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 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A01 compound treatment 1.011 0.00295 0.09 1.012 0.00391 0.12 0.1421 0.9888 1463 SMP1_000001 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A02 compound treatment 0.971 -0.0371 -1.07 0.979 -0.0291 -0.86 -1.3669 -0.994 3414725 SMP1_000002 NC(C1CC(=NO1)Cl)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A03 compound treatment 0.986 -0.0221 -0.64 0.987 -0.0211 -0.62 -0.8925 -0.9999 3414698 SMP1_000003 CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A04 compound treatment 0.983 -0.0251 -0.73 0.983 -0.0251 -0.74 -1.0375 -0.9999 3198847 SMP1_000004 CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4[C@@H]1[C@@]3(C5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)C5[C@]4(OC(=O)C)[C@@H](O)C6OC)C(C[C@H]2O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A05 compound treatment 0.99 -0.0181 -0.52 0.987 -0.0211 -0.62 -0.8106 -0.9962 329 SMP1_000005 CC(C)C1NC(=O)C(NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4nc23)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A06 compound treatment 0.972 -0.0361 -1.04 0.983 -0.0251 -0.74 -1.2628 -0.986 3414705 SMP1_000006 CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A07 compound treatment 0.972 -0.0361 -1.04 0.965 -0.0431 -1.27 -1.6391 -0.9951 839 SMP1_000007 Nc1nc2n(COCCO)cnc2c(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A08 compound treatment 1.007 -0.00105 -0.03 0.993 -0.0151 -0.45 -0.337 -0.7537 1000141 SMP1_000008 OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A09 compound treatment 0.99 -0.0181 -0.52 0.987 -0.0211 -0.62 -0.8106 -0.9962 756 SMP1_000009 CCCCCCc1ccc(O)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A10 compound treatment 0.981 -0.0271 -0.78 0.981 -0.0271 -0.8 -1.1203 -0.9999 907119 SMP1_000010 CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A11 compound treatment 0.992 -0.0161 -0.46 0.994 -0.0141 -0.42 -0.6233 -0.9985 3074205 SMP1_000011 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A12 compound treatment 0.997 -0.0111 -0.32 0.994 -0.0141 -0.42 -0.5209 -0.9915 1606 SMP1_000012 NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A13 compound treatment 0.987 -0.0211 -0.61 0.976 -0.0321 -0.95 -1.102 -0.9771 209 SMP1_000013 CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4cc(O)ccc34)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(=O)N)C(=O)N5CC(O)CC5C(=O)NC(C(C)C(O)CO)C(=O)N2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A14 compound treatment 0.981 -0.0271 -0.78 0.98 -0.0281 -0.83 -1.1412 -0.9996 1000229 SMP1_000014 Nc1c(Br)cc(Br)cc1CN[C@H]2CC[C@H](O)CC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A15 compound treatment 0.986 -0.0221 -0.64 0.983 -0.0251 -0.74 -0.9761 -0.9972 3198849 SMP1_000015 NCCC(O)C(=O)N[C@@H]1C[C@H](N)C(O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A16 compound treatment 0.996 -0.0121 -0.35 0.999 -0.00909 -0.27 -0.4368 -0.9916 3074259 SMP1_000016 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A17 compound treatment 0.992 -0.0161 -0.46 0.992 -0.0161 -0.48 -0.6651 -0.9999 1469 SMP1_000017 CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A18 compound treatment 0.987 -0.0211 -0.61 0.987 -0.0211 -0.62 -0.872 -0.9999 3074401 SMP1_000018 CN(C)CCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H](O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A19 compound treatment 1.004 -0.00405 -0.12 0.995 -0.0131 -0.39 -0.3566 -0.8819 880 SMP1_000019 CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A20 compound treatment 1.013 0.00495 0.14 1.023 0.0149 0.44 