound treatment 0.352 0.002 1.0 0.345 -0.005 -1.0 -1.0 -1.0 1973292 ChemDiv1_006452 COc1ccc(cc1Cn2nc(C)c([N+](=O)[O-])c2C)C3Nc4ccccc4C(=O)N3c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F07 compound treatment 0.324 -0.026 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1157320 ChemDiv1_006453 CCOC(=O)c1ccc(Oc2nc(NC(C)C)nc(NC(C)C)n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F08 compound treatment 0.34 -0.01 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1604717 ChemDiv1_006454 COc1ccc(cc1COc2ccc(Cl)cc2)C3Nc4ccccc4C(=O)N3Cc5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F09 compound treatment 0.358 0.008 1.0 0.353 0.003 1.0 -1.0 -1.0 1262179 ChemDiv1_006455 Cc1ccc(cc1S(=O)(=O)N)c2nnc(N3CCOCC3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F10 compound treatment 0.338 -0.012 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1693689 ChemDiv1_006456 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NCc4cccc(Br)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F11 compound treatment 0.335 -0.015 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1973293 ChemDiv1_006457 COc1ccc(/C=C(\C#N)/C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F12 compound treatment 0.359 0.009 1.0 0.363 0.013 1.0 -1.0 -1.0 1973294 ChemDiv1_006458 Ic1ccc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F13 compound treatment 0.358 0.008 1.0 0.369 0.019 1.0 -1.0 -1.0 1973295 ChemDiv1_006459 CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F14 compound treatment 0.335 -0.015 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1973296 ChemDiv1_006460 [O-][N+](=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)cc(Oc5ccc(Cl)c(Cl)c5)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F15 compound treatment 0.347 -0.003 -1.0 0.354 0.004 1.0 -1.0 -1.0 1973297 ChemDiv1_006461 O=C(CCN1C(=O)/C(=C/c2ccc3OCOc3c2)/SC1=S)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F16 compound treatment 0.35 0.0 -1.0 0.351 0.001 1.0 -1.0 -1.0 1973298 ChemDiv1_006462 [O-][N+](=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F17 compound treatment 0.346 -0.004 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1973299 ChemDiv1_006463 CCC(=O)Oc1ccc2c(=O)c(c3ccc(OC)c(OC)c3)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F18 compound treatment 0.35 0.0 -1.0 0.358 0.008 1.0 -1.0 -1.0 1442755 ChemDiv1_006464 COc1ccc(OC)c(Cc2nc3cc(C)c(C)cc3[nH]c2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F19 compound treatment 0.34 -0.01 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1973300 ChemDiv1_006465 COc1ccc(cc1OC)c2c(oc3c(CN4CCCC4)c(O)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F20 compound treatment 0.333 -0.017 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1380420 ChemDiv1_006466 O=C(CSc1ncn[nH]1)N2c3ccccc3Sc4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F21 compound treatment 0.338 -0.012 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973301 ChemDiv1_006467 COC(=O)CCCCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F22 compound treatment 0.317 -0.033 -1.0 0.316 -0.034 -1.0 -1.0 -1.0 1973302 ChemDiv1_006468 CCOc1cccc(c1)N2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c5ccccc35)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 F24 positive control 0.083 -0.267 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G01 compound treatment 0.368 0.018 1.0 0.371 0.021 1.0 -1.0 -1.0 1924644 ChemDiv1_006469 CCOC(=O)c1c(oc2cc(Br)c(OC(C)C(=O)OC)cc12)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G02 compound treatment 0.36 0.01 1.0 0.352 0.002 1.0 -1.0 -1.0 1407057 ChemDiv1_006470 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(OC)c(OC)c2)C(=O)Nc3ccc(C)cc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G03 compound treatment 0.336 -0.014 -1.0 0.334 -0.016 -1.0 -1.0 -1.0 1231067 ChemDiv1_006471 O=C(CSc1nc2ccccc2[nH]1)OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G04 compound treatment 0.384 0.034 1.0 0.371 0.021 1.0 -1.0 -1.0 1421622 ChemDiv1_006472 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5coc6ccc(C)cc6c5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G05 compound treatment 0.36 0.01 1.0 0.361 0.011 1.0 -1.0 -1.0 1942267 ChemDiv1_006473 CC/1=NN(C(=O)\C1=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G06 compound treatment 0.377 0.027 1.0 0.366 0.016 1.0 -1.0 -1.0 1930586 ChemDiv1_006474 Brc1cc(/C=C\2/NC(=S)NC2=O)ccc1OCc3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G07 compound treatment 0.343 -0.007 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1973303 ChemDiv1_006475 COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(Cl)c1OCCOc5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G08 compound treatment 0.379 0.029 1.0 0.359 0.009 1.0 -1.0 -1.0 1521979 ChemDiv1_006476 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N4CCOCC4)N5CCOCC5)cc2s1)NCc6ccco6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G09 compound treatment 0.321 -0.029 -1.0 0.319 -0.031 -1.0 -1.0 -1.0 1214543 ChemDiv1_006477 Cc1oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G10 compound treatment 0.336 -0.014 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1973304 ChemDiv1_006478 CC/N=C/1\S/C(=C\c2ccc(o2)c3ccc(Cl)c(c3)[N+](=O)[O-])/C(=O)N1CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G11 compound treatment 0.346 -0.004 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973305 ChemDiv1_006479 COc1cc(c2ccc(/C=C/3\S\C(=N\C(=O)C)\NC3=O)o2)c(OC)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G12 compound treatment 0.377 0.027 1.0 0.366 0.016 1.0 -1.0 -1.0 1973306 ChemDiv1_006480 CCOC(=O)Cn1cc(/C=C/2\Sc3ccccc3C2=O)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G13 compound treatment 0.325 -0.025 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1973307 ChemDiv1_006481 Cc1ccsc1C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G14 compound treatment 0.337 -0.013 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1973308 ChemDiv1_006482 [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c3sc4ccccc4c3Cl)c(Cl)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G15 compound treatment 0.362 0.012 1.0 0.363 0.013 1.0 -1.0 -1.0 1973309 ChemDiv1_006483 COc1cccc(/C=C/2\SC(=N)N(C2=O)c3ccc4OCOc4c3)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G16 compound treatment 0.325 -0.025 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1516302 ChemDiv1_006484 CCCOC(=O)c1ccc(NC(=O)c2ccc3OCCOc3c2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G17 compound treatment 0.396 0.046 1.0 0.388 0.038 1.0 -1.0 -1.0 1933241 ChemDiv1_006485 COc1ccc(OC)c(/C=C/2\SC(=N)N(C2=O)c3ccc(F)cc3)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G18 compound treatment 0.331 -0.019 -1.0 0.326 -0.024 -1.0 -1.0 -1.0 1973310 ChemDiv1_006486 CCCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G19 compound treatment 0.381 0.031 1.0 0.387 0.037 1.0 -1.0 -1.0 1973311 ChemDiv1_006487 COc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)ccc1OCc3ccccc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G20 compound treatment 0.342 -0.008 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1400839 ChemDiv1_006488 NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G21 compound treatment 0.331 -0.019 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1973312 ChemDiv1_006489 COc1ccc2[nH]c-3c(CCn4c3nc5sc6CCCCc6c5c4=N)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G22 compound treatment 0.333 -0.017 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1731654 ChemDiv1_006490 Cc1ccc2[nH]c(SCC(=O)Nc3cccc(Cl)c3C)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 G24 positive control 0.085 -0.265 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H01 compound treatment 0.42 0.07 1.0 0.397 0.047 1.0 -1.0 -1.0 1347885 ChemDiv1_006491 CCOc1ccc2nc(SCC(=O)Nc3ccc(NC(=O)C)cc3)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H02 compound treatment 0.546 0.196 1.0 0.548 0.198 1.0 -1.0 -1.0 1642811 ChemDiv1_006492 COc1ccc(NC(=O)CC2SC(=O)NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H03 compound treatment 0.357 0.007 1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973313 ChemDiv1_006493 COC(=O)C1=C(C)OC(=C(C#N)C1C2CCCCC2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H04 compound treatment 0.94 0.59 1.0 0.961 0.611 1.0 -1.0 -1.0 1724260 ChemDiv1_006494 Oc1cccc(NC(=O)CC2SC(=O)N(C2=O)c3ccccc3)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H05 compound treatment 0.386 0.036 1.0 0.374 0.024 1.0 -1.0 -1.0 1973314 ChemDiv1_006495 COc1ccc(OC)c(c1)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5ccccc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H06 compound treatment 0.352 0.002 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1579110 ChemDiv1_006496 COc1ccc(cc1Cn2nnc3ccccc23)C4Nc5ccccc5C(=O)N4c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H07 compound treatment 0.356 0.006 1.0 0.325 -0.025 -1.0 -1.0 -1.0 1221521 ChemDiv1_006497 CCNc1nc(NCC)nc(Oc2ccc(cc2)C(=O)OCC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H08 compound treatment 0.373 0.023 1.0 0.357 0.007 1.0 -1.0 -1.0 1932107 ChemDiv1_006498 COc1ccc(cc1COc2ccc([N+](=O)[O-])c(C)c2)C3Nc4ccccc4C(=O)N3Cc5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H09 compound treatment 0.349 -0.001 -1.0 0.352 0.002 1.0 -1.0 -1.0 1717075 ChemDiv1_006499 CNS(=O)(=O)c1cc(ccc1C)c2nnc(N3CCOCC3)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H10 compound treatment 0.352 0.002 1.0 0.342 -0.008 -1.0 -1.0 -1.0 1518824 ChemDiv1_006500 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NCc4cc(Br)ccc4O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H11 compound treatment 0.385 0.035 1.0 0.385 0.035 1.0 -1.0 -1.0 1973315 ChemDiv1_006501 CCOC(=O)CCN1C(=O)/C(=C/c2ccc3OCOc3c2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H12 compound treatment 0.373 0.023 1.0 0.367 0.017 1.0 -1.0 -1.0 1973316 ChemDiv1_006502 Clc1ccc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)c(c1)C(=O)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H13 compound treatment 0.349 -0.001 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1973317 ChemDiv1_006503 Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S)no1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H14 compound treatment 0.375 0.025 1.0 0.368 0.018 1.0 -1.0 -1.0 1973318 ChemDiv1_006504 Cn1nc(cc1NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H15 compound treatment 0.384 0.034 1.0 0.394 0.044 1.0 -1.0 -1.0 1973319 ChemDiv1_006505 CCN(Cc1ccccc1)C(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H16 compound treatment 0.341 -0.009 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1305448 ChemDiv1_006506 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NCc4ccccc4Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H17 compound treatment 0.346 -0.004 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1973320 ChemDiv1_006507 CCCC(=O)Oc1ccc2c(=O)c(c3ccc(OC)c(OC)c3)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H18 compound treatment 0.375 0.025 1.0 0.355 0.005 1.0 -1.0 -1.0 1973321 ChemDiv1_006508 Cc1ccc2n(CC(=O)Nc3ccc(F)c(Cl)c3)c4ccccc4c(=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H19 compound treatment 0.333 -0.017 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1973322 ChemDiv1_006509 COc1ccc(cc1OC)c2c(oc3c(CN4CCCCC4)c(O)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H20 compound treatment 0.328 -0.022 -1.0 0.33 -0.02 -1.0 -1.0 -1.0 1368893 ChemDiv1_006510 Cc1ccc(C#N)c(SCC(=O)N2c3ccccc3Sc4ccccc24)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H21 compound treatment 0.335 -0.015 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1726934 ChemDiv1_006511 Cc1ccc(cc1NC(=O)c2sc3ccccc3c2Cl)c4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H22 compound treatment 0.34 -0.01 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1973323 ChemDiv1_006512 CCOc1ccc(OCC)c(c1)N2C(=O)NC(=O)/C(=C\c3ccc4OCOc4c3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 H24 positive control 0.084 -0.266 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I01 compound treatment 0.409 0.059 1.0 0.408 0.058 1.0 -1.0 -1.0 1973324 ChemDiv1_006513 CCOC(=O)c1c(oc2cc(Br)c(OCC(=O)OC)cc12)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I02 compound treatment 0.372 0.022 1.0 0.366 0.016 1.0 -1.0 -1.0 1973325 ChemDiv1_006514 CC(C)OCCOC(=O)C1=C(C)NC2=C(C1c3cc4OCOc4cc3Br)C(=O)CCC2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I03 compound treatment 0.347 -0.003 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1468591 ChemDiv1_006515 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OC(=O)c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I04 compound treatment 0.397 0.047 1.0 0.377 0.027 1.0 -1.0 -1.0 1394260 ChemDiv1_006516 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3coc4ccc(C)cc4c3=O)C(=O)OCCc5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I05 compound treatment 0.372 0.022 1.0 0.376 0.026 1.0 -1.0 -1.0 1973326 ChemDiv1_006517 CC/1=NN(C(=O)\C1=C/c2ccccc2OS(=O)(=O)c3ccccc3[N+](=O)[O-])c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I06 compound treatment 0.361 0.011 1.0 0.354 0.004 1.0 -1.0 -1.0 1973327 ChemDiv1_006518 [O-][N+](=O)c1cccc(c1)n2ccc(/C=C\3/C(=O)NC(=O)N(C3=O)c4ccccc4)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I07 compound treatment 0.342 -0.008 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973328 ChemDiv1_006519 COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(Cl)c1OCCOc5ccccc5C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I08 compound treatment 0.373 0.023 1.0 0.359 0.009 1.0 -1.0 -1.0 1973329 ChemDiv1_006520 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N4CCOCC4)N5CCOCC5)cc2s1)NC6CC6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I09 compound treatment 0.359 0.009 1.0 0.359 0.009 1.0 -1.0 -1.0 1973330 ChemDiv1_006521 CC(=O)Nc1ccc(cc1)n2c(=O)c3ccc4c(=O)n(c5ccc(NC(=O)C)cc5)c(=O)c6ccc(c2=O)c3c46 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I10 compound treatment 0.36 0.01 1.0 0.351 0.001 1.0 -1.0 -1.0 1973331 ChemDiv1_006522 CCOc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)c(Br)cc1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I11 compound treatment 0.354 0.004 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1700914 ChemDiv1_006523 Cn1c(SCc2cc3OCOc3cc2Cl)nc4n(C)c(=O)n(C)c(=O)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I12 compound treatment 0.357 0.007 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1298193 ChemDiv1_006524 Cn1ccnc1Sc2nc(Nc3cccc(Cl)c3)nc(n2)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I13 