0.4131 0.891 2141034 SMP1_000020 NC(CCCNN=CN[C@@H](CC(=O)O)C(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A21 compound treatment 1.002 -0.00605 -0.18 1.001 -0.00709 -0.21 -0.2721 -0.9961 3074462 SMP1_000021 NCC(O)c1ccc(O)c(O)c1.OC(C(O)C(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A22 mock treatment 0.999 -0.00905 -0.26 1.008 -8.77E-5 0.0 -0.1872 -0.7141 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A23 mock treatment 0.999 -0.00905 -0.26 0.999 -0.00909 -0.27 -0.3754 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 A24 mock treatment 0.998 -0.0101 -0.29 1.002 -0.00609 -0.18 -0.3331 -0.9733 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B01 compound treatment 0.975 -0.0331 -0.96 0.977 -0.0311 -0.92 -1.3268 -0.9998 3198851 SMP1_000022 OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B02 compound treatment 1.0 -0.00805 -0.23 0.991 -0.0171 -0.51 -0.5221 -0.9384 2117676 SMP1_000023 COc1ccc(C[C@@H]2NC[C@@H](O)[C@@H]2OC(=O)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B03 compound treatment 0.991 -0.0171 -0.49 0.984 -0.0241 -0.71 -0.8528 -0.984 2141035 SMP1_000024 Cn1cncc1CC(NC(=O)CCN)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B04 compound treatment 0.995 -0.0131 -0.38 0.991 -0.0171 -0.51 -0.6245 -0.9898 154 SMP1_000025 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]3C[C@@H]4C[C@@]32CC[C@]4(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B05 compound treatment 0.972 -0.0361 -1.04 0.969 -0.0391 -1.16 -1.5555 -0.9987 2141036 SMP1_000026 CCC/C=C/C=C/C(=O)O[C@H]1\C(=C\C(=O)OC)\C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B06 compound treatment 0.976 -0.0321 -0.93 0.966 -0.0421 -1.24 -1.5363 -0.9896 899 SMP1_000027 CN1CCc2cccc-3c2[C@H]1Cc4ccc(O)c(O)c43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B07 compound treatment 0.984 -0.0241 -0.7 0.988 -0.0201 -0.59 -0.9125 -0.9969 3174242 SMP1_000028 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B08 compound treatment 0.988 -0.0201 -0.58 0.979 -0.0291 -0.86 -1.0188 -0.9817 3198852 SMP1_000029 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2ccc(=O)[nH]c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B09 compound treatment 0.987 -0.0211 -0.61 0.97 -0.0381 -1.13 -1.2274 -0.9585 2060 SMP1_000030 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B10 compound treatment 1.006 -0.00205 -0.06 0.995 -0.0131 -0.39 -0.3157 -0.8063 1000124 SMP1_000031 CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B11 compound treatment 0.993 -0.0151 -0.44 0.993 -0.0151 -0.45 -0.6237 -0.9999 3074586 SMP1_000032 C[C@H]1[C@H]2[C@H](OC1=O)C3C(=CC(=O)C3=C(C)C[C@@H]2O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B12 compound treatment 0.974 -0.0341 -0.99 0.976 -0.0321 -0.95 -1.3682 -0.9998 3198853 SMP1_000033 COC(=O)[C@@]1(C)OC[C@]2([C@H]3[C@H]4OC[C@@]3([C@@H](C[C@@H]2OC(=O)/C(=C\C)/C)OC(=O)C)C(=O)OC)[C@@H]1[C@@](C)([C@@H]4O)[C@@]56OC6(C)C7C[C@H]5OC8OC=CC78O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B13 compound treatment 0.983 -0.0251 -0.73 0.984 -0.0241 -0.71 -1.0166 -1.0 3198854 SMP1_000034 CC(=O)OC1C2=C(C)C(O)C3(C)CC4(O)C(OC(=O)c5ccccc5)C6C7(COC7C8(C)CC(O)C(C)(C1=O)C68C234)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B14 compound treatment 0.978 -0.0301 -0.87 0.978 -0.0301 -0.89 -1.2445 -0.9999 3198855 SMP1_000035 CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)C[C@H]2CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B15 compound treatment 0.977 -0.0311 -0.9 0.979 -0.0291 -0.86 -1.244 -0.9998 678 SMP1_000036 NCC(CC(=O)O)c1ccc(Cl)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B16 compound treatment 