compound treatment 0.363 0.013 1.0 0.35 0.0 -1.0 -1.0 -1.0 1973332 ChemDiv1_006525 COc1ccc(/C=C/2\SC(=N)N(C2=O)c3ccc4OCOc4c3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I14 compound treatment 0.356 0.006 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1930478 ChemDiv1_006526 [O-][N+](=O)c1cc(Cl)ccc1N2CCN(CC2)C(=O)c3sc4ccccc4c3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I15 compound treatment 0.439 0.089 1.0 0.433 0.083 1.0 -1.0 -1.0 1973333 ChemDiv1_006527 COc1ccc(OC)c(/C=C/2\SC(=N)N(C2=O)c3ccc4OCOc4c3)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I16 compound treatment 0.438 0.088 1.0 0.449 0.099 1.0 -1.0 -1.0 1973334 ChemDiv1_006528 [O-][N+](=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4OCCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I17 compound treatment 0.391 0.041 1.0 0.397 0.047 1.0 -1.0 -1.0 1973335 ChemDiv1_006529 COc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)cc(Br)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I18 compound treatment 0.315 -0.035 -1.0 0.309 -0.041 -1.0 -1.0 -1.0 1973336 ChemDiv1_006530 CCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I19 compound treatment 0.347 -0.003 -1.0 0.351 0.001 1.0 -1.0 -1.0 1973337 ChemDiv1_006531 Cc1ccsc1/C=C/2\Sc3ccccc3C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I20 compound treatment 0.334 -0.016 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1393164 ChemDiv1_006532 COc1ccc(Cl)cc1NC(=O)CSc2nc3ccccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I21 compound treatment 0.349 -0.001 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1136641 ChemDiv1_006533 COc1ccc2[nH]c-3c(CCn4c3nc5sc6CCCCCc6c5c4=O)c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I22 compound treatment 0.346 -0.004 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1933798 ChemDiv1_006534 Cc1ccc2[nH]c(SCC(=O)Nc3ccc(Br)cc3)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 I24 positive control 0.085 -0.265 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J01 compound treatment 0.4 0.05 1.0 0.408 0.058 1.0 -1.0 -1.0 1396822 ChemDiv1_006535 CCOc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3OC)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J02 compound treatment 0.489 0.139 1.0 0.503 0.153 1.0 -1.0 -1.0 1723896 ChemDiv1_006536 CCOc1ccc(NC(=O)CC2SC(=O)NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J03 compound treatment 0.343 -0.007 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1973338 ChemDiv1_006537 COC(=O)C1=C(C)OC(=C(C#N)C1c2ccccc2OC)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J04 compound treatment 0.481 0.131 1.0 0.493 0.143 1.0 -1.0 -1.0 1973339 ChemDiv1_006538 COC(=O)CC1SC(=O)N(CNc2ccc(cc2)[N+](=O)[O-])C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J05 compound treatment 0.354 0.004 1.0 0.383 0.033 1.0 -1.0 -1.0 1642304 ChemDiv1_006539 COc1ccc(cc1OC)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5ccccc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J06 compound treatment 0.352 0.002 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1463088 ChemDiv1_006540 COc1ccc(cc1CN2CCOCC2)C3Nc4ccccc4C(=O)N3c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J07 compound treatment 0.338 -0.012 -1.0 0.311 -0.039 -1.0 -1.0 -1.0 1632265 ChemDiv1_006541 CCNc1nc(NC(C)C)nc(Oc2ccc(cc2)C(=O)OCC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J08 compound treatment 0.359 0.009 1.0 0.357 0.007 1.0 -1.0 -1.0 1926605 ChemDiv1_006542 COc1ccc(cc1COc2ccc(cc2)[N+](=O)[O-])C3Nc4ccccc4C(=O)N3Cc5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J09 compound treatment 0.555 0.205 1.0 0.557 0.207 1.0 -1.0 -1.0 1973340 ChemDiv1_006543 Cc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3F)c(C)n1c4cc(cc(c4)C(=O)O)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J10 compound treatment 0.359 0.009 1.0 0.354 0.004 1.0 -1.0 -1.0 1973341 ChemDiv1_006544 COc1ccc(CNn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J11 compound treatment 0.607 0.257 1.0 0.615 0.265 1.0 -1.0 -1.0 1973342 ChemDiv1_006545 CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccc3OCOc3c2)/SC1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J12 compound treatment 0.397 0.047 1.0 0.379 0.029 1.0 -1.0 -1.0 1973343 ChemDiv1_006546 FC(F)(F)Oc1cccc(CNC(=O)Cn2c3ccccc3c(=O)c4ccccc24)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J13 compound treatment 0.475 0.125 1.0 0.464 0.114 1.0 -1.0 -1.0 1973344 ChemDiv1_006547 O=C(CCN1C(=O)/C(=C/c2ccc3OCOc3c2)/SC1=S)NC4=NCCS4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J14 compound treatment 0.372 0.022 1.0 0.366 0.016 1.0 -1.0 -1.0 1973345 ChemDiv1_006548 FC(F)(F)Oc1cc(Br)ccc1NC(=O)Cn2c3ccccc3c(=O)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J15 compound treatment 0.438 0.088 1.0 0.454 0.104 1.0 -1.0 -1.0 1973346 ChemDiv1_006549 O=C(CCN1C(=O)/C(=C/c2ccc3OCOc3c2)/SC1=S)N(CCC#N)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J16 compound treatment 0.355 0.005 1.0 0.358 0.008 1.0 -1.0 -1.0 1524818 ChemDiv1_006550 COc1cccc(CNn2c(nc3ccccc3c2=O)c4cc(OC)c(OC)c(OC)c4)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J17 compound treatment 0.331 -0.019 -1.0 0.321 -0.029 -1.0 -1.0 -1.0 1973347 ChemDiv1_006551 COc1ccc(cc1OC)c2c(oc3cc(OC(=O)C(C)C)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J18 compound treatment 0.342 -0.008 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1154272 ChemDiv1_006552 Cc1cc2nc(Cc3ccc4OCOc4c3)c(=O)[nH]c2cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J19 compound treatment 0.356 0.006 1.0 0.349 -0.001 -1.0 -1.0 -1.0 1973348 ChemDiv1_006553 COc1ccc(cc1OC)c2c(oc3c(CN4CCOCC4)c(O)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J20 compound treatment 0.341 -0.009 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1241593 ChemDiv1_006554 Cc1ccc2c(N)c(sc2n1)C(=O)N3c4ccccc4Sc5ccccc35 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J21 compound treatment 0.341 -0.009 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1304536 ChemDiv1_006555 Clc1c(sc2ccccc12)C(=O)Nc3ccc(Cl)c(c3)c4nc5ccccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J22 compound treatment 0.508 0.158 1.0 0.515 0.165 1.0 -1.0 -1.0 1973349 ChemDiv1_006556 CCOc1ccc(OCC)c(c1)N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 J24 positive control 0.085 -0.265 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K01 compound treatment 0.386 0.036 1.0 0.415 0.065 1.0 -1.0 -1.0 1256632 ChemDiv1_006557 Cc1ccc(cc1)C(=O)c2oc3ccc(Cl)cc3c2N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K02 compound treatment 0.397 0.047 1.0 0.396 0.046 1.0 -1.0 -1.0 1580005 ChemDiv1_006558 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Cl)c(O)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K03 compound treatment 0.385 0.035 1.0 0.374 0.024 1.0 -1.0 -1.0 1973350 ChemDiv1_006559 COc1cc(/C=C/2\C(=NN(C2=O)c3ccccc3)C)ccc1OS(=O)(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K04 compound treatment 0.401 0.051 1.0 0.384 0.034 1.0 -1.0 -1.0 1566250 ChemDiv1_006560 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(Br)c(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K05 compound treatment 0.419 0.069 1.0 0.433 0.083 1.0 -1.0 -1.0 1973351 ChemDiv1_006561 CCOc1cc(/C=C\2/SC(=S)NC2=O)ccc1OS(=O)(=O)c3ccccc3[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K06 compound treatment 0.343 -0.007 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1973352 ChemDiv1_006562 COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3cccc(C)c3)c(cc1OC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K07 compound treatment 0.42 0.07 1.0 0.413 0.063 1.0 -1.0 -1.0 1973353 ChemDiv1_006563 COc1cc(/C=C/2\C(=NN(C2=O)c3ccccc3)C)ccc1OS(=O)(=O)c4ccccc4[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K08 compound treatment 0.367 0.017 1.0 0.356 0.006 1.0 -1.0 -1.0 1535493 ChemDiv1_006564 CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)N4CCCCC4)cc2s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K09 compound treatment 0.331 -0.019 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1635171 ChemDiv1_006565 CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc(Br)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K10 compound treatment 0.457 0.107 1.0 0.456 0.106 1.0 -1.0 -1.0 1973354 ChemDiv1_006566 CC/1=NN(C(=O)\C1=C/c2cnn(c2)c3ccc(C)c(C)c3)c4ccc(Cl)c(c4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K11 compound treatment 0.354 0.004 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1159821 ChemDiv1_006567 CN(C)C(=O)Oc1cccc(c1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K12 compound treatment 0.339 -0.011 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1319539 ChemDiv1_006568 C1CN(CCO1)c2nc(nc(n2)n3cccn3)N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K13 compound treatment 0.388 0.038 1.0 0.377 0.027 1.0 -1.0 -1.0 1973355 ChemDiv1_006569 COc1ccc(/C=C/2\SC(=N)N(C2=O)c3ccc4OCOc4c3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K14 compound treatment 0.344 -0.006 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1936006 ChemDiv1_006570 Cc1c(Cl)cccc1c2ccc(o2)C(=O)Nc3ccc4C(=O)c5ccccc5C(=O)c4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K15 compound treatment 0.405 0.055 1.0 0.391 0.041 1.0 -1.0 -1.0 1973356 ChemDiv1_006571 CCOC(=O)c1ccc(cc1)c2ccc(/C=C/3\S\C(=N\C(=O)C)\NC3=O)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K16 compound treatment 0.354 0.004 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1667149 ChemDiv1_006572 COC(=O)c1cc(NC(=O)c2ccc3OCCOc3c2)cc(c1)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K17 compound treatment 0.357 0.007 1.0 0.376 0.026 1.0 -1.0 -1.0 1973357 ChemDiv1_006573 COc1cc(C=c2sc3nc4c(Br)c(C)c(C)cc4n3c2=O)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K18 compound treatment 0.353 0.003 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1973358 ChemDiv1_006574 CCCOc1c(Br)cc(/C=C/2\NC(=S)NC2=O)cc1OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K19 compound treatment 0.415 0.065 1.0 0.398 0.048 1.0 -1.0 -1.0 1418681 ChemDiv1_006575 COc1cc(OC)c(cc1OC)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K20 compound treatment 0.348 -0.002 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973359 ChemDiv1_006576 Brc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K21 compound treatment 0.342 -0.008 -1.0 0.345 -0.005 -1.0 -1.0 -1.0 1297726 ChemDiv1_006577 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(OC)c(OC)c2)C(=O)Nc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K22 compound treatment 0.352 0.002 1.0 0.355 0.005 1.0 -1.0 -1.0 1376487 ChemDiv1_006578 Cc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 K24 positive control 0.087 -0.263 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L01 compound treatment 0.375 0.025 1.0 0.378 0.028 1.0 -1.0 -1.0 1658171 ChemDiv1_006579 CCOc1ccc2nc(SCC(=O)Nc3cccc(SC)c3)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L02 compound treatment 0.397 0.047 1.0 0.407 0.057 1.0 -1.0 -1.0 1419149 ChemDiv1_006580 Cc1c(NC(=O)CC2SC(=O)NC2=O)c(=O)n(c3ccccc3)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L03 compound treatment 0.334 -0.016 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1162869 ChemDiv1_006581 COC(=O)C1=C(C)OC(=C(C#N)C1c2cccc(OCc3ccc(F)cc3)c2)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L04 compound treatment 0.468 0.118 1.0 0.454 0.104 1.0 -1.0 -1.0 1718793 ChemDiv1_006582 O=C(CC1SC(=O)NC1=O)Nc2ccc(NC(=O)CC3SC(=O)NC3=O)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L05 compound treatment 0.389 0.039 1.0 0.375 0.025 1.0 -1.0 -1.0 1252646 ChemDiv1_006583 CCOc1cc(ccc1O)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5ccccc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L06 compound treatment 0.356 0.006 1.0 0.354 0.004 1.0 -1.0 -1.0 1278265 ChemDiv1_006584 COc1ccc(cc1CN2CCOCC2)C3Nc4ccccc4C(=O)N3c5ccc(Cl)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L07 compound treatment 0.388 0.038 1.0 0.399 0.049 1.0 -1.0 -1.0 1740380 ChemDiv1_006585 Cc1nnc(Nc2ccc(cc2)S(=O)(=O)Nc3nccs3)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L08 compound treatment 0.353 0.003 1.0 0.367 0.017 1.0 -1.0 -1.0 1394819 ChemDiv1_006586 COc1ccc(cc1COc2cccc(C)c2C)C3Nc4ccccc4C(=O)N3Cc5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L09 compound treatment 0.373 0.023 1.0 0.373 0.023 1.0 -1.0 -1.0 1973360 ChemDiv1_006587 COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2C)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L10 compound treatment 0.335 -0.015 -1.0 0.358 0.008 1.0 -1.0 -1.0 1259021 ChemDiv1_006588 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NCc4cc(Br)ccc4O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L11 compound treatment 0.537 0.187 1.0 0.528 0.178 1.0 -1.0 -1.0 1973361 ChemDiv1_006589 Oc1ccc(cc1NC(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L12 compound treatment 0.424 0.074 1.0 0.409 0.059 1.0 -1.0 -1.0 1973362 ChemDiv1_006590 [O-][N+](=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)cc(Sc5ccc(F)cc5)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L13 compound treatment 0.353 0.003 1.0 0.374 0.024 1.0 -1.0 -1.0 1973363 ChemDiv1_006591 Cc1csc(NC(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L14 compound treatment 0.41 0.06 1.0 0.387 0.037 1.0 -1.0 -1.0 1973364 ChemDiv1_006592 CCSc1nnc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L15 compound treatment 0.687 0.337 1.0 0.689 0.339 1.0 -1.0 -1.0 1973365 ChemDiv1_006593 OC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S)cc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L16 compound treatment 0.374 0.024 1.0 0.373 0.023 1.0 -1.0 -1.0 1973366 ChemDiv1_006594 [O-][N+](=O)c1cc(Nc2ncnc3ccccc23)cc(Oc4ccccc4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L17 compound treatment 0.356 0.006 1.0 0.37 0.02 1.0 -1.0 -1.0 1973367 ChemDiv1_006595 CCOC(=O)Oc1ccc2c(=O)c(c3ccc(OC)c(OC)c3)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L18 compound treatment 0.372 0.022 1.0 0.35 0.0 -1.0 -1.0 -1.0 1275470 ChemDiv1_006596 Cc1cc2nc(Cc3cc4OCOc4cc3Br)c(=O)[nH]c2cc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L19 compound treatment 0.356 0.006 1.0 0.36 0.01 1.0 -1.0 -1.0 1973368 ChemDiv1_006597 COc1ccc(cc1OC)c2c(oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L20 compound treatment 0.336 -0.014 -1.0 0.331 -0.019 -1.0 -1.0 -1.0 1973369 ChemDiv1_006598 FC(F)(F)c1cc(nc(SCC(=O)Nc2ccccc2C#N)c1C#N)c3cccs3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L21 compound treatment 0.344 -0.006 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1973370 ChemDiv1_006599 