0.987 -0.0211 -0.61 0.98 -0.0281 -0.83 -1.0183 -0.9885 1950 SMP1_000037 Oc1cc2oc(cc(=O)c2c(O)c1O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B17 compound treatment 0.996 -0.0121 -0.35 0.996 -0.0121 -0.36 -0.4995 -0.9999 3074655 SMP1_000038 COC1C=CC=C(C)CC(C)C(O)C(C)C=C(C)C=C(OC)C(=O)OC1[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@H](O2)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B18 compound treatment 0.982 -0.0261 -0.75 0.976 -0.0321 -0.95 -1.2044 -0.9936 3074707 SMP1_000039 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B19 compound treatment 0.997 -0.0111 -0.32 0.996 -0.0121 -0.36 -0.4791 -0.9985 900 SMP1_000040 CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B20 compound treatment 1.002 -0.00605 -0.18 1.005 -0.00309 -0.09 -0.1885 -0.9538 3471542 SMP1_000041 CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(Cc2cnc(C)nc2N)C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B21 compound treatment 0.993 -0.0151 -0.44 1.001 -0.00709 -0.21 -0.4564 -0.9437 952 SMP1_000042 CC(C)(S)[C@@H](N)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B22 mock treatment 1.005 -0.00305 -0.09 1.002 -0.00609 -0.18 -0.1898 -0.9464 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B23 mock treatment 1.004 -0.00405 -0.12 1.012 0.00391 0.12 -0.0012 -0.0073 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 B24 mock treatment 1.016 0.00795 0.23 1.016 0.00791 0.23 0.3282 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C01 compound treatment 1.016 0.00795 0.23 1.012 0.00391 0.12 0.2445 0.9493 3068885 SMP1_000043 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C02 compound treatment 1.014 0.00595 0.17 1.01 0.00191 0.06 0.1618 0.8924 2110 SMP1_000044 C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](O)C(=C[C@@]14C3=O)C)C2(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C03 compound treatment 1.01 0.00195 0.06 1.011 0.00291 0.09 0.1008 0.979 1602 SMP1_000045 COc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C04 compound treatment 1.022 0.0139 0.4 1.019 0.0109 0.32 0.5138 0.9938 1000140 SMP1_000046 CC[C@@H]1OC(OC(C(NC(=O)c2nc(nc(N)c2C)C(CC(=O)N)NCC(N)C(=O)N)C(=O)NC(C)C(O)C(C)C(=O)NC(C(C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCCNC(=N)N)c5c[nH]cn5)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]6O)[C@@H](C)[C@@H]1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C05 compound treatment 1.005 -0.00305 -0.09 0.997 -0.0111 -0.33 -0.2943 -0.8668 1737132 SMP1_000047 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C06 compound treatment 0.997 -0.0111 -0.32 0.997 -0.0111 -0.33 -0.4581 -0.9999 3176860 SMP1_000048 C[C@H]1CCC/C=C/C2C[C@H](O)C[C@@]2(O)C/C=C/C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C07 compound treatment 1.011 0.00295 0.09 1.013 0.00491 0.15 0.1631 0.9679 404 SMP1_000049 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C08 compound treatment 1.009 9.47E-4 0.03 1.008 -8.77E-5 0.0 0.0176 0.6374 2069232 SMP1_000050 NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C09 compound treatment 1.008 -5.26E-5 0.0 1.008 -8.77E-5 0.0 -0.0029 -0.9679 1055735 SMP1_000051 OC(=O)c1cc2ccccc2c(N=Nc3c(O)cc(c4ccccc34)S(=O)(=O)O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C10 compound treatment 0.997 -0.0111 -0.32 0.995 -0.0131 -0.39 -0.5 -0.9956 3198857 SMP1_000052 CC(O)C1(C)CCC(O1)C2(C)CCC(CC(O)C(C)C(O)C(C)/C=C/CC(C)CC(C)C(=O)CC(=O)C(C)CC(C)CC(C)CCC(=O)O)O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C11 compound treatment 1.015 0.00695 0.2 1.15 0.142 4.2 3.1092 0.7402 3198858 SMP1_000053 COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(C=CC[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=C(C)C(=CC=CC(=CC#N)C)C)OC)[C@H](OP(=O)(O)O)C3(C)C)co1)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C12 compound treatment 1.014 0.00595 0.17 1.014 0.00591 0.17 0.2454 1.0 1014 SMP1_000054 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C13 compound treatment 1.02 0.0119 0.35 1.016 0.00791 0.23 0.4101 0.9818 2431 SMP1_000055 CCN(CC)CCNC(=O)c1ccc(N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C14 compound treatment 0.995 -0.0131 -0.38 0.996 -0.0121 -0.36 -0.52 -0.9996 861 SMP1_000056 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C15 compound treatment 1.017 0.00895 0.26 1.01 0.00191 0.06 0.2232 0.8416 1000171 SMP1_000057 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C16 compound treatment 0.986 -0.0221 -0.64 0.984 -0.0241 -0.71 -0.9552 -0.9985 3198859 SMP1_000058 Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C17 compound treatment 0.995 -0.0131 -0.38 0.985 -0.0231 -0.68 -0.75 -0.9611 379 SMP1_000059 O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C18 compound treatment 1.004 -0.00405 -0.12 0.997 -0.0111 -0.33 -0.3148 -0.9041 1733214 SMP1_000060 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C19 compound treatment 1.025 0.0169 0.49 1.015 0.00691 0.2 0.4916 0.9246 3187753 SMP1_000061 C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C20 compound treatment 1.02 0.0119 0.35 1.017 0.00891 0.26 0.431 0.991 994 SMP1_000062 N[C@@H](CCONC(=N)N)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C21 compound treatment 1.022 0.0139 0.4 1.015 0.00691 0.2 0.4301 0.9502 349 SMP1_000063 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C22 mock treatment 1.033 0.0249 0.72 1.032 0.0239 0.71 1.0108 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C23 mock treatment 1.017 0.00895 0.26 1.015 0.00691 0.2 0.3277 0.9931 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 C24 mock treatment 1.019 0.0109 0.32 1.018 0.00991 0.29 0.4314 0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D01 compound treatment 1.001 -0.00705 -0.2 0.997 -0.0111 -0.33 -0.3762 -0.9741 1000071 SMP1_000064 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D02 compound treatment 1.011 0.00295 0.09 1.007 -0.00109 -0.03 0.0376 0.4124 1160 SMP1_000065 OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D03 compound treatment 1.004 -0.00405 -0.12 1.007 -0.00109 -0.03 -0.1057 -0.8688 3074003 SMP1_000066 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D04 compound treatment 1.003 -0.00505 -0.15 0.998 -0.0101 -0.3 -0.3144 -0.9463 3198950 SMP1_000067 CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D05 compound treatment 1.002 -0.00605 -0.18 0.999 -0.00909 -0.27 -0.3139 -0.9786 2838 SMP1_000068 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)CCC3=C)/CCC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D06 compound treatment 1.01 0.00195 0.06 1.01 0.00191 0.06 0.0799 1.0 3198951 SMP1_000069 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D07 compound treatment 1.01 0.00195 0.06 1.005 -0.00309 -0.09 -0.0247 -0.2299 1225 SMP1_000070 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D08 compound treatment 1.005 -0.00305 -0.09 1.0 -0.00809 -0.24 -0.2316 -0.9084 1268 SMP1_000071 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D09 compound treatment 1.005 -0.00305 -0.09 1.003 -0.00509 -0.15 -0.1689 -0.9679 1010377 SMP1_000072 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D10 compound treatment 1.004 -0.00405 -0.12 0.996 -0.0121 -0.36 -0.3357 -0.8924 1999 SMP1_000073 Oc1c(I)cc(Cl)c2cccnc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D11 