Clc1c(sc2ccccc12)C(=O)Nc3cccc(NC(=O)c4cccc(Cl)c4)c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L22 compound treatment 0.34 -0.01 -1.0 0.341 -0.009 -1.0 -1.0 -1.0 1973371 ChemDiv1_006600 Cc1cc(Br)ccc1N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c5ccccc35)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 L24 positive control 0.087 -0.263 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M01 compound treatment 0.431 0.081 1.0 0.422 0.072 1.0 -1.0 -1.0 1421506 ChemDiv1_006601 Nc1c(oc2ccc(Cl)cc12)C(=O)c3ccc(Br)s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M02 compound treatment 0.386 0.036 1.0 0.394 0.044 1.0 -1.0 -1.0 1973372 ChemDiv1_006602 COc1ccc(C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)OCCOc4ccccc4)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M03 compound treatment 0.427 0.077 1.0 0.424 0.074 1.0 -1.0 -1.0 1973373 ChemDiv1_006603 COc1cccc(OCCOc2ccc(/C=C/3\C(=NN(C3=O)c4ccccc4)C)cc2OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M04 compound treatment 0.382 0.032 1.0 0.377 0.027 1.0 -1.0 -1.0 1436560 ChemDiv1_006604 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5coc6ccc(Cl)cc6c5=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M05 compound treatment 0.342 -0.008 -1.0 0.337 -0.013 -1.0 -1.0 -1.0 1973374 ChemDiv1_006605 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCCOc5ccc(C)c(C)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M06 compound treatment 0.522 0.172 1.0 0.545 0.195 1.0 -1.0 -1.0 1973375 ChemDiv1_006606 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C/c3cc(C)n(c3C)c4ccccc4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M07 compound treatment 0.389 0.039 1.0 0.397 0.047 1.0 -1.0 -1.0 1973376 ChemDiv1_006607 CCOc1cc(/C=C/2\C(=NN(C2=O)c3ccccc3)C)ccc1OS(=O)(=O)c4ccccc4[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M08 compound treatment 0.395 0.045 1.0 0.392 0.042 1.0 -1.0 -1.0 1535909 ChemDiv1_006608 CC1CN(CC(C)O1)C(=O)c2ccccc2C(=O)Nc3ccc4nc(SCC(=O)NC5CCCCC5)sc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M09 compound treatment 0.357 0.007 1.0 0.343 -0.007 -1.0 -1.0 -1.0 1608336 ChemDiv1_006609 CCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccc(OCC)cc3)cc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M10 compound treatment 0.486 0.136 1.0 0.443 0.093 1.0 -1.0 -1.0 1973377 ChemDiv1_006610 CC/N=C/1\S/C(=C\c2ccc(Oc3ccc(cc3C#N)[N+](=O)[O-])c(OC)c2)/C(=O)N1CC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M11 compound treatment 0.335 -0.015 -1.0 0.333 -0.017 -1.0 -1.0 -1.0 1683305 ChemDiv1_006611 CC(Sc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc3cc4OCOc4cc3Cl)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M12 compound treatment 0.401 0.051 1.0 0.386 0.036 1.0 -1.0 -1.0 1973378 ChemDiv1_006612 Fc1ccc(/C=C/2\Sc3ccccc3C2=O)c(F)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M13 compound treatment 0.397 0.047 1.0 0.391 0.041 1.0 -1.0 -1.0 1973379 ChemDiv1_006613 Brc1cc2OCOc2cc1/C=C/3\SC(=N)N(C3=O)c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M14 compound treatment 0.351 0.001 1.0 0.358 0.008 1.0 -1.0 -1.0 1250123 ChemDiv1_006614 COc1ccc(cc1OC)c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M15 compound treatment 0.355 0.005 1.0 0.354 0.004 1.0 -1.0 -1.0 1558251 ChemDiv1_006615 CC1CCCN(C1)c2nc3nonc3nc2N4CCCC(C)C4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M16 compound treatment 0.343 -0.007 -1.0 0.338 -0.012 -1.0 -1.0 -1.0 1646831 ChemDiv1_006616 CSc1ncnc2ncn(CC(=O)Nc3ccc(C)c(C)c3)c12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M17 compound treatment 0.435 0.085 1.0 0.43 0.08 1.0 -1.0 -1.0 1949593 ChemDiv1_006617 COc1cc(/C=C/2\SC(=N)N(C2=O)c3ccc(F)cc3)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M18 compound treatment 0.356 0.006 1.0 0.352 0.002 1.0 -1.0 -1.0 1973380 ChemDiv1_006618 CCCOc1c(Br)cc(Br)cc1/C=C/2\NC(=S)NC2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M19 compound treatment 0.551 0.201 1.0 0.549 0.199 1.0 -1.0 -1.0 1467041 ChemDiv1_006619 CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)c(Br)cc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M20 compound treatment 0.334 -0.016 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1244793 ChemDiv1_006620 Clc1ccccc1NC(=O)CSc2nc3ccccc3o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M21 compound treatment 0.345 -0.005 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1738272 ChemDiv1_006621 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2Cl)C(=O)Nc3ccc(C)cc3C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M22 compound treatment 0.354 0.004 1.0 0.35 0.0 -1.0 -1.0 -1.0 1665628 ChemDiv1_006622 COc1ccc2[nH]c(SCC(=O)Nc3ccc(NC(=O)C)cc3)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 M24 positive control 0.09 -0.26 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N01 compound treatment 0.425 0.075 1.0 0.452 0.102 1.0 -1.0 -1.0 1588898 ChemDiv1_006623 OC(=O)c1cc(NC(=O)CSc2nc3ccccc3[nH]2)cc(NC(=O)CSc4nc5ccccc5[nH]4)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N02 compound treatment 0.393 0.043 1.0 0.414 0.064 1.0 -1.0 -1.0 1639393 ChemDiv1_006624 Cc1ccc(NC(=O)CC2SC(=O)NC2=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N03 compound treatment 0.345 -0.005 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1331567 ChemDiv1_006625 COC(=O)C1=C(C)OC(=C(C#N)C1c2cc(OC)ccc2OC)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N04 compound treatment 0.439 0.089 1.0 0.427 0.077 1.0 -1.0 -1.0 1401807 ChemDiv1_006626 CCOC(=O)c1[nH]c2c(OC)cc(OC)cc2c1CCN3C(=O)c4ccccc4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N05 compound treatment 0.384 0.034 1.0 0.363 0.013 1.0 -1.0 -1.0 1973381 ChemDiv1_006627 COC(=O)c1ccc(cc1)C2C(=C(N)Oc3[nH]nc(c23)c4ccc5ccccc5c4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N06 compound treatment 0.38 0.03 1.0 0.356 0.006 1.0 -1.0 -1.0 1315230 ChemDiv1_006628 COc1ccc(cc1CN2CCOCC2)C3Nc4ccccc4C(=O)N3c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N07 compound treatment 0.387 0.037 1.0 0.386 0.036 1.0 -1.0 -1.0 1231439 ChemDiv1_006629 O=S(=O)(Nc1nccs1)c2ccc(Nc3nnc(c4ccccc4)c5ccccc35)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N08 compound treatment 0.352 0.002 1.0 0.34 -0.01 -1.0 -1.0 -1.0 1317640 ChemDiv1_006630 COc1ccc(cc1COc2c(C)cccc2C)C3Nc4ccccc4C(=O)N3Cc5ccco5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N09 compound treatment 0.34 -0.01 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1973382 ChemDiv1_006631 COCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N10 compound treatment 0.38 0.03 1.0 0.385 0.035 1.0 -1.0 -1.0 1973383 ChemDiv1_006632 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NCc4cccc([N+](=O)[O-])c4O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N11 compound treatment 0.434 0.084 1.0 0.424 0.074 1.0 -1.0 -1.0 1973384 ChemDiv1_006633 Oc1cc(ccc1NC(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N12 compound treatment 0.398 0.048 1.0 0.394 0.044 1.0 -1.0 -1.0 1973385 ChemDiv1_006634 Fc1ccc(cc1CNC(=O)Cn2c3ccccc3c(=O)c4ccccc24)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N13 compound treatment 0.376 0.026 1.0 0.392 0.042 1.0 -1.0 -1.0 1973386 ChemDiv1_006635 CCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N14 compound treatment 0.45 0.1 1.0 0.435 0.085 1.0 -1.0 -1.0 1973387 ChemDiv1_006636 O=C(Cn1c2ccccc2c(=O)c3ccccc13)Nc4ccc(Oc5ccc6C(=O)N(Cc7ccco7)C(=O)c6c5)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N15 compound treatment 0.638 0.288 1.0 0.65 0.3 1.0 -1.0 -1.0 1973388 ChemDiv1_006637 OC(=O)c1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N16 compound treatment 0.358 0.008 1.0 0.359 0.009 1.0 -1.0 -1.0 1429793 ChemDiv1_006638 COc1ccc(cc1OC)c2nc3ccccc3c(=O)n2NCc4cc(Br)cs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N17 compound treatment 0.361 0.011 1.0 0.361 0.011 1.0 -1.0 -1.0 1973389 ChemDiv1_006639 COc1ccc(cc1OC)c2c(oc3cc(OC(=O)c4cccnc4)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N18 compound treatment 0.351 0.001 1.0 0.36 0.01 1.0 -1.0 -1.0 1120541 ChemDiv1_006640 Brc1cc2OCOc2cc1Cc3nc4ccccc4[nH]c3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N19 compound treatment 0.36 0.01 1.0 0.357 0.007 1.0 -1.0 -1.0 1973390 ChemDiv1_006641 COc1ccc(cc1OC)c2c(oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N20 compound treatment 0.33 -0.02 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1210544 ChemDiv1_006642 O=C(CSc1nc2CCCCc2cc1C#N)Nc3ccccc3C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N21 compound treatment 0.344 -0.006 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1324593 ChemDiv1_006643 Cc1cc2nc(oc2cc1C)c3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N22 compound treatment 0.483 0.133 1.0 0.476 0.126 1.0 -1.0 -1.0 1973391 ChemDiv1_006644 Fc1ccccc1N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)N4CCOCC4)c5ccccc35)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 N24 positive control 0.087 -0.263 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O01 compound treatment 0.346 -0.004 -1.0 0.36 0.01 1.0 -1.0 -1.0 1973392 ChemDiv1_006645 CCOC(=O)c1nnn(c1CSc2nc3ccccc3s2)c4nonc4N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O02 compound treatment 0.321 -0.029 -1.0 0.327 -0.023 -1.0 -1.0 -1.0 1301014 ChemDiv1_006646 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2Cl)C(=O)Nc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O03 compound treatment 0.34 -0.01 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973393 ChemDiv1_006647 COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCCOc5cccc(C)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O04 compound treatment 0.368 0.018 1.0 0.383 0.033 1.0 -1.0 -1.0 1137863 ChemDiv1_006648 Fc1ccc(cc1Br)C2Nc3ccccc3NC4=C2C(=O)CC(C4)c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O05 compound treatment 0.345 -0.005 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973394 ChemDiv1_006649 COc1ccccc1OCCOc2ccc(cc2/C=C/3\C(=NN(C3=O)c4ccccc4)C)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O06 compound treatment 0.36 0.01 1.0 0.38 0.03 1.0 -1.0 -1.0 1973395 ChemDiv1_006650 COC(=O)c1ccc(cc1)n2c(C)cc(/C=C\3/C(=O)NC(=O)N(C3=O)c4ccc(OC)cc4)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O07 compound treatment 0.477 0.127 1.0 0.477 0.127 1.0 -1.0 -1.0 1973396 ChemDiv1_006651 [O-][N+](=O)c1cc2OCOc2cc1C3Nc4ccc(cc4NC5=C3C(=O)CCC5)C(=O)c6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O08 compound treatment 0.377 0.027 1.0 0.383 0.033 1.0 -1.0 -1.0 1945737 ChemDiv1_006652 O=C1C2CCCCC2C(=O)N1c3ccc4[nH]c(=S)sc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O09 compound treatment 0.342 -0.008 -1.0 0.36 0.01 1.0 -1.0 -1.0 1342490 ChemDiv1_006653 Cc1oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O10 compound treatment 0.382 0.032 1.0 0.404 0.054 1.0 -1.0 -1.0 1973397 ChemDiv1_006654 COc1cc(/C=C/2\S/C(=N\C)/N(C)C2=O)ccc1Oc3ccc(cc3C#N)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O11 compound treatment 0.355 0.005 1.0 0.365 0.015 1.0 -1.0 -1.0 1973398 ChemDiv1_006655 CCOc1cc(/C=C/2\S\C(=N\C)\N(C)C2=O)cc(Cl)c1OC(=O)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O12 compound treatment 0.377 0.027 1.0 0.383 0.033 1.0 -1.0 -1.0 1973399 ChemDiv1_006656 C/N=C/1\S/C(=C\c2ccc(o2)c3cc(Cl)ccc3[N+](=O)[O-])/C(=O)N1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O13 compound treatment 0.478 0.128 1.0 0.443 0.093 1.0 -1.0 -1.0 1923956 ChemDiv1_006657 Cc1ccsc1/C=C/2\SC(=N)N(C2=O)c3ccc4OCOc4c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O14 compound treatment 0.332 -0.018 -1.0 0.359 0.009 1.0 -1.0 -1.0 1973400 ChemDiv1_006658 [O-][N+](=O)c1cc(ccc1N2CCN(CC2)C(=O)c3sc4ccccc4c3Cl)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O15 compound treatment 0.42 0.07 1.0 0.393 0.043 1.0 -1.0 -1.0 1973401 ChemDiv1_006659 CC(=O)/N=C/1\NC(=O)\C(=C\c2ccc(o2)c3cc(Cl)ccc3[N+](=O)[O-])\S1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O16 compound treatment 0.333 -0.017 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1400774 ChemDiv1_006660 Cn1c(Sc2ncnn2Cc3ccccc3)nc4n(C)c(=O)n(C)c(=O)c14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O17 compound treatment 0.495 0.145 1.0 0.477 0.127 1.0 -1.0 -1.0 1926143 ChemDiv1_006661 OC(=O)c1cccc(c1)c2ccc(/C=C/3\SC(=N)N(C3=O)c4ccc5OCOc5c4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O18 compound treatment 0.395 0.045 1.0 0.366 0.016 1.0 -1.0 -1.0 1973402 ChemDiv1_006662 CCOc1cc(/C=C/2\NC(=S)NC2=O)cc(Br)c1OCC=C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O19 compound treatment 0.421 0.071 1.0 0.419 0.069 1.0 -1.0 -1.0 1973403 ChemDiv1_006663 COc1cc(/C=C/2\S\C(=N\C(=O)C)\NC2=O)cc(Br)c1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O20 compound treatment 0.358 0.008 1.0 0.356 0.006 1.0 -1.0 -1.0 1253659 ChemDiv1_006664 OC(=O)c1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O21 compound treatment 0.347 -0.003 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1494268 ChemDiv1_006665 CCOC(=O)c1c(C)c(sc1NC(=O)COc2ccc(Cl)cc2C)C(=O)Nc3ccccc3F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O22 compound treatment 0.358 0.008 1.0 0.355 0.005 1.0 -1.0 -1.0 1257969 ChemDiv1_006666 COc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)c(c3)C(=O)O)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 O24 positive control 0.092 -0.258 -1.0 0.087 -0.263 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P01 compound treatment 0.411 0.061 1.0 0.454 0.104 1.0 -1.0 -1.0 1249048 ChemDiv1_006667 COc1ccc2[nH]c(SCC(=O)Nc3cc(NC(=O)CSc4nc5cc(OC)ccc5[nH]4)cc(c3)C(=O)O)nc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P02 compound treatment 0.416 0.066 1.0 0.394 0.044 1.0 -1.0 -1.0 1505672 ChemDiv1_006668 Cc1ccc(NC(=O)CC2SC(=O)NC2=O)c(C)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P03 compound treatment 0.351 0.001 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973404 ChemDiv1_006669 COC(=O)C1=C(C)OC(=C(C#N)C1c2c(F)c(F)c(F)c(F)c2F)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P04 compound treatment 0.376 0.026 1.0 0.387 0.037 1.0 -1.0 -1.0 1601984 ChemDiv1_006670 COc1ccc(cc1CN2CCOCC2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P05 compound treatment 0.356 0.006 1.0 0.357 0.007 1.0 -1.0 -1.0 1552457 ChemDiv1_006671 CCC(C)Nc1nc(NC(C)C)nc(Oc2ccc(cc2)C(=O)OC)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P06 compound treatment 0.406 0.056 1.0 0.41 0.06 1.0 -1.0 -1.0 1228047 ChemDiv1_006672 COc1ccc(cc1COc2ccccn2)C3Nc4ccccc4C(=O)N3c5ccc(C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P07 compound treatment 0.458 0.108 1.0 0.472 0.122 1.0 -1.0 -1.0 1267312 ChemDiv1_006673 