compound treatment 1.005 -0.00305 -0.09 1.0 -0.00809 -0.24 -0.2316 -0.9084 359 SMP1_000074 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D12 compound treatment 1.0 -0.00805 -0.23 0.993 -0.0151 -0.45 -0.4803 -0.9542 2141037 SMP1_000075 O[C@H](COc1cccc(Cl)c1)/C=C/[C@@H]2[C@@H](O)C[C@@H](O)[C@H]2C/C=C\CCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D13 compound treatment 1.013 0.00495 0.14 1.004 -0.00409 -0.12 0.0159 0.0846 1001919 SMP1_000076 CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c3ccc(OC)c(=O)cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D14 compound treatment 1.019 0.0109 0.32 1.012 0.00391 0.12 0.306 0.9066 3177244 SMP1_000077 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D15 compound treatment 0.999 -0.00905 -0.26 0.999 -0.00909 -0.27 -0.3754 -0.9999 3198953 SMP1_000078 C[C@@H]1O[C@@H](OC2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CCC5(O)[C@@H]4CCC3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D16 compound treatment 1.012 0.00395 0.11 0.998 -0.0101 -0.3 -0.1301 -0.4072 3054850 SMP1_000079 C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D17 compound treatment 1.021 0.0129 0.37 1.016 0.00791 0.23 0.4306 0.9742 450 SMP1_000080 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D18 compound treatment 1.012 0.00395 0.11 1.003 -0.00509 -0.15 -0.0255 -0.1351 2141038 SMP1_000081 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)C23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D19 compound treatment 1.032 0.0239 0.69 1.022 0.0139 0.41 0.7813 0.9689 2081006 SMP1_000082 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D20 compound treatment 1.032 0.0239 0.69 1.026 0.0179 0.53 0.8649 0.9911 3074156 SMP1_000083 CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c3ccc(O)cc3)C2=O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D21 compound treatment 1.016 0.00795 0.23 1.018 0.00991 0.29 0.37 0.9928 3382 SMP1_000084 Cc1c(CCO)sc[n+]1Cc2cnc(C)nc2N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D22 mock treatment 1.01 0.00195 0.06 1.012 0.00391 0.12 0.1217 0.9455 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D23 mock treatment 1.029 0.0209 0.61 1.032 0.0239 0.71 0.9289 0.9971 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 D24 mock treatment 1.028 0.0199 0.58 1.023 0.0149 0.44 0.7203 0.9911 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E01 compound treatment 1.02 0.0119 0.35 1.021 0.0129 0.38 0.5146 0.9988 3198954 SMP1_000085 CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E02 compound treatment 1.019 0.0109 0.32 1.017 0.00891 0.26 0.4105 0.9958 2141039 SMP1_000086 CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E03 compound treatment 1.018 0.00995 0.29 1.016 0.00791 0.23 0.3691 0.9947 3198955 SMP1_000087 CC1C2C(Cc3ccccc3)NC(=O)C42OC(=O)C=CC(=O)CCCC(C)CC=CC4C(O)C1=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E04 compound treatment 1.002 -0.00605 -0.18 1.005 -0.00309 -0.09 -0.1885 -0.9538 3414684 SMP1_000088 CC1C2C(Cc3ccccc3)NC(=O)C42OC(=O)C=CC(O)CCCC(C)CC=CC4C(O)C1=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E05 compound treatment 1.021 0.0129 0.37 1.013 0.00491 0.15 0.3678 0.9148 592 SMP1_000089 Oc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E06 compound treatment 1.012 0.00395 0.11 1.016 0.00791 0.23 0.2463 0.9458 3198956 SMP1_000090 CC1(C)CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@H](O)[C@@]3(C)O[C@](C)(CC(=O)C32)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E07 compound treatment 1.019 0.0109 0.32 1.021 0.0129 0.38 0.4941 0.9957 1451 SMP1_000091 CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E08 