Cc1ccc(cc1)c2nnc(Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)c5ccccc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P08 compound treatment 0.426 0.076 1.0 0.42 0.07 1.0 -1.0 -1.0 1926800 ChemDiv1_006674 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(COc4ccc(cc4)[N+](=O)[O-])c3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P09 compound treatment 0.349 -0.001 -1.0 0.362 0.012 1.0 -1.0 -1.0 1973405 ChemDiv1_006675 COCc1cc(C)nc(SCC(=O)Nc2ccccc2OC)c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P10 compound treatment 0.385 0.035 1.0 0.38 0.03 1.0 -1.0 -1.0 1973406 ChemDiv1_006676 COc1cc(cc(OC)c1OC)c2nc3ccccc3c(=O)n2NCc4ccc(OC(F)F)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P11 compound treatment 0.388 0.038 1.0 0.385 0.035 1.0 -1.0 -1.0 1973407 ChemDiv1_006677 CCC1CCCCN1C(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P12 compound treatment 0.4 0.05 1.0 0.39 0.04 1.0 -1.0 -1.0 1973408 ChemDiv1_006678 CCOC(=O)N1CCC(CC1)NC(=O)Cn2c3ccccc3c(=O)c4ccccc24 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P13 compound treatment 0.364 0.014 1.0 0.369 0.019 1.0 -1.0 -1.0 1973409 ChemDiv1_006679 CCCCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc4OCOc4c3)/SC2=S)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P14 compound treatment 0.504 0.154 1.0 0.483 0.133 1.0 -1.0 -1.0 1973410 ChemDiv1_006680 CCOC(=O)c1sc(NC(=O)Cn2c3ccccc3c(=O)c4ccccc24)nc1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P15 compound treatment 0.365 0.015 1.0 0.368 0.018 1.0 -1.0 -1.0 1973411 ChemDiv1_006681 COC(=O)COc1ccc2c(=O)c(c3ccc(OC)c(OC)c3)c(oc2c1)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P16 compound treatment 0.357 0.007 1.0 0.361 0.011 1.0 -1.0 -1.0 1973412 ChemDiv1_006682 COc1ccccc1Oc2ccc(cc2NC(=O)Cn3c4ccccc4c(=O)c5ccccc35)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P17 compound treatment 0.365 0.015 1.0 0.359 0.009 1.0 -1.0 -1.0 1973413 ChemDiv1_006683 COc1ccc(cc1OC)c2c(oc3cc(OC(=O)c4ccco4)ccc3c2=O)C(F)(F)F 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P18 compound treatment 0.384 0.034 1.0 0.381 0.031 1.0 -1.0 -1.0 1973414 ChemDiv1_006684 CC(N1C(=O)c2ccccc2C1=O)C(=O)N3C(C)CC(N(C(=O)c4cccc(c4)[N+](=O)[O-])c5ccccc5)c6ccccc36 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P19 compound treatment 0.354 0.004 1.0 0.362 0.012 1.0 -1.0 -1.0 1973415 ChemDiv1_006685 CCN1CCN(Cc2c(O)ccc3c(=O)c(c4ccc(OC)c(OC)c4)c(oc23)C(F)(F)F)CC1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P20 compound treatment 0.355 0.005 1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973416 ChemDiv1_006686 O=C(CSc1nc2CCCCCc2cc1C#N)Nc3ccccc3C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P21 compound treatment 0.36 0.01 1.0 0.348 -0.002 -1.0 -1.0 -1.0 1186170 ChemDiv1_006687 Cc1ccc(cc1NC(=O)c2sc3ccccc3c2Cl)c4nc5cc(Cl)ccc5o4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P22 compound treatment 0.364 0.014 1.0 0.355 0.005 1.0 -1.0 -1.0 1973417 ChemDiv1_006688 Fc1ccc(cc1)c2ccc(/C=C/3\C(=O)NC(=O)N(C3=O)c4ccc5OCOc5c4)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.605 P24 positive control 0.096 -0.254 -1.0 0.093 -0.257 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A01 compound treatment 0.363 0.013 1.0 0.369 0.019 1.0 -1.0 -1.0 1973418 ChemDiv1_006689 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc4OCOc4c3)ccc1OCc5ccc(cc5)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A02 compound treatment 0.365 0.015 1.0 0.371 0.021 1.0 -1.0 -1.0 1928687 ChemDiv1_006690 O=C(CCN1C(=O)/C(=C/c2cccs2)/SC1=S)Nc3nc4ccccc4s3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A03 compound treatment 0.338 -0.012 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973419 ChemDiv1_006691 CCN(CC)c1cc(Nc2ccc(cc2)c3ccccc3)c([N+](=O)[O-])c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A04 compound treatment 0.364 0.014 1.0 0.367 0.017 1.0 -1.0 -1.0 1973420 ChemDiv1_006692 Brc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3ccc(o3)N4CCCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A05 compound treatment 0.352 0.002 1.0 0.357 0.007 1.0 -1.0 -1.0 1973421 ChemDiv1_006693 CCN(CC)c1cc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A06 compound treatment 0.367 0.017 1.0 0.372 0.022 1.0 -1.0 -1.0 1973422 ChemDiv1_006694 CN1C(=O)C(=Cc2cc(C)n(c2C)c3ccc(cc3C)[N+](=O)[O-])C(=O)N(C)C1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A07 compound treatment 0.347 -0.003 -1.0 0.353 0.003 1.0 -1.0 -1.0 1973423 ChemDiv1_006695 COc1ccccc1Nc2cc(N3CCCCCC3)c4nonc4c2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A08 compound treatment 0.356 0.006 1.0 0.369 0.019 1.0 -1.0 -1.0 1973424 ChemDiv1_006696 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A09 compound treatment 0.361 0.011 1.0 0.366 0.016 1.0 -1.0 -1.0 1973425 ChemDiv1_006697 COc1ccccc1Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A10 compound treatment 0.333 -0.017 -1.0 0.353 0.003 1.0 -1.0 -1.0 1973426 ChemDiv1_006698 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OC(=O)c3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A11 compound treatment 0.35 0.0 -1.0 0.357 0.007 1.0 -1.0 -1.0 1973427 ChemDiv1_006699 COc1ccc(Nc2cc(N3CCCCC3)c4nonc4c2[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A12 compound treatment 0.362 0.012 1.0 0.373 0.023 1.0 -1.0 -1.0 1973428 ChemDiv1_006700 CCOc1cc(/C=C/2\SC(=N)NC2=O)ccc1OC(=O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A13 compound treatment 0.347 -0.003 -1.0 0.351 0.001 1.0 -1.0 -1.0 1973429 ChemDiv1_006701 [O-][N+](=O)c1c(Nc2ccc(cc2)c3ccccc3)cc(N4CCOCC4)c5nonc15 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A14 compound treatment 0.351 0.001 1.0 0.362 0.012 1.0 -1.0 -1.0 1502754 ChemDiv1_006702 COC(=O)c1ccc(CSc2nc(N3CCOCC3)c4COC(C)(C)Cc4c2C#N)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A15 compound treatment 0.353 0.003 1.0 0.359 0.009 1.0 -1.0 -1.0 1973430 ChemDiv1_006703 [O-][N+](=O)c1c(Nc2ccc(Cl)cc2)cc(N3CCOCC3)c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A16 compound treatment 0.406 0.056 1.0 0.415 0.065 1.0 -1.0 -1.0 1973431 ChemDiv1_006704 Oc1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)cc1[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A17 compound treatment 0.344 -0.006 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1518178 ChemDiv1_006705 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccccc2Cl)C(=O)Nc3ccccc3OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A18 compound treatment 0.348 -0.002 -1.0 0.358 0.008 1.0 -1.0 -1.0 1973432 ChemDiv1_006706 CCOC(=O)Cn1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A19 compound treatment 0.347 -0.003 -1.0 0.357 0.007 1.0 -1.0 -1.0 1973433 ChemDiv1_006707 CCOC(=O)C1=CN(C=C(C1c2cc(Br)ccc2OC)C(=O)OCC)c3ccc(OCC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A20 compound treatment 0.327 -0.023 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1973434 ChemDiv1_006708 CCOc1ccc(/C=C\2/C(=O)NC(=S)N(C2=O)c3ccc(Br)cc3)c(OCC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A21 compound treatment 0.365 0.015 1.0 0.373 0.023 1.0 -1.0 -1.0 1973435 ChemDiv1_006709 COc1cc(/C=C\2/SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A22 compound treatment 0.349 -0.001 -1.0 0.354 0.004 1.0 -1.0 -1.0 1973436 ChemDiv1_006710 Cn1c2ccccc2c3nnc(SCC(=O)Nc4nc5ccc(cc5s4)[N+](=O)[O-])nc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 A24 positive control 0.079 -0.271 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B01 compound treatment 0.618 0.268 1.0 0.622 0.272 1.0 -1.0 -1.0 1973437 ChemDiv1_006711 Cc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)c(C)n1c4cc(cc(c4)C(=O)O)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B02 compound treatment 0.352 0.002 1.0 0.352 0.002 1.0 -1.0 -1.0 1233873 ChemDiv1_006712 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccccc3)C(=O)Nc4nc5ccc(Br)cc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B03 compound treatment 0.314 -0.036 -1.0 0.355 0.005 1.0 -1.0 -1.0 1973438 ChemDiv1_006713 Brc1ccc(cc1)N2C(=O)/C(=C/c3cccn3c4ccccc4)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B04 compound treatment 0.428 0.078 1.0 0.419 0.069 1.0 -1.0 -1.0 1605926 ChemDiv1_006714 COc1ccc(OC)c(c1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B05 compound treatment 0.342 -0.008 -1.0 0.352 0.002 1.0 -1.0 -1.0 1973439 ChemDiv1_006715 CCc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C(=O)O)cc3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B06 compound treatment 0.364 0.014 1.0 0.378 0.028 1.0 -1.0 -1.0 1700200 ChemDiv1_006716 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cccc(Br)c3)C(=O)Nc4cccc(C)n4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B07 compound treatment 0.357 0.007 1.0 0.365 0.015 1.0 -1.0 -1.0 1973440 ChemDiv1_006717 CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc4OCOc4c3)cc(CC=C)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B08 compound treatment 0.389 0.039 1.0 0.391 0.041 1.0 -1.0 -1.0 1548058 ChemDiv1_006718 CC1=C(C(C2=C(CCCC2=O)N1)c3ccccc3Cl)C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B09 compound treatment 0.347 -0.003 -1.0 0.36 0.01 1.0 -1.0 -1.0 1973441 ChemDiv1_006719 CC(Oc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(C)cc3C)cc1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B10 compound treatment 0.357 0.007 1.0 0.374 0.024 1.0 -1.0 -1.0 1267439 ChemDiv1_006720 CC1=C(C(C2=C(CCCC2=O)N1)c3ccc(Cl)cc3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B11 compound treatment 0.337 -0.013 -1.0 0.353 0.003 1.0 -1.0 -1.0 1973442 ChemDiv1_006721 OC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cccc(F)c3)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B12 compound treatment 0.373 0.023 1.0 0.389 0.039 1.0 -1.0 -1.0 1469298 ChemDiv1_006722 COc1ccc(C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B13 compound treatment 0.366 0.016 1.0 0.372 0.022 1.0 -1.0 -1.0 1219279 ChemDiv1_006723 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccccc4C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B14 compound treatment 0.377 0.027 1.0 0.385 0.035 1.0 -1.0 -1.0 1714214 ChemDiv1_006724 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B15 compound treatment 0.363 0.013 1.0 0.356 0.006 1.0 -1.0 -1.0 1511300 ChemDiv1_006725 CCOc1ccc(NC(=O)C(C)CSc2nc3ccc(NC(=O)CC)cc3s2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B16 compound treatment 0.331 -0.019 -1.0 0.357 0.007 1.0 -1.0 -1.0 1608255 ChemDiv1_006726 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc(Br)cc3)C(=O)Nc4cc(C)ccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B17 compound treatment 0.348 -0.002 -1.0 0.352 0.002 1.0 -1.0 -1.0 1973443 ChemDiv1_006727 CCOC(=O)N1CCN(CC1)C(=O)CN(c2ccc(Cl)c(c2)C(F)(F)F)S(=O)(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B18 compound treatment 0.35 0.0 -1.0 0.36 0.01 1.0 -1.0 -1.0 1485444 ChemDiv1_006728 CN(C)c1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B19 compound treatment 0.351 0.001 1.0 0.355 0.005 1.0 -1.0 -1.0 1973444 ChemDiv1_006729 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(ccc3N4CCOCC4)[N+](=O)[O-])c(=O)n2C1c5ccc(OC)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B20 compound treatment 0.381 0.031 1.0 0.393 0.043 1.0 -1.0 -1.0 1183823 ChemDiv1_006730 CC1=C(C(C2=C(CCCC2=O)N1)c3cccc(Oc4ccccc4)c3)C(=O)Nc5ccc(C)cn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B21 compound treatment 0.374 0.024 1.0 0.347 -0.003 -1.0 -1.0 -1.0 1716216 ChemDiv1_006731 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(c4ccccc4)c(n3)c5ccccc5)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B22 compound treatment 0.325 -0.025 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1973445 ChemDiv1_006732 CCOC(=O)C1=C(N)OC2=C(C1c3ccccc3)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 B24 positive control 0.078 -0.272 -1.0 0.079 -0.271 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C01 compound treatment 0.361 0.011 1.0 0.372 0.022 1.0 -1.0 -1.0 1973446 ChemDiv1_006733 CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc4OCOc4c3)cc(Br)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C02 compound treatment 0.35 0.0 -1.0 0.359 0.009 1.0 -1.0 -1.0 1973447 ChemDiv1_006734 Clc1ccc(cc1)N2C(=O)/C(=C/c3ccc(o3)N4CCCCC4)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C03 compound treatment 0.339 -0.011 -1.0 0.352 0.002 1.0 -1.0 -1.0 1973448 ChemDiv1_006735 CCN(CC)c1cc(Nc2cccc(OC)c2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C04 compound treatment 0.372 0.022 1.0 0.389 0.039 1.0 -1.0 -1.0 1973449 ChemDiv1_006736 Cc1cc(Br)ccc1N2C(=O)/C(=C/c3ccc(o3)N4CCCC4)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C05 compound treatment 0.342 -0.008 -1.0 0.355 0.005 1.0 -1.0 -1.0 1973450 ChemDiv1_006737 COc1cccc(Nc2cc(N3CCCCCC3)c4nonc4c2[N+](=O)[O-])c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C06 compound treatment 0.35 0.0 -1.0 0.36 0.01 1.0 -1.0 -1.0 1973451 ChemDiv1_006738 Brc1ccc(cc1)C(=O)Oc2ccc(NC3=NS(=O)(=O)c4ccccc34)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C07 compound treatment 0.349 -0.001 -1.0 0.359 0.009 1.0 -1.0 -1.0 1973452 ChemDiv1_006739 [O-][N+](=O)c1c(Nc2ccc(Cl)cc2)cc(N3CCCCCC3)c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C08 compound treatment 0.325 -0.025 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1973453 ChemDiv1_006740 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C09 compound treatment 0.39 0.04 1.0 0.388 0.038 1.0 -1.0 -1.0 1973454 ChemDiv1_006741 CCNc1cc(Nc2ccc(cc2)c3ccccc3)c([N+](=O)[O-])c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C10 compound treatment 0.325 -0.025 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1973455 ChemDiv1_006742 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc3ccccc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C11 compound treatment 0.388 0.038 1.0 0.403 0.053 1.0 -1.0 -1.0 1973456 ChemDiv1_006743 CN(c1ccccc1)c2cc(N3CCCCC3)c4nonc4c2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C12 compound treatment 0.346 -0.004 -1.0 0.362 0.012 1.0 -1.0 -1.0 1973457 ChemDiv1_006744 COc1ccc(/C=C/2\SC(=N)NC2=O)cc1OC(=O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C13 compound treatment 0.4 0.05 1.0 0.41 0.06 1.0 -1.0 -1.0 1973458 ChemDiv1_006745 COc1cccc(Nc2cc(N3CCOCC3)c4nonc4c2[N+](=O)[O-])c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C14 compound treatment 0.4 0.05 1.0 0.41 0.06 1.0 -1.0 -1.0 1582116 ChemDiv1_006746 CNC(=O)c1ccc(o1)c2sc3nc(N4CCOCC4)c5CCCCc5c3c2N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C15 compound treatment 0.345 -0.005 -1.0 0.358 0.008 1.0 -1.0 -1.0 1558534 ChemDiv1_006747 Clc1cc(ccc1NC(=O)Cc2ccccc2)N3C(=O)C4C5CC(C=C5)C4C3=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C16 compound treatment 0.357 0.007 1.0 0.368 0.018 1.0 -1.0 -1.0 1946364 ChemDiv1_006748 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)c(cc1OC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C17 compound treatment 0.351 0.001 1.0 0.357 0.007 1.0 -1.0 -1.0 1973459 ChemDiv1_006749 CCOC(=O)C1=CN(C=C(C1c2ccc(OC)c(Br)c2)C(=O)OCC)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C18 compound treatment 0.347 -0.003 -1.0 0.355 0.005 1.0 -1.0 -1.0 1973460 ChemDiv1_006750 COC(=O)COc1ccccc1/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C19 compound treatment 0.345 -0.005 -1.0 0.354 0.004 1.0 -1.0 -1.0 1973461 ChemDiv1_006751 Cc1ccc(cc1)C2NC(Cc3c2[nH]c4ccccc34)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C20 compound treatment 0.341 -0.009 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1701814 ChemDiv1_006752 CC1C=C(C)CC2C1C(=O)N(C2=O)c3ccc(cc3)C(=O)Nc4ccc(NC(=O)C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C21 compound treatment 0.353 0.003 1.0 0.383 0.033 1.0 -1.0 -1.0 1973462 ChemDiv1_006753 COc1cc(/C=C\2/SC(=S)N(CCC(=O)N3CCOCC3)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C22 compound treatment 0.345 -0.005 -1.0 0.359 0.009 1.0 -1.0 -1.0 1973463 ChemDiv1_006754 [O-][N+](=O)c1ccc2nc(NC(=O)CSc3nnc4c5ccccc5n(CC=C)c4n3)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 C24 positive control 0.079 -0.271 -1.0 0.08 -0.27 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D01 compound treatment 0.36 0.01 1.0 0.363 0.013 1.0 -1.0 -1.0 1973464 ChemDiv1_006755 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc(Br)c(o3)N4CCOCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D02 compound treatment 0.367 0.017 1.0 0.375 0.025 1.0 -1.0 -1.0 1315943 ChemDiv1_006756 COc1cccc(c1)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D03 compound treatment 0.352 0.002 1.0 0.387 0.037 1.0 -1.0 -1.0 1973465 ChemDiv1_006757 Brc1ccc(cc1)n2cccc2/C=C/3\C(=O)NC(=S)N(C3=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D04 compound treatment 0.399 0.049 1.0 0.416 0.066 1.0 -1.0 -1.0 1432188 ChemDiv1_006758 COc1ccc(OC)c(c1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4nc5ccc(Br)cc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D05 compound treatment 0.488 0.138 1.0 0.493 0.143 1.0 -1.0 -1.0 1973466 ChemDiv1_006759 Cc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccc(Cl)cc3)c(C)n1c4cc(cc(c4)C(=O)O)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D06 compound treatment 0.339 -0.011 -1.0 0.354 0.004 1.0 -1.0 -1.0 1973467 ChemDiv1_006760 CC1=C(C(C2=C(CCCC2=O)N1)c3ccccc3C(F)(F)F)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D07 compound treatment 0.462 0.112 1.0 0.518 0.168 1.0 -1.0 -1.0 1973468 ChemDiv1_006761 COc1cc(/C=C/2\C(=C(C#N)c3nc(N)c(C#N)c(C)c23)C)ccc1OCc4cccc(c4)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D08 compound treatment 0.352 0.002 1.0 0.366 0.016 1.0 -1.0 -1.0 1852042 ChemDiv1_006762 CC1=C(C(C2=C(CCCC2=O)N1)c3cc(ccc3Cl)[N+](=O)[O-])C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D09 compound treatment 0.338 -0.012 -1.0 0.355 0.005 1.0 -1.0 -1.0 1973469 ChemDiv1_006763 CCOc1ccc(cc1)N2C(=O)/C(=C/c3cc(CC=C)c(O)c(OCC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D10 compound treatment 0.347 -0.003 -1.0 0.364 0.014 1.0 -1.0 -1.0 1852080 ChemDiv1_006764 CC1=C(C(C2=C(CCCC2=O)N1)c3ccc(Cl)c(c3)[N+](=O)[O-])C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D11 compound treatment 0.34 -0.01 -1.0 0.355 0.005 1.0 -1.0 -1.0 1973470 ChemDiv1_006765 COc1ccc(cc1)N2C(=O)/C(=C/c3cc(Br)c(o3)N4CCOCC4)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D12 compound treatment 0.361 0.011 1.0 0.377 0.027 1.0 -1.0 -1.0 1630028 ChemDiv1_006766 COc1ccc(C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4nc5ccccc5s4)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D13 compound treatment 0.35 0.0 -1.0 0.361 0.011 1.0 -1.0 -1.0 1491586 ChemDiv1_006767 Cn1nnnc1SCC(=O)Nc2ccc3nc(SCc4ccccc4F)sc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D14 compound treatment 0.37 0.02 1.0 0.38 0.03 1.0 -1.0 -1.0 1450622 ChemDiv1_006768 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4cccc(C)n4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D15 compound treatment 0.329 -0.021 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1945672 ChemDiv1_006769 COc1ccc(Cl)cc1N(CC(=O)N2CCCCCC2)S(=O)(=O)c3ccc(C)c(c3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D16 compound treatment 0.36 0.01 1.0 0.369 0.019 1.0 -1.0 -1.0 1852124 ChemDiv1_006770 CC1=C(C(C2=C(CCCC2=O)N1)c3cccc(c3)[N+](=O)[O-])C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D17 compound treatment 0.349 -0.001 -1.0 0.363 0.013 1.0 -1.0 -1.0 1973471 ChemDiv1_006771 COc1ccc(cc1OC)N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D18 compound treatment 0.355 0.005 1.0 0.378 0.028 1.0 -1.0 -1.0 1386387 ChemDiv1_006772 CN(C)c1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D19 compound treatment 0.339 -0.011 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973472 ChemDiv1_006773 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(ccc3N4CCOCC4)[N+](=O)[O-])c(=O)n2C1c5cccs5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D20 compound treatment 0.34 -0.01 -1.0 0.368 0.018 1.0 -1.0 -1.0 1667579 ChemDiv1_006774 CC1=C(C(C2=C(CCCC2=O)N1)c3cccc(Oc4ccccc4)c3)C(=O)Nc5cc(C)ccn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D21 compound treatment 0.349 -0.001 -1.0 0.358 0.008 1.0 -1.0 -1.0 1494061 ChemDiv1_006775 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc(c(o3)c4ccccc4)c5ccccc5)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D22 compound treatment 0.354 0.004 1.0 0.366 0.016 1.0 -1.0 -1.0 1973473 ChemDiv1_006776 CCOC(=O)C1=C(N)OC2=C(C1c3cccc(OC)c3)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 D24 positive control 0.08 -0.27 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E01 compound treatment 0.559 0.209 1.0 0.568 0.218 1.0 -1.0 -1.0 1973474 ChemDiv1_006777 Cc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)N4CCOCC4)c5ccccc35)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E02 compound treatment 0.477 0.127 1.0 0.449 0.099 1.0 -1.0 -1.0 1973475 ChemDiv1_006778 Clc1cccc(c1)N2C(=O)/C(=C/c3ccc(o3)N4CCCCC4)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E03 compound treatment 0.465 0.115 1.0 0.491 0.141 1.0 -1.0 -1.0 1973476 ChemDiv1_006779 CCN(CC)c1cc(N(C)c2ccccc2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E04 compound treatment 0.39 0.04 1.0 0.419 0.069 1.0 -1.0 -1.0 1973477 ChemDiv1_006780 Clc1cccc(N2C(=O)/C(=C/c3ccc(o3)N4CCCC4)/C(=O)NC2=S)c1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E05 compound treatment 0.34 -0.01 -1.0 0.357 0.007 1.0 -1.0 -1.0 1973478 ChemDiv1_006781 CCOc1ccc(Nc2cc(N3CCCCCC3)c4nonc4c2[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E06 compound treatment 0.362 0.012 1.0 0.373 0.023 1.0 -1.0 -1.0 1973479 ChemDiv1_006782 [O-][N+](=O)c1cccc(c1)C(=O)Oc2cccc(NC3=NS(=O)(=O)c4ccccc34)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E07 compound treatment 0.351 0.001 1.0 0.37 0.02 1.0 -1.0 -1.0 1973480 ChemDiv1_006783 CN(C)c1cc(Nc2ccc(cc2)c3ccccc3)c([N+](=O)[O-])c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E08 compound treatment 0.336 -0.014 -1.0 0.355 0.005 1.0 -1.0 -1.0 1973481 ChemDiv1_006784 COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E09 compound treatment 0.428 0.078 1.0 0.432 0.082 1.0 -1.0 -1.0 1973482 ChemDiv1_006785 CCNc1cc(Nc2ccc(OC)cc2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E10 compound treatment 0.354 0.004 1.0 0.365 0.015 1.0 -1.0 -1.0 1973483 ChemDiv1_006786 COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc3ccccc3Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E11 compound treatment 0.348 -0.002 -1.0 0.36 0.01 1.0 -1.0 -1.0 1973484 ChemDiv1_006787 [O-][N+](=O)c1c(Nc2ccc(SC#N)cc2)cc(N3CCCCC3)c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E12 compound treatment 0.373 0.023 1.0 0.374 0.024 1.0 -1.0 -1.0 1973485 ChemDiv1_006788 COc1ccc(cc1)C(=O)Oc2c(Cl)cc(/C=C/3\SC(=N)NC3=O)cc2OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E13 compound treatment 0.363 0.013 1.0 0.371 0.021 1.0 -1.0 -1.0 1973486 ChemDiv1_006789 COc1ccc(Nc2cc(N3CCOCC3)c4nonc4c2[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E14 compound treatment 0.352 0.002 1.0 0.364 0.014 1.0 -1.0 -1.0 1973487 ChemDiv1_006790 Cc1ccccc1n2c(=O)c3c4CCCCc4sc3n5c(SCC(=O)N)nnc25 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E15 compound treatment 0.405 0.055 1.0 0.397 0.047 1.0 -1.0 -1.0 1601464 ChemDiv1_006791 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OC)c3O)c(=O)n2C1c4ccc(OC)c(OC)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E16 compound treatment 0.337 -0.013 -1.0 0.352 0.002 1.0 -1.0 -1.0 1973488 ChemDiv1_006792 COc1cc(OC)c(cc1/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E17 compound treatment 0.352 0.002 1.0 0.364 0.014 1.0 -1.0 -1.0 1250417 ChemDiv1_006793 CCOC(=O)c1c(C)c(sc1NC(=O)c2ccc(Cl)cc2)C(=O)Nc3ccccc3OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E18 compound treatment 0.318 -0.032 -1.0 0.328 -0.022 -1.0 -1.0 -1.0 1973489 ChemDiv1_006794 COc1cccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3cccc(Br)c3)c1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E19 compound treatment 0.343 -0.007 -1.0 0.336 -0.014 -1.0 -1.0 -1.0 1131798 ChemDiv1_006795 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OCC(O)CN4CCOCC4)cc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E20 compound treatment 0.345 -0.005 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1973490 ChemDiv1_006796 CN1CCN(CC1)c2ccc(/C=C\3/C(=NN(C3=O)c4cccc(c4)C(=O)O)C)cc2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E21 compound treatment 0.372 0.022 1.0 0.376 0.026 1.0 -1.0 -1.0 1973491 ChemDiv1_006797 COc1cc(/C=C\2/SC(=S)N(CCC(=O)NC3=NCCS3)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E22 compound treatment 0.326 -0.024 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1973492 ChemDiv1_006798 [O-][N+](=O)c1ccc(Nc2csc(NC(=O)CSc3nnc4c5ccccc5n(CC=C)c4n3)n2)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 E24 positive control 0.082 -0.268 -1.0 0.082 -0.268 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F01 compound treatment 0.779 0.429 1.0 0.776 0.426 1.0 -1.0 -1.0 1973493 ChemDiv1_006799 CN1C(=O)N(C)C(=O)C(=Cc2cc(C)n(c2C)c3cc(cc(c3)C(=O)O)C(=O)O)C1=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F02 compound treatment 0.378 0.028 1.0 0.38 0.03 1.0 -1.0 -1.0 1555897 ChemDiv1_006800 COc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F03 compound treatment 0.41 0.06 1.0 0.426 0.076 1.0 -1.0 -1.0 1973494 ChemDiv1_006801 COc1ccc(cc1)N2C(=O)/C(=C/c3cccn3c4ccc(Cl)cc4)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F04 compound treatment 0.375 0.025 1.0 0.385 0.035 1.0 -1.0 -1.0 1201108 ChemDiv1_006802 COc1cccc(C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F05 compound treatment 0.346 -0.004 -1.0 0.366 0.016 1.0 -1.0 -1.0 1973495 ChemDiv1_006803 Clc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3cc(Br)c(o3)N4CCOCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F06 compound treatment 0.352 0.002 1.0 0.356 0.006 1.0 -1.0 -1.0 1973496 ChemDiv1_006804 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccccc3C(F)(F)F)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F07 compound treatment 0.351 0.001 1.0 0.358 0.008 1.0 -1.0 -1.0 1973497 ChemDiv1_006805 COc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C(=O)O)cc3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F08 compound treatment 0.371 0.021 1.0 0.382 0.032 1.0 -1.0 -1.0 1852048 ChemDiv1_006806 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc(ccc3Cl)[N+](=O)[O-])C(=O)Nc4ccccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F09 compound treatment 0.369 0.019 1.0 0.389 0.039 1.0 -1.0 -1.0 1973498 ChemDiv1_006807 CCc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OC(C)C(=O)O)cc3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F10 compound treatment 0.345 -0.005 -1.0 0.365 0.015 1.0 -1.0 -1.0 1852087 ChemDiv1_006808 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc(Cl)c(c3)[N+](=O)[O-])C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F11 compound treatment 0.342 -0.008 -1.0 0.359 0.009 1.0 -1.0 -1.0 1973499 ChemDiv1_006809 CC(Oc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3F)cc1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F12 compound treatment 0.372 0.022 1.0 0.37 0.02 1.0 -1.0 -1.0 1376959 ChemDiv1_006810 COc1ccc(C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4ccc(Br)cn4)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F13 compound treatment 0.357 0.007 1.0 0.36 0.01 1.0 -1.0 -1.0 1727847 ChemDiv1_006811 Cn1cnnc1SCC(=O)Nc2ccc3nc(SCc4ccccc4F)sc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F14 compound treatment 0.36 0.01 1.0 0.377 0.027 1.0 -1.0 -1.0 1520173 ChemDiv1_006812 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(C)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F15 compound treatment 0.326 -0.024 -1.0 0.39 0.04 1.0 -1.0 -1.0 1227554 ChemDiv1_006813 CCOc1ccc(cc1)N(CC(=O)N2CCN(CC2)c3ccccc3OC)S(=O)(=O)c4ccc(Cl)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F16 compound treatment 0.362 0.012 1.0 0.377 0.027 1.0 -1.0 -1.0 1852128 ChemDiv1_006814 CC1=C(C(C2=C(CCCC2=O)N1)c3cccc(c3)[N+](=O)[O-])C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F17 compound treatment 0.343 -0.007 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1973500 ChemDiv1_006815 COc1ccc(Cl)cc1N(CC(=O)N2CCN(CC2)c3ccccc3OC)S(=O)(=O)c4ccc(C)c(c4)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F18 compound treatment 0.363 0.013 1.0 0.371 0.021 1.0 -1.0 -1.0 1438640 ChemDiv1_006816 CC1=C(C(C2=C(CCCC2=O)N1)c3ccc4OCOc4c3)C(=O)Nc5ccc(Br)cn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F19 compound treatment 0.359 0.009 1.0 0.376 0.026 1.0 -1.0 -1.0 1615288 ChemDiv1_006817 CCOC(=O)COc1ccc(C=c2sc3=NC(=C(C(c4cccs4)n3c2=O)C(=O)OCC)C)cc1OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F20 compound treatment 0.357 0.007 1.0 0.353 0.003 1.0 -1.0 -1.0 1652150 ChemDiv1_006818 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cccc(Oc4ccccc4)c3)C(=O)Nc5ccccn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F21 compound treatment 0.338 -0.012 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1350182 ChemDiv1_006819 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(N)s3)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F22 compound treatment 0.362 0.012 1.0 0.382 0.032 1.0 -1.0 -1.0 1973501 ChemDiv1_006820 