compound treatment 1.023 0.0149 0.43 1.019 0.0109 0.32 0.5342 0.9895 2081077 SMP1_000092 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E09 compound treatment 1.005 -0.00305 -0.09 1.005 -0.00309 -0.09 -0.1271 -0.9999 832268 SMP1_000093 NC(=N)c1ccc(cc1)c2cc3ccc(cc3[nH]2)C(=N)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E10 compound treatment 1.016 0.00795 0.23 1.013 0.00491 0.15 0.2654 0.9754 2080198 SMP1_000094 CC(=O)C1=C(O)C2C3C(Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E11 compound treatment 0.999 -0.00905 -0.26 0.996 -0.0121 -0.36 -0.4381 -0.9884 2141040 SMP1_000095 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3cc(Cl)c(Cl)cc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E12 compound treatment 1.012 0.00395 0.11 1.014 0.00591 0.17 0.2044 0.9788 3074726 SMP1_000096 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E13 compound treatment 1.01 0.00195 0.06 1.007 -0.00109 -0.03 0.0171 0.264 3198957 SMP1_000097 C[C@H]1OC(C[C@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)OC(C[C@@H]2O)O[C@@H]3[C@@H](C)OC(C[C@@H]3O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E14 compound treatment 1.01 0.00195 0.06 1.005 -0.00309 -0.09 -0.0247 -0.2299 2080186 SMP1_000098 CC=CCC=CCCC(=O)C1OC1C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E15 compound treatment 1.005 -0.00305 -0.09 0.996 -0.0121 -0.36 -0.3152 -0.8562 3074733 SMP1_000099 Nc1nc(=O)c2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E16 compound treatment 1.016 0.00795 0.23 1.02 0.0119 0.35 0.4118 0.9787 3472295 SMP1_000100 COc1c(O)cc2C(=O)OC3C(O)C(O)C(CO)OC3c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E17 compound treatment 1.018 0.00995 0.29 1.014 0.00591 0.17 0.3273 0.9713 2141041 SMP1_000101 CCCCCCCCCCCCC/C=C/C(O)C(N)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E18 compound treatment 1.013 0.00495 0.14 1.01 0.00191 0.06 0.1413 0.9173 3074792 SMP1_000102 CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@H]2C(=CC=C3C[C@H](O)CC[C@@H]3C)CCC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E19 compound treatment 1.035 0.0269 0.78 1.018 0.00991 0.29 0.7591 0.9106 2141042 SMP1_000103 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E20 compound treatment 1.025 0.0169 0.49 1.021 0.0129 0.38 0.617 0.9923 3198959 SMP1_000104 CO/N=C(/C(=O)N[C@H]1C2SCC(=C(N2C1=O)C(=O)O)CSc3nc(=O)c(O)nn3C)\c4csc(N)n4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E21 compound treatment 1.027 0.0189 0.55 1.01 0.00191 0.06 0.428 0.7759 3198960 SMP1_000105 CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E22 mock treatment 1.017 0.00895 0.26 1.013 0.00491 0.15 0.2859 0.9626 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E23 mock treatment 1.043 0.0349 1.01 1.028 0.0199 0.59 1.132 0.9668 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 E24 mock treatment 1.015 0.00695 0.2 1.019 0.0109 0.32 0.3704 0.9742 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F01 compound treatment 1.007 -0.00105 -0.03 1.011 0.00291 0.09 0.0393 0.4306 1000279 SMP1_000106 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F02 compound treatment 1.017 0.00895 0.26 1.013 0.00491 0.15 0.2859 0.9626 980 SMP1_000107 C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F03 compound treatment 1.011 0.00295 0.09 1.009 9.12E-4 0.03 0.0794 0.8873 697 SMP1_000108 Cn1c(=O)n(C)c2ncn(CC(O)CO)c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F04 compound treatment 1.01 0.00195 0.06 1.005 -0.00309 -0.09 -0.0247 -0.2299 1001936 SMP1_000109 C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F05 compound treatment 0.996 -0.0121 -0.35 