COC(=O)C1=C(N)OC2=C(C1c3cccc(OC)c3)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 F24 positive control 0.082 -0.268 -1.0 0.083 -0.267 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G01 compound treatment 0.366 0.016 1.0 0.374 0.024 1.0 -1.0 -1.0 1554461 ChemDiv1_006821 O=S(=O)(N1CCCCCC1)c2cccc3nonc23 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G02 compound treatment 0.549 0.199 1.0 0.56 0.21 1.0 -1.0 -1.0 1973502 ChemDiv1_006822 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(o3)N4CCCCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G03 compound treatment 0.365 0.015 1.0 0.369 0.019 1.0 -1.0 -1.0 1973503 ChemDiv1_006823 CCN(CC)c1cc(Nc2ccc(SC#N)cc2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G04 compound treatment 0.321 -0.029 -1.0 0.353 0.003 1.0 -1.0 -1.0 1973504 ChemDiv1_006824 Fc1ccccc1N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c5ccccc35)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G05 compound treatment 0.366 0.016 1.0 0.378 0.028 1.0 -1.0 -1.0 1973505 ChemDiv1_006825 COc1ccc(Nc2cc(N3CCCCCC3)c4nonc4c2[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G06 compound treatment 0.354 0.004 1.0 0.374 0.024 1.0 -1.0 -1.0 1973506 ChemDiv1_006826 [O-][N+](=O)c1cccc(c1)C(=O)Oc2ccccc2NC3=NS(=O)(=O)c4ccccc34 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G07 compound treatment 0.364 0.014 1.0 0.378 0.028 1.0 -1.0 -1.0 1973507 ChemDiv1_006827 CCOc1ccc(Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G08 compound treatment 0.351 0.001 1.0 0.371 0.021 1.0 -1.0 -1.0 1973508 ChemDiv1_006828 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G09 compound treatment 0.361 0.011 1.0 0.375 0.025 1.0 -1.0 -1.0 1973509 ChemDiv1_006829 CCNc1cc(Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G10 compound treatment 0.407 0.057 1.0 0.423 0.073 1.0 -1.0 -1.0 1973510 ChemDiv1_006830 CCOc1cc(/C=C/2\SC(=N)NC2=O)ccc1OCc3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G11 compound treatment 0.349 -0.001 -1.0 0.363 0.013 1.0 -1.0 -1.0 1973511 ChemDiv1_006831 CCN(c1ccccc1)c2cc(N3CCCCC3)c4nonc4c2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G12 compound treatment 0.358 0.008 1.0 0.386 0.036 1.0 -1.0 -1.0 1973512 ChemDiv1_006832 CCOc1cc(/C=C/2\SC(=N)NC2=O)cc(Cl)c1OC(=O)c3ccc(OC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G13 compound treatment 0.577 0.227 1.0 0.59 0.24 1.0 -1.0 -1.0 1973513 ChemDiv1_006833 CN(c1ccccc1)c2cc(N3CCOCC3)c4nonc4c2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G14 compound treatment 0.35 0.0 -1.0 0.361 0.011 1.0 -1.0 -1.0 1973514 ChemDiv1_006834 O=C1C2C(C3CCC2C=C3)C(=O)N1c4nccs4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G15 compound treatment 0.397 0.047 1.0 0.439 0.089 1.0 -1.0 -1.0 1973515 ChemDiv1_006835 COc1cccc(c1)C2C(=C(C)N=c3sc(=Cc4cn(CC#N)c5ccccc45)c(=O)n23)C(=O)Nc6ccccc6 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G16 compound treatment 0.333 -0.017 -1.0 0.351 0.001 1.0 -1.0 -1.0 1945940 ChemDiv1_006836 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)ccc1O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G17 compound treatment 0.358 0.008 1.0 0.372 0.022 1.0 -1.0 -1.0 1935926 ChemDiv1_006837 CCOC(=O)C1=CN(C=C(C1c2cc(OC)c(OC)c(OC)c2)C(=O)OCC)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G18 compound treatment 0.342 -0.008 -1.0 0.359 0.009 1.0 -1.0 -1.0 1973516 ChemDiv1_006838 COc1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3cccc(Br)c3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G19 compound treatment 0.341 -0.009 -1.0 0.356 0.006 1.0 -1.0 -1.0 1940449 ChemDiv1_006839 O=C(CC1S/C(=N\c2ccccc2)/N(C1=O)c3ccccc3)Nc4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G20 compound treatment 0.35 0.0 -1.0 0.366 0.016 1.0 -1.0 -1.0 1951238 ChemDiv1_006840 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)S(=O)(=O)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G21 compound treatment 0.334 -0.016 -1.0 0.343 -0.007 -1.0 -1.0 -1.0 1927911 ChemDiv1_006841 COc1cc(/C=C\2/SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G22 compound treatment 0.347 -0.003 -1.0 0.356 0.006 1.0 -1.0 -1.0 1678680 ChemDiv1_006842 CCC(Sc1nc2ccccc2s1)C(=O)Nc3ccc(cc3)S(=O)(=O)N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 G24 positive control 0.083 -0.267 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H01 compound treatment 0.376 0.026 1.0 0.396 0.046 1.0 -1.0 -1.0 1973517 ChemDiv1_006843 Brc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3)oc1N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H02 compound treatment 0.378 0.028 1.0 0.39 0.04 1.0 -1.0 -1.0 1549636 ChemDiv1_006844 COc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H03 compound treatment 0.35 0.0 -1.0 0.361 0.011 1.0 -1.0 -1.0 1973518 ChemDiv1_006845 CCOc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3cc(Br)c(o3)N4CCOCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H04 compound treatment 0.374 0.024 1.0 0.41 0.06 1.0 -1.0 -1.0 1149125 ChemDiv1_006846 COc1cccc(C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4nc5ccccc5s4)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H05 compound treatment 0.381 0.031 1.0 0.37 0.02 1.0 -1.0 -1.0 1973519 ChemDiv1_006847 CCOc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3cc(Br)c(o3)N4CCOCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H06 compound treatment 0.349 -0.001 -1.0 0.362 0.012 1.0 -1.0 -1.0 1973520 ChemDiv1_006848 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccccc3C(F)(F)F)C(=O)Nc4cccc(C)n4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H07 compound treatment 0.274 -0.076 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1973521 ChemDiv1_006849 Brc1cccc(c1)N2C(=O)/C(=C/c3cccn3c4ccccc4)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H08 compound treatment 0.36 0.01 1.0 0.372 0.022 1.0 -1.0 -1.0 1852049 ChemDiv1_006850 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc(ccc3Cl)[N+](=O)[O-])C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H09 compound treatment 0.348 -0.002 -1.0 0.359 0.009 1.0 -1.0 -1.0 1973522 ChemDiv1_006851 Brc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3)oc1N4CCOCC4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H10 compound treatment 0.369 0.019 1.0 0.383 0.033 1.0 -1.0 -1.0 1852089 ChemDiv1_006852 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc(Cl)c(c3)[N+](=O)[O-])C(=O)Nc4ccc(C)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H11 compound treatment 0.348 -0.002 -1.0 0.374 0.024 1.0 -1.0 -1.0 1219784 ChemDiv1_006853 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5cc(OC)c(Br)cc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H12 compound treatment 0.408 0.058 1.0 0.441 0.091 1.0 -1.0 -1.0 1428479 ChemDiv1_006854 COc1ccc(C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4nc5ccccc5s4)c(OC)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H13 compound treatment 0.339 -0.011 -1.0 0.342 -0.008 -1.0 -1.0 -1.0 1126349 ChemDiv1_006855 Cn1ccnc1SCC(=O)Nc2ccc3nc(SCc4ccccc4F)sc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H14 compound treatment 0.365 0.015 1.0 0.382 0.032 1.0 -1.0 -1.0 1472091 ChemDiv1_006856 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4cc(C)ccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H15 compound treatment 0.365 0.015 1.0 0.375 0.025 1.0 -1.0 -1.0 1169056 ChemDiv1_006857 COc1ccc(cc1OC)N(CC(=O)Nc2c(C)n(C)n(c3ccccc3)c2=O)S(=O)(=O)c4ccc(C)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H16 compound treatment 0.337 -0.013 -1.0 0.378 0.028 1.0 -1.0 -1.0 1681353 ChemDiv1_006858 CCOc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H17 compound treatment 0.325 -0.025 -1.0 0.371 0.021 1.0 -1.0 -1.0 1973523 ChemDiv1_006859 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(ccc3N4CCOCC4)[N+](=O)[O-])c(=O)n2C1c5cc(OC)ccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H18 compound treatment 0.384 0.034 1.0 0.386 0.036 1.0 -1.0 -1.0 1852148 ChemDiv1_006860 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc4OCOc4c3)C(=O)Nc5nc6ccccc6s5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H19 compound treatment 0.331 -0.019 -1.0 0.367 0.017 1.0 -1.0 -1.0 1973524 ChemDiv1_006861 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(ccc3N4CCOCC4)[N+](=O)[O-])c(=O)n2C1c5ccc(OC)c(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H20 compound treatment 0.349 -0.001 -1.0 0.362 0.012 1.0 -1.0 -1.0 1683872 ChemDiv1_006862 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cccc(Oc4ccccc4)c3)C(=O)Nc5cccc(C)n5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H21 compound treatment 0.324 -0.026 -1.0 0.332 -0.018 -1.0 -1.0 -1.0 1973525 ChemDiv1_006863 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc(cc(c3C#N)C(F)(F)F)c4ccccc4)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H22 compound treatment 0.323 -0.027 -1.0 0.329 -0.021 -1.0 -1.0 -1.0 1973526 ChemDiv1_006864 COc1cccc(C2C(=C(N)OC3=C2C(=O)CC(C3)c4ccccc4)C#N)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 H24 positive control 0.084 -0.266 -1.0 0.084 -0.266 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I01 compound treatment 0.371 0.021 1.0 0.377 0.027 1.0 -1.0 -1.0 1405997 ChemDiv1_006865 CCN(CC)S(=O)(=O)c1cccc2nonc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I02 compound treatment 0.512 0.162 1.0 0.523 0.173 1.0 -1.0 -1.0 1973527 ChemDiv1_006866 Clc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3ccc(o3)N4CCCCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I03 compound treatment 0.421 0.071 1.0 0.429 0.079 1.0 -1.0 -1.0 1973528 ChemDiv1_006867 CCN(CC)c1cc(N(CC)c2ccccc2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I04 compound treatment 0.34 -0.01 -1.0 0.353 0.003 1.0 -1.0 -1.0 1973529 ChemDiv1_006868 CN1C(=O)C(=Cc2ccc(o2)c3ccc(C)cc3Br)C(=O)N(C)C1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I05 compound treatment 0.374 0.024 1.0 0.391 0.041 1.0 -1.0 -1.0 1973530 ChemDiv1_006869 CN(c1ccccc1)c2cc(N3CCCCCC3)c4nonc4c2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I06 compound treatment 0.385 0.035 1.0 0.389 0.039 1.0 -1.0 -1.0 1973531 ChemDiv1_006870 Clc1ccc(COc2ccc(Br)cc2C=C3C(=O)NC(=S)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I07 compound treatment 0.419 0.069 1.0 0.431 0.081 1.0 -1.0 -1.0 1973532 ChemDiv1_006871 COc1ccc(Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I08 compound treatment 0.319 -0.031 -1.0 0.34 -0.01 -1.0 -1.0 -1.0 1973533 ChemDiv1_006872 CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I09 compound treatment 0.386 0.036 1.0 0.419 0.069 1.0 -1.0 -1.0 1973534 ChemDiv1_006873 CCNc1cc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I10 compound treatment 0.356 0.006 1.0 0.373 0.023 1.0 -1.0 -1.0 1973535 ChemDiv1_006874 Clc1ccc(cc1)C(=O)Oc2cccc(/C=C/3\SC(=N)NC3=O)c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I11 compound treatment 0.345 -0.005 -1.0 0.368 0.018 1.0 -1.0 -1.0 1973536 ChemDiv1_006875 [O-][N+](=O)c1c(Nc2ccc(Br)cc2)cc(N3CCCCC3)c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I12 compound treatment 0.32 -0.03 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1623773 ChemDiv1_006876 CCOC(=O)CSc1nc(N2CCCCC2)c3CCCCc3c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I13 compound treatment 0.371 0.021 1.0 0.407 0.057 1.0 -1.0 -1.0 1973537 ChemDiv1_006877 [O-][N+](=O)c1c(Nc2ccc(SC#N)cc2)cc(N3CCOCC3)c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I14 compound treatment 0.369 0.019 1.0 0.383 0.033 1.0 -1.0 -1.0 1973538 ChemDiv1_006878 ClC1=CCC2C(C1)C(=O)N(CCN3CCN(CCN4C(=O)C5CC=C(Cl)CC5C4=O)CC3)C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I15 compound treatment 0.345 -0.005 -1.0 0.357 0.007 1.0 -1.0 -1.0 1973539 ChemDiv1_006879 Oc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I16 compound treatment 0.478 0.128 1.0 0.487 0.137 1.0 -1.0 -1.0 1973540 ChemDiv1_006880 Brc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(o3)N4CCOCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I17 compound treatment 0.353 0.003 1.0 0.362 0.012 1.0 -1.0 -1.0 1973541 ChemDiv1_006881 CCOC(=O)C1=CN(C=C(C1c2ccc(OC)c(Br)c2)C(=O)OCC)c3ccc(OCC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I18 compound treatment 0.346 -0.004 -1.0 0.364 0.014 1.0 -1.0 -1.0 1973542 ChemDiv1_006882 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cccc(Br)c3)c(cc1OC)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I19 compound treatment 0.371 0.021 1.0 0.38 0.03 1.0 -1.0 -1.0 1973543 ChemDiv1_006883 COc1cccc(/C=C\2/SC(=O)N(CCC(=O)Nc3c(C)n(C)n(c4ccccc4)c3=O)C2=O)c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I20 compound treatment 0.426 0.076 1.0 0.429 0.079 1.0 -1.0 -1.0 1927381 ChemDiv1_006884 CCOC(=O)c1ccc(cc1)c2ccc(/C=C\3/C(=NN(C3=O)c4ccc(cc4)S(=O)(=O)N)C)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I21 compound treatment 0.344 -0.006 -1.0 0.368 0.018 1.0 -1.0 -1.0 1928148 ChemDiv1_006885 COc1cc(/C=C\2/SC(=S)N(CCC(=O)NC3(CC4CC5CC(C4)C3)C5)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I22 compound treatment 0.353 0.003 1.0 0.364 0.014 1.0 -1.0 -1.0 1973544 ChemDiv1_006886 CCC(Sc1nncn1C)C(=O)Nc2ccc(cc2)[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 I24 positive control 0.083 -0.267 -1.0 0.085 -0.265 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J01 compound treatment 0.375 0.025 1.0 0.382 0.032 1.0 -1.0 -1.0 1973545 ChemDiv1_006887 CC(Oc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cc(C)cc(C)c3)cc1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J02 compound treatment 0.412 0.062 1.0 0.434 0.084 1.0 -1.0 -1.0 1341254 ChemDiv1_006888 COc1cc(ccc1O)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J03 compound treatment 0.37 0.02 1.0 0.384 0.034 1.0 -1.0 -1.0 1973546 ChemDiv1_006889 CCOc1ccc(cc1)N2C(=O)/C(=C/c3ccc(OC(C)C(=O)O)cc3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J04 compound treatment 0.418 0.068 1.0 0.447 0.097 1.0 -1.0 -1.0 1404566 ChemDiv1_006890 COc1cccc(C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4nc5ccc(Br)cc5s4)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J05 compound treatment 0.581 0.231 1.0 0.601 0.251 1.0 -1.0 -1.0 1973547 ChemDiv1_006891 Cc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3cccc(Cl)c3)c(C)n1c4cc(cc(c4)C(=O)O)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J06 compound treatment 0.364 0.014 1.0 0.371 0.021 1.0 -1.0 -1.0 1973548 ChemDiv1_006892 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccccc3C(F)(F)F)C(=O)Nc4ccc(C)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J07 compound treatment 0.349 -0.001 -1.0 0.361 0.011 1.0 -1.0 -1.0 1973549 ChemDiv1_006893 CC(Oc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3cc(C)cc(C)c3)cc1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J08 