0.993 -0.0151 -0.45 -0.5622 -0.9926 3074864 SMP1_000110 CC(C)[C@@]12O[C@H]2[C@@H]3O[C@]34[C@]5(O[C@H]5CC6C7=C(CC[C@@]64C)C(=O)OC7)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F06 compound treatment 1.006 -0.00205 -0.06 1.006 -0.00209 -0.06 -0.0857 -0.9998 598 SMP1_000111 Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F07 compound treatment 1.014 0.00595 0.17 1.013 0.00491 0.15 0.2245 0.9964 3198961 SMP1_000112 CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F08 compound treatment 1.007 -0.00105 -0.03 1.001 -0.00709 -0.21 -0.1697 -0.8015 1048 SMP1_000113 CCn1cc(C(=O)O)c(=O)c2cc(F)c(nc12)N3CCNCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F09 compound treatment 1.019 0.0109 0.32 1.009 9.12E-4 0.03 0.2433 0.7645 907310 SMP1_000114 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F10 compound treatment 1.016 0.00795 0.23 1.01 0.00191 0.06 0.2027 0.8554 1001923 SMP1_000115 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F11 compound treatment 1.014 0.00595 0.17 1.013 0.00491 0.15 0.2245 0.9964 2141043 SMP1_000116 NC(=C(C#N)C#N)C(=Cc1ccc2[nH]ccc2c1)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F12 compound treatment 0.988 -0.0201 -0.58 0.991 -0.0171 -0.51 -0.7679 -0.9976 3074929 SMP1_000117 CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CCC2C(=CC=C3C[C@@H](O)CCC3=C)CCC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F13 compound treatment 1.02 0.0119 0.35 1.011 0.00291 0.09 0.3055 0.8569 2965 SMP1_000118 C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F14 compound treatment 1.012 0.00395 0.11 1.013 0.00491 0.15 0.1835 0.993 935 SMP1_000119 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F15 compound treatment 1.01 0.00195 0.06 1.012 0.00391 0.12 0.1217 0.9455 1532 SMP1_000120 OC[C@H]1O[C@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F16 compound treatment 0.998 -0.0101 -0.29 0.998 -0.0101 -0.3 -0.4168 -0.9999 386 SMP1_000121 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CC[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F17 compound treatment 1.012 0.00395 0.11 1.007 -0.00109 -0.03 0.0581 0.4892 3188281 SMP1_000122 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2C[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F18 compound treatment 0.984 -0.0241 -0.7 0.979 -0.0291 -0.86 -1.1007 -0.9945 3060043 SMP1_000123 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F19 compound treatment 1.024 0.0159 0.46 1.021 0.0129 0.38 0.5965 0.9955 3073959 SMP1_000124 COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(O[C@H]4O[C@@H]5COC(C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F20 compound treatment 1.025 0.0169 0.49 1.014 0.00591 0.17 0.4707 0.9034 757 SMP1_000125 OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F21 compound treatment 1.015 0.00695 0.2 1.01 0.00191 0.06 0.1822 0.872 3198963 SMP1_000126 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]61CC[C@H](C)CN6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F22 mock treatment 1.021 0.0129 0.37 1.013 0.00491 0.15 0.3678 0.9148 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F23 mock treatment 1.027 0.0189 0.55 1.023 0.0149 0.44 0.6998 0.9941 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 F24 mock treatment 1.031 0.0229 0.66 1.032 0.0239 0.71 0.9698 0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G01 compound treatment 1.016 0.00795 0.23 1.008 -8.77E-5 0.0 0.1609 0.6991 3187752 SMP1_000127 C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G02 compound treatment 0.997 -0.0111 -0.32 0.996 -0.0121 -0.36 -0.4791 -0.9985 424 SMP1_000128 CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G03 