compound treatment 0.387 0.037 1.0 0.408 0.058 1.0 -1.0 -1.0 1852050 ChemDiv1_006894 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc(ccc3Cl)[N+](=O)[O-])C(=O)Nc4cccc(C)n4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J09 compound treatment 0.371 0.021 1.0 0.385 0.035 1.0 -1.0 -1.0 1973550 ChemDiv1_006895 Cc1ccccc1N2C(=O)NC(=O)/C(=C\c3cc(Br)c(o3)N4CCOCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J10 compound treatment 0.371 0.021 1.0 0.402 0.052 1.0 -1.0 -1.0 1428037 ChemDiv1_006896 CCN(CC)c1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J11 compound treatment 0.406 0.056 1.0 0.418 0.068 1.0 -1.0 -1.0 1973551 ChemDiv1_006897 COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C1c3cc(OC)c(OC)c(OC)c3)C(=O)OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J12 compound treatment 0.381 0.031 1.0 0.411 0.061 1.0 -1.0 -1.0 1295220 ChemDiv1_006898 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc(F)cc3)C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J13 compound treatment 0.37 0.02 1.0 0.373 0.023 1.0 -1.0 -1.0 1469846 ChemDiv1_006899 Cn1nnnc1SCC(=O)Nc2ccc3nc(SCc4ccccc4Cl)sc3c2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J14 compound treatment 0.395 0.045 1.0 0.42 0.07 1.0 -1.0 -1.0 1719080 ChemDiv1_006900 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J15 compound treatment 0.339 -0.011 -1.0 0.366 0.016 1.0 -1.0 -1.0 1973552 ChemDiv1_006901 FC(F)(F)c1cc(ccc1Cl)N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J16 compound treatment 0.364 0.014 1.0 0.378 0.028 1.0 -1.0 -1.0 1553756 ChemDiv1_006902 CCOc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J17 compound treatment 0.355 0.005 1.0 0.361 0.011 1.0 -1.0 -1.0 1973553 ChemDiv1_006903 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(ccc3N4CCOCC4)[N+](=O)[O-])c(=O)n2C1c5cccc(OC)c5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J18 compound treatment 0.37 0.02 1.0 0.396 0.046 1.0 -1.0 -1.0 1462189 ChemDiv1_006904 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc4OCOc4c3)C(=O)Nc5nc6ccc(Br)cc6s5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J19 compound treatment 0.369 0.019 1.0 0.383 0.033 1.0 -1.0 -1.0 1973554 ChemDiv1_006905 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(ccc3N4CCOCC4)[N+](=O)[O-])c(=O)n2C1c5ccc(F)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J20 compound treatment 0.353 0.003 1.0 0.359 0.009 1.0 -1.0 -1.0 1436311 ChemDiv1_006906 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cccs3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J21 compound treatment 0.338 -0.012 -1.0 0.349 -0.001 -1.0 -1.0 -1.0 1533227 ChemDiv1_006907 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc(C)cc(C)c3C#N)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J22 compound treatment 0.351 0.001 1.0 0.357 0.007 1.0 -1.0 -1.0 1973555 ChemDiv1_006908 CCOC(=O)C1=C(N)OC2=C(C1c3cccc(OC)c3OC)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 J24 positive control 0.084 -0.266 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K01 compound treatment 0.361 0.011 1.0 0.37 0.02 1.0 -1.0 -1.0 1973556 ChemDiv1_006909 CCNS(=O)(=O)c1cccc2nonc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K02 compound treatment 0.401 0.051 1.0 0.404 0.054 1.0 -1.0 -1.0 1973557 ChemDiv1_006910 O=C1NC(=O)/C(=C\c2ccc(o2)N3CCCCC3)/C(=O)N1c4ccc5OCOc5c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K03 compound treatment 0.381 0.031 1.0 0.391 0.041 1.0 -1.0 -1.0 1973558 ChemDiv1_006911 CCN(CC)c1cc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K04 compound treatment 0.373 0.023 1.0 0.39 0.04 1.0 -1.0 -1.0 1973559 ChemDiv1_006912 CN1C(=O)C(=Cc2ccc(o2)c3ccc(cc3Br)[N+](=O)[O-])C(=O)N(C)C1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K05 compound treatment 0.344 -0.006 -1.0 0.353 0.003 1.0 -1.0 -1.0 1973560 ChemDiv1_006913 [O-][N+](=O)c1c(Nc2ccc(SC#N)cc2)cc(N3CCCCCC3)c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K06 compound treatment 0.368 0.018 1.0 0.38 0.03 1.0 -1.0 -1.0 1973561 ChemDiv1_006914 COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K07 compound treatment 0.363 0.013 1.0 0.372 0.022 1.0 -1.0 -1.0 1973562 ChemDiv1_006915 CN(C)c1cc(Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K08 compound treatment 0.318 -0.032 -1.0 0.353 0.003 1.0 -1.0 -1.0 1973563 ChemDiv1_006916 Clc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OC(=O)c3ccccc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K09 compound treatment 0.43 0.08 1.0 0.428 0.078 1.0 -1.0 -1.0 1973564 ChemDiv1_006917 CCNc1cc(Nc2ccccc2OC)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K10 compound treatment 0.358 0.008 1.0 0.39 0.04 1.0 -1.0 -1.0 1973565 ChemDiv1_006918 Clc1ccc(cc1)C(=O)Oc2ccc(/C=C/3\SC(=N)NC3=O)cc2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K11 compound treatment 0.338 -0.012 -1.0 0.36 0.01 1.0 -1.0 -1.0 1973566 ChemDiv1_006919 Cc1ccc(Nc2cc(N3CCCCC3)c4nonc4c2[N+](=O)[O-])cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K12 compound treatment 0.367 0.017 1.0 0.366 0.016 1.0 -1.0 -1.0 1239307 ChemDiv1_006920 CC(C)CCSc1nc(N2CCOCC2)c3COC(C)(C)Cc3c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K13 compound treatment 0.365 0.015 1.0 0.382 0.032 1.0 -1.0 -1.0 1973567 ChemDiv1_006921 [O-][N+](=O)c1c(Nc2ccc(Br)cc2)cc(N3CCOCC3)c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K14 compound treatment 0.381 0.031 1.0 0.393 0.043 1.0 -1.0 -1.0 1973568 ChemDiv1_006922 COC(=O)c1ccc(c(C)c1)n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K15 compound treatment 0.333 -0.017 -1.0 0.347 -0.003 -1.0 -1.0 -1.0 1973569 ChemDiv1_006923 COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)cc(Br)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K16 compound treatment 0.42 0.07 1.0 0.433 0.083 1.0 -1.0 -1.0 1973570 ChemDiv1_006924 Cc1[nH]c2ccccc2c1/C=C/3\C(=O)NC(=O)N(C3=O)c4ccc(Br)cc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K17 compound treatment 0.352 0.002 1.0 0.373 0.023 1.0 -1.0 -1.0 1973571 ChemDiv1_006925 CCOC(=O)C1=CN(C=C(C1c2cc(Br)ccc2OC)C(=O)OCC)c3ccc(C)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K18 compound treatment 0.572 0.222 1.0 0.594 0.244 1.0 -1.0 -1.0 1973572 ChemDiv1_006926 CN(C)c1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cccc(Br)c3)o1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K19 compound treatment 0.361 0.011 1.0 0.372 0.022 1.0 -1.0 -1.0 1973573 ChemDiv1_006927 COc1cc(/C=C/2\SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K20 compound treatment 0.381 0.031 1.0 0.391 0.041 1.0 -1.0 -1.0 1973574 ChemDiv1_006928 CC/1=NN(C(=O)\C1=C/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)c4ccc(C)c(Cl)c4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K21 compound treatment 0.34 -0.01 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1973575 ChemDiv1_006929 CCOC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)/SC2=S)sc4CCCCc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K22 compound treatment 0.357 0.007 1.0 0.364 0.014 1.0 -1.0 -1.0 1973576 ChemDiv1_006930 [O-][N+](=O)c1ccc2nc(NC(=O)CSc3nc(c(C#N)c(=O)[nH]3)c4ccccc4)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 K24 positive control 0.085 -0.265 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L01 compound treatment 0.377 0.027 1.0 0.383 0.033 1.0 -1.0 -1.0 1973577 ChemDiv1_006931 CC(Oc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cccc(Cl)c3)cc1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L02 compound treatment 0.369 0.019 1.0 0.38 0.03 1.0 -1.0 -1.0 1358742 ChemDiv1_006932 COc1ccc(OC)c(c1)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L03 compound treatment 0.351 0.001 1.0 0.366 0.016 1.0 -1.0 -1.0 1973578 ChemDiv1_006933 Brc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc4OCOc4c3)oc1N5CCOCC5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L04 compound treatment 0.379 0.029 1.0 0.381 0.031 1.0 -1.0 -1.0 1482046 ChemDiv1_006934 COc1ccccc1C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L05 compound treatment 0.466 0.116 1.0 0.455 0.105 1.0 -1.0 -1.0 1973579 ChemDiv1_006935 CCc1ccc(cc1)N2C(=O)/C(=C/c3cc(CC=C)c(OCC(=O)O)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L06 compound treatment 0.368 0.018 1.0 0.381 0.031 1.0 -1.0 -1.0 1852025 ChemDiv1_006936 CC1=C(C(C2=C(CCCC2=O)N1)c3ccc(cc3)[N+](=O)[O-])C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L07 compound treatment 0.369 0.019 1.0 0.374 0.024 1.0 -1.0 -1.0 1973580 ChemDiv1_006937 CCOc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C(=O)O)cc3)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L08 compound treatment 0.378 0.028 1.0 0.379 0.029 1.0 -1.0 -1.0 1852051 ChemDiv1_006938 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc(ccc3Cl)[N+](=O)[O-])C(=O)Nc4ccc(C)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L09 compound treatment 0.356 0.006 1.0 0.378 0.028 1.0 -1.0 -1.0 1973581 ChemDiv1_006939 COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc4OCOc4c3)cc(CC=C)c1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L10 compound treatment 0.419 0.069 1.0 0.45 0.1 1.0 -1.0 -1.0 1469193 ChemDiv1_006940 CCN(CC)c1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L11 compound treatment 0.379 0.029 1.0 0.382 0.032 1.0 -1.0 -1.0 1142911 ChemDiv1_006941 COc1ccc(cc1OC)C2CC(=O)C3=C(C2)Nc4ccccc4NC3c5ccc(OC(=O)C)cc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L12 compound treatment 0.377 0.027 1.0 0.389 0.039 1.0 -1.0 -1.0 1714276 ChemDiv1_006942 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)NC4=C3C(=O)CCC4)C(=O)Nc5ccccn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L13 compound treatment 0.381 0.031 1.0 0.381 0.031 1.0 -1.0 -1.0 1973582 ChemDiv1_006943 CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L14 compound treatment 0.399 0.049 1.0 0.378 0.028 1.0 -1.0 -1.0 1590399 ChemDiv1_006944 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L15 compound treatment 0.338 -0.012 -1.0 0.363 0.013 1.0 -1.0 -1.0 1973583 ChemDiv1_006945 CCOc1ccc(cc1)N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L16 compound treatment 0.381 0.031 1.0 0.396 0.046 1.0 -1.0 -1.0 1720467 ChemDiv1_006946 CCOc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4nc5ccc(Br)cc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L17 compound treatment 0.357 0.007 1.0 0.368 0.018 1.0 -1.0 -1.0 1973584 ChemDiv1_006947 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(ccc3N4CCOCC4)[N+](=O)[O-])c(=O)n2C1c5ccccc5OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L18 compound treatment 0.376 0.026 1.0 0.386 0.036 1.0 -1.0 -1.0 1672165 ChemDiv1_006948 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cccnc3)C(=O)Nc4nc5ccc(Br)cc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L19 compound treatment 0.34 -0.01 -1.0 0.365 0.015 1.0 -1.0 -1.0 1290421 ChemDiv1_006949 Cc1nn(C(=O)CCN2C(=O)c3ccccc3C2=O)c(C)c1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L20 compound treatment 0.377 0.027 1.0 0.379 0.029 1.0 -1.0 -1.0 1154110 ChemDiv1_006950 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccsc3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L21 compound treatment 0.344 -0.006 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1587713 ChemDiv1_006951 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4CCCc4cc3C#N)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L22 compound treatment 0.371 0.021 1.0 0.375 0.025 1.0 -1.0 -1.0 1973585 ChemDiv1_006952 COC(=O)C1=C(N)OC2=C(C1c3cccc(OC)c3OC)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 L24 positive control 0.085 -0.265 -1.0 0.086 -0.264 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M01 compound treatment 0.362 0.012 1.0 0.368 0.018 1.0 -1.0 -1.0 1973586 ChemDiv1_006953 CCCCNS(=O)(=O)c1cccc2nonc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M02 compound treatment 0.371 0.021 1.0 0.382 0.032 1.0 -1.0 -1.0 1973587 ChemDiv1_006954 CCOc1ccc(cc1)N2C(=O)/C(=C/c3ccc(o3)N4CCCCC4)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M03 compound treatment 0.362 0.012 1.0 0.371 0.021 1.0 -1.0 -1.0 1973588 ChemDiv1_006955 CCN(CC)c1cc(Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M04 compound treatment 0.396 0.046 1.0 0.401 0.051 1.0 -1.0 -1.0 1973589 ChemDiv1_006956 CCOC(=O)c1ccc(cc1)n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M05 compound treatment 0.34 -0.01 -1.0 0.355 0.005 1.0 -1.0 -1.0 1973590 ChemDiv1_006957 [O-][N+](=O)c1c(Nc2ccc(Br)cc2)cc(N3CCCCCC3)c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M06 compound treatment 0.411 0.061 1.0 0.491 0.141 1.0 -1.0 -1.0 1973591 ChemDiv1_006958 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M07 compound treatment 0.364 0.014 1.0 0.367 0.017 1.0 -1.0 -1.0 1973592 ChemDiv1_006959 CN(C)c1cc(Nc2ccc(SC#N)cc2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M08 compound treatment 0.359 0.009 1.0 0.373 0.023 1.0 -1.0 -1.0 1973593 ChemDiv1_006960 COc1ccc(cc1)C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M09 compound treatment 0.461 0.111 1.0 0.476 0.126 1.0 -1.0 -1.0 1973594 ChemDiv1_006961 CCNc1cc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M10 compound treatment 0.379 0.029 1.0 0.452 0.102 1.0 -1.0 -1.0 1973595 ChemDiv1_006962 COc1cc(/C=C/2\SC(=N)NC2=O)ccc1OC(=O)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M11 compound treatment 0.381 0.031 1.0 0.387 0.037 1.0 -1.0 -1.0 1973596 ChemDiv1_006963 COc1ccccc1Nc2cc(N3CCCCC3)c4nonc4c2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M12 compound treatment 0.351 0.001 1.0 0.353 0.003 1.0 -1.0 -1.0 1973597 ChemDiv1_006964 CCOC(=O)C(C)Sc1nc(N2CCOCC2)c3CCCCc3c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M13 compound treatment 0.393 0.043 1.0 0.401 0.051 1.0 -1.0 -1.0 1973598 ChemDiv1_006965 CCN(c1ccccc1)c2cc(N3CCOCC3)c4nonc4c2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M14 compound treatment 0.364 0.014 1.0 0.386 0.036 1.0 -1.0 -1.0 1973599 ChemDiv1_006966 COC(=O)c1cccc(c1C)n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M15 compound treatment 0.354 0.004 1.0 0.364 0.014 1.0 -1.0 -1.0 1973600 ChemDiv1_006967 CCOc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3F)c4ccccc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M16 compound treatment 0.353 0.003 1.0 0.366 0.016 1.0 -1.0 -1.0 1973601 ChemDiv1_006968 CCOC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M17 compound treatment 0.39 0.04 1.0 0.398 0.048 1.0 -1.0 -1.0 1700475 ChemDiv1_006969 COc1ccccc1NC(=O)C2=C(C)NC3=C(C2c4cc(OC)c(OC)c(OC)c4)C(=O)CCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M18 compound treatment 0.341 -0.009 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1973602 ChemDiv1_006970 COC(=O)COc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cccc(Br)c3)cc1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M19 compound treatment 0.454 0.104 1.0 0.467 0.117 1.0 -1.0 -1.0 1973603 ChemDiv1_006971 COc1cc(/C=C/2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(=O)C)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M20 compound treatment 0.328 -0.022 -1.0 0.335 -0.015 -1.0 -1.0 -1.0 1973604 ChemDiv1_006972 COC(=O)c1cccc(c1)c2ccc(/C=C\3/C(=NN(C3=O)c4ccc(C)c(Cl)c4)C)o2 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M21 compound treatment 0.394 0.044 1.0 0.403 0.053 1.0 -1.0 -1.0 1973605 ChemDiv1_006973 COc1cc(/C=C/2\SC(=S)N(CCC(=O)Nc3sc4CCCCc4c3C(=O)N)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M22 compound treatment 0.338 -0.012 -1.0 0.339 -0.011 -1.0 -1.0 -1.0 1973606 ChemDiv1_006974 CCCc1nnc(NC(=O)CSc2nc(c(C#N)c(=O)[nH]2)c3cccc(OC)c3)s1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 M24 positive control 0.086 -0.264 -1.0 0.088 -0.262 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N01 compound treatment 0.378 0.028 1.0 0.378 0.028 1.0 -1.0 -1.0 1973607 ChemDiv1_006975 OC(=O)COc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3)cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N02 compound treatment 0.41 0.06 1.0 0.417 0.067 1.0 -1.0 -1.0 1405780 ChemDiv1_006976 COc1ccc(OC)c(c1)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N03 compound treatment 0.499 0.149 1.0 0.496 0.146 1.0 -1.0 -1.0 1973608 ChemDiv1_006977 CCOc1cccc(c1)N2C(=O)/C(=C/c3cc(CC=C)c(O)c(OCC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N04 compound treatment 0.359 0.009 1.0 0.36 0.01 1.0 -1.0 -1.0 1726565 ChemDiv1_006978 COc1ccccc1C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N05 compound treatment 0.369 0.019 1.0 0.367 0.017 1.0 -1.0 -1.0 1973609 ChemDiv1_006979 CC(Oc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3cccc(Cl)c3)cc1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N06 compound treatment 0.392 0.042 1.0 0.391 0.041 1.0 -1.0 -1.0 1852032 ChemDiv1_006980 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc(cc3)[N+](=O)[O-])C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N07 compound treatment 0.482 0.132 1.0 0.441 0.091 1.0 -1.0 -1.0 1973610 ChemDiv1_006981 CCOc1ccc(cc1)N2C(=O)/C(=C/c3cc(CC=C)c(OCC(=O)O)c(OC)c3)/C(=O)NC2=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N08 compound treatment 0.368 0.018 1.0 0.379 0.029 1.0 -1.0 -1.0 1852052 ChemDiv1_006982 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cc(ccc3Cl)[N+](=O)[O-])C(=O)Nc4cc(C)ccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N09 compound treatment 0.337 -0.013 -1.0 0.346 -0.004 -1.0 -1.0 -1.0 1973611 ChemDiv1_006983 CC(Oc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc4OCOc4c3)cc1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N10 compound treatment 0.388 0.038 1.0 0.4 0.05 1.0 -1.0 -1.0 1584625 ChemDiv1_006984 COc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N11 compound treatment 0.366 0.016 1.0 0.365 0.015 1.0 -1.0 -1.0 1649216 ChemDiv1_006985 COc1cc(C2Nc3cc(C)c(C)cc3NC4=C2C(=O)CC(C)(C)C4)c(OC)cc1Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N12 compound treatment 0.452 0.102 1.0 0.446 0.096 1.0 -1.0 -1.0 1128379 ChemDiv1_006986 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)NC4=C3C(=O)CCC4)C(=O)Nc5ccc(Br)cn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N13 compound treatment 0.42 0.07 1.0 0.421 0.071 1.0 -1.0 -1.0 1973612 ChemDiv1_006987 CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(cc3)C(=O)C)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N14 compound treatment 0.41 0.06 1.0 0.405 0.055 1.0 -1.0 -1.0 1546442 ChemDiv1_006988 COc1cc(cc(OC)c1OC)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N15 compound treatment 0.359 0.009 1.0 0.365 0.015 1.0 -1.0 -1.0 1720250 ChemDiv1_006989 CS(=O)(=O)N(CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCOCC2)c3ccccc3Br 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N16 compound treatment 0.367 0.017 1.0 0.374 0.024 1.0 -1.0 -1.0 1426386 ChemDiv1_006990 CC1=C(C(C2=C(CCCC2=O)N1)c3cccc(Cl)c3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N17 compound treatment 0.356 0.006 1.0 0.364 0.014 1.0 -1.0 -1.0 1973613 ChemDiv1_006991 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(ccc3N4CCOCC4)[N+](=O)[O-])c(=O)n2C1c5ccccc5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N18 compound treatment 0.377 0.027 1.0 0.387 0.037 1.0 -1.0 -1.0 1309408 ChemDiv1_006992 CC1=C(C(C2=C(CCCC2=O)N1)c3cccc(Oc4ccccc4)c3)C(=O)Nc5ccc(Br)cn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N19 compound treatment 0.349 -0.001 -1.0 0.36 0.01 1.0 -1.0 -1.0 1623172 ChemDiv1_006993 Cc1ccc(COc2ccc(Br)cc2C=c3sc4nc5ccccc5n4c3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N20 compound treatment 0.38 0.03 1.0 0.391 0.041 1.0 -1.0 -1.0 1652312 ChemDiv1_006994 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccsc3)C(=O)Nc4cc(C)ccn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N21 compound treatment 0.355 0.005 1.0 0.363 0.013 1.0 -1.0 -1.0 1538252 ChemDiv1_006995 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4CCCCc4cc3C#N)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N22 compound treatment 0.352 0.002 1.0 0.364 0.014 1.0 -1.0 -1.0 1973614 ChemDiv1_006996 COc1ccc(OC)c(c1)C2C(=C(N)OC3=C2C(=O)CC(C3)c4ccccc4)C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 N24 positive control 0.086 -0.264 -1.0 0.089 -0.261 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O01 compound treatment 0.345 -0.005 -1.0 0.371 0.021 1.0 -1.0 -1.0 1973615 ChemDiv1_006997 CCCCN(CCCC)S(=O)(=O)c1cccc2nonc12 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O02 compound treatment 0.351 0.001 1.0 0.369 0.019 1.0 -1.0 -1.0 1973616 ChemDiv1_006998 Brc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccc(o3)N4CCCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O03 compound treatment 0.342 -0.008 -1.0 0.348 -0.002 -1.0 -1.0 -1.0 1973617 ChemDiv1_006999 CCN(CC)c1cc(Nc2ccccc2OC)c([N+](=O)[O-])c3nonc13 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O04 compound treatment 0.42 0.07 1.0 0.423 0.073 1.0 -1.0 -1.0 1973618 ChemDiv1_007000 CN1C(=O)C(=Cc2cc(C)n(c2C)c3ccc(C)c(c3)[N+](=O)[O-])C(=O)N(C)C1=S 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O05 compound treatment 0.35 0.0 -1.0 0.352 0.002 1.0 -1.0 -1.0 1973619 ChemDiv1_007001 Cc1ccc(Nc2cc(N3CCCCCC3)c4nonc4c2[N+](=O)[O-])cc1Cl 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O06 compound treatment 0.35 0.0 -1.0 0.361 0.011 1.0 -1.0 -1.0 1973620 ChemDiv1_007002 Clc1ccc(COc2ccc(Br)cc2C=C3C(=O)NC(=O)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O07 compound treatment 0.508 0.158 1.0 0.509 0.159 1.0 -1.0 -1.0 1973621 ChemDiv1_007003 CCN(c1ccccc1)c2cc(N(C)C)c3nonc3c2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O08 compound treatment 0.352 0.002 1.0 0.366 0.016 1.0 -1.0 -1.0 1973622 ChemDiv1_007004 COc1ccc(cc1)C(=O)Oc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O09 compound treatment 0.362 0.012 1.0 0.366 0.016 1.0 -1.0 -1.0 1973623 ChemDiv1_007005 CCOc1ccc(Nc2cc(N3CCCCC3)c4nonc4c2[N+](=O)[O-])cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O10 compound treatment 0.47 0.12 1.0 0.457 0.107 1.0 -1.0 -1.0 1973624 ChemDiv1_007006 CCOc1cc(/C=C/2\SC(=N)NC2=O)ccc1OC(=O)c3ccc(Cl)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O11 compound treatment 0.364 0.014 1.0 0.364 0.014 1.0 -1.0 -1.0 1973625 ChemDiv1_007007 [O-][N+](=O)c1c(Nc2ccc(Cl)cc2)cc(N3CCCCC3)c4nonc14 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O12 compound treatment 0.356 0.006 1.0 0.352 0.002 1.0 -1.0 -1.0 1973626 ChemDiv1_007008 CCCCCSc1nc(N2CCOCC2)c3COC(C)(C)Cc3c1C#N 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O13 compound treatment 0.399 0.049 1.0 0.419 0.069 1.0 -1.0 -1.0 1973627 ChemDiv1_007009 COc1ccccc1Nc2cc(N3CCOCC3)c4nonc4c2[N+](=O)[O-] 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O14 compound treatment 0.385 0.035 1.0 0.407 0.057 1.0 -1.0 -1.0 1973628 ChemDiv1_007010 CCOC(=O)c1cccc(c1)n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O15 compound treatment 0.342 -0.008 -1.0 0.357 0.007 1.0 -1.0 -1.0 1378791 ChemDiv1_007011 CCOC(=O)c1c(C)c(sc1NC(=O)c2cccc(Cl)c2)C(=O)Nc3ccccc3OCC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O16 compound treatment 0.36 0.01 1.0 0.354 0.004 1.0 -1.0 -1.0 1973629 ChemDiv1_007012 CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Br)cc3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O17 compound treatment 0.376 0.026 1.0 0.394 0.044 1.0 -1.0 -1.0 1973630 ChemDiv1_007013 CCOC(=O)C1=CN(C=C(C1c2cc(OC)c(OC)c(OC)c2)C(=O)OCC)c3ccc(OCC)cc3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O18 compound treatment 0.335 -0.015 -1.0 0.344 -0.006 -1.0 -1.0 -1.0 1973631 ChemDiv1_007014 CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cccc(Br)c3)ccc1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O19 compound treatment 0.611 0.261 1.0 0.621 0.271 1.0 -1.0 -1.0 1973632 ChemDiv1_007015 COc1cc(/C=C/2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(=O)O)C2=O)cc(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O20 compound treatment 0.364 0.014 1.0 0.373 0.023 1.0 -1.0 -1.0 1192194 ChemDiv1_007016 COc1ccc2nc(SCC(=O)O)[nH]c2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O21 compound treatment 0.386 0.036 1.0 0.392 0.042 1.0 -1.0 -1.0 1973633 ChemDiv1_007017 Cc1c(NC(=O)CCN2C(=O)/C(=C/c3cccs3)/SC2=S)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O22 compound treatment 0.747 0.397 1.0 0.745 0.395 1.0 -1.0 -1.0 1973634 ChemDiv1_007018 Cc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccccc3F)c(C)n1c4cc(cc(c4)C(=O)O)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 O24 positive control 0.09 -0.26 -1.0 0.091 -0.259 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P01 compound treatment 0.366 0.016 1.0 0.37 0.02 1.0 -1.0 -1.0 1973635 ChemDiv1_007019 CC(Oc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)c(C)c3)cc1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P02 compound treatment 0.408 0.058 1.0 0.414 0.064 1.0 -1.0 -1.0 1160446 ChemDiv1_007020 COc1ccc(OC)c(c1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P03 compound treatment 0.504 0.154 1.0 0.51 0.16 1.0 -1.0 -1.0 1973636 ChemDiv1_007021 Cc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(C)cc3)c(C)n1c4cc(cc(c4)C(=O)O)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P04 compound treatment 0.487 0.137 1.0 0.5 0.15 1.0 -1.0 -1.0 1388647 ChemDiv1_007022 CC1=C(C(C2=C(CCCC2=O)N1)c3cccc(Br)c3)C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P05 compound treatment 0.394 0.044 1.0 0.428 0.078 1.0 -1.0 -1.0 1973637 ChemDiv1_007023 COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3)cc(CC=C)c1OCC(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P06 compound treatment 0.427 0.077 1.0 0.416 0.066 1.0 -1.0 -1.0 1556239 ChemDiv1_007024 CC1=C(C(C2=C(CCCC2=O)N1)c3ccccc3Cl)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P07 compound treatment 0.428 0.078 1.0 0.422 0.072 1.0 -1.0 -1.0 1973638 ChemDiv1_007025 CC(Oc1ccc(/C=C/2\C(=O)NC(=S)N(C2=O)c3cccc(Br)c3)cc1)C(=O)O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P08 compound treatment 0.418 0.068 1.0 0.422 0.072 1.0 -1.0 -1.0 1696155 ChemDiv1_007026 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccccc3C)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P09 compound treatment 0.385 0.035 1.0 0.387 0.037 1.0 -1.0 -1.0 1973639 ChemDiv1_007027 Cc1cc(C)cc(c1)N2C(=O)NC(=O)/C(=C\c3cc(Br)c(o3)N4CCOCC4)/C2=O 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P10 compound treatment 0.546 0.196 1.0 0.558 0.208 1.0 -1.0 -1.0 1125797 ChemDiv1_007028 COc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CC(C)(C)C3)C(=O)Nc4nc5ccccc5s4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P11 compound treatment 0.368 0.018 1.0 0.383 0.033 1.0 -1.0 -1.0 1304688 ChemDiv1_007029 COc1cc(C2Nc3cc(C)c(C)cc3NC4=C2C(=O)CC(C)(C)C4)c(Br)c(OC)c1OC 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P12 compound treatment 0.463 0.113 1.0 0.471 0.121 1.0 -1.0 -1.0 1340949 ChemDiv1_007030 COc1cc(ccc1OCc2ccccc2)C3C(=C(C)NC4=C3C(=O)CCC4)C(=O)Nc5ccc(C)cn5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P13 compound treatment 0.419 0.069 1.0 0.402 0.052 1.0 -1.0 -1.0 1668988 ChemDiv1_007031 CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)OC)sc2c1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P14 compound treatment 0.391 0.041 1.0 0.403 0.053 1.0 -1.0 -1.0 1654466 ChemDiv1_007032 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc(Br)cc3)C(=O)Nc4cccc(C)n4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P15 compound treatment 0.388 0.038 1.0 0.381 0.031 1.0 -1.0 -1.0 1973640 ChemDiv1_007033 Cc1c(NC(=O)CN(c2ccc(Cl)c(c2)C(F)(F)F)S(=O)(=O)c3ccccc3)c(=O)n(c4ccccc4)n1C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P16 compound treatment 0.408 0.058 1.0 0.406 0.056 1.0 -1.0 -1.0 1713669 ChemDiv1_007034 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3cccc(Cl)c3)C(=O)Nc4ccc(Br)cn4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P17 compound treatment 0.349 -0.001 -1.0 0.366 0.016 1.0 -1.0 -1.0 1973641 ChemDiv1_007035 CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(ccc3N4CCOCC4)[N+](=O)[O-])c(=O)n2C1c5ccc(cc5)N(C)C 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P18 compound treatment 0.429 0.079 1.0 0.442 0.092 1.0 -1.0 -1.0 1614227 ChemDiv1_007036 CC1=C(C(C2=C(CCCC2=O)N1)c3cccc(Oc4ccccc4)c3)C(=O)Nc5cccc(C)n5 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P19 compound treatment 0.359 0.009 1.0 0.369 0.019 1.0 -1.0 -1.0 1973642 ChemDiv1_007037 Cc1ccc(COc2ccc(Br)cc2C=C3C(=O)NC(=S)NC3=O)cc1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P20 compound treatment 0.362 0.012 1.0 0.374 0.024 1.0 -1.0 -1.0 1973643 ChemDiv1_007038 Cc1ccc(cc1)C(=O)C2=C(N)OC3=C(C2c4ccccc4Cl)C(=O)CCC3 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P21 compound treatment 0.373 0.023 1.0 0.367 0.017 1.0 -1.0 -1.0 1349846 ChemDiv1_007039 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4CCCCCc4cc3C#N)cc2)n1 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P22 compound treatment 0.367 0.017 1.0 0.354 0.004 1.0 -1.0 -1.0 1973644 ChemDiv1_007040 CCOC(=O)C1=C(N)OC2=C(C1c3cc(OC)ccc3OC)C(=O)CC(C2)c4ccccc4 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P23 mock treatment 0.35 0.0 -1.0 0.35 0.0 -1.0 -1.0 -1.0 1017.0020 EnzCoupledColor(1017.0020) TrypanothioneReductase 1017.0020.606 P24 positive control 0.093 -0.257 -1.0 0.092 -0.258 -1.0 -1.0 -1.0