compound treatment 1.004 -0.00405 -0.12 0.996 -0.0121 -0.36 -0.3357 -0.8924 1188 SMP1_000129 NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G04 compound treatment 1.002 -0.00605 -0.18 0.999 -0.00909 -0.27 -0.3139 -0.9786 3198964 SMP1_000130 C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@H]3[C@H]2[C@@H](O)CC4/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C[C@@]43C)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G05 compound treatment 1.007 -0.00105 -0.03 1.005 -0.00309 -0.09 -0.0861 -0.8947 1202 SMP1_000131 COc1ccc2CN(C)CC[C@]34C=C[C@H](O)C[C@@H]4Oc1c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G06 compound treatment 1.01 0.00195 0.06 1.009 9.12E-4 0.03 0.059 0.943 3419531 SMP1_000132 COC1CC(C)CC2=C(OC)C(=O)C=C(NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C1O)C)C)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G07 compound treatment 1.003 -0.00505 -0.15 1.004 -0.00409 -0.12 -0.1889 -0.9955 425 SMP1_000133 Oc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G08 compound treatment 1.012 0.00395 0.11 1.008 -8.77E-5 0.0 0.079 0.6909 1028 SMP1_000134 Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G09 compound treatment 0.994 -0.0141 -0.41 0.992 -0.0161 -0.48 -0.6241 -0.997 962 SMP1_000135 CCC1(C(=O)NCNC1=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G10 compound treatment 0.996 -0.0121 -0.35 0.995 -0.0131 -0.39 -0.5204 -0.9987 2060138 SMP1_000136 C[C@]1([C@H]2[C@H](C(=O)O)[C@]3(CC(=C)[C@@]4(O)C3)[C@@H](CC4)[C@]52OC1=O)[C@@H](O)C=C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G11 compound treatment 0.987 -0.0211 -0.61 0.988 -0.0201 -0.59 -0.8511 -0.9999 2141044 SMP1_000137 C[C@@H]1C(=O)OC2[C@@H](O)[C@]34[C@H]5C[C@@H](C(C)(C)C)C46[C@@H](O)C(=O)OC6O[C@@]3(C(=O)O5)[C@@]12O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G12 compound treatment 0.976 -0.0321 -0.93 0.978 -0.0301 -0.89 -1.2854 -0.9998 2141045 SMP1_000138 C[C@@H]1C(=O)O[C@H]2[C@@H](O)C34[C@@H]5OC(=O)[C@]4(OC6OC(=O)[C@H](O)C63[C@@H]([C@@H]5O)C(C)(C)C)[C@@]12O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G13 compound treatment 1.011 0.00295 0.09 0.999 -0.00909 -0.27 -0.1296 -0.4598 3074092 SMP1_000139 C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]2(O)C[C@H](O)[C@@H]1C5=CC(=O)OC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G14 compound treatment 1.005 -0.00305 -0.09 0.996 -0.0121 -0.36 -0.3152 -0.8562 936 SMP1_000140 OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G15 compound treatment 0.995 -0.0131 -0.38 0.998 -0.0101 -0.3 -0.4782 -0.9931 2080095 SMP1_000141 CN1C(=O)C23CC4=CC=CC(O)C4N3C(=O)C1(CO)SS2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G16 compound treatment 1.01 0.00195 0.06 0.996 -0.0121 -0.36 -0.2128 -0.5882 1000325 SMP1_000142 C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G17 compound treatment 1.013 0.00495 0.14 1.013 0.00491 0.15 0.204 1.0 3074163 SMP1_000143 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)C2C(=O)C=C4[C@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G18 compound treatment 1.003 -0.00505 -0.15 1.001 -0.00709 -0.21 -0.2516 -0.9846 76 SMP1_000144 CC1(C)[C@@H](O)C[C@@H]2[C@]1(O)[C@H](O)C[C@@]3(C[C@@](C)(O)C4CC[C@H]3[C@@]2(C)O)[C@@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G19 compound treatment 1.014 0.00595 0.17 1.011 0.00291 0.09 0.1827 0.9487 1578 SMP1_000145 CC1=NCCc2c1[nH]c3cc(O)ccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G20 compound treatment 1.018 0.00995 0.29 1.014 0.00591 0.17 0.3273 0.9713 818206 SMP1_000146 N[C@@H](CCCNC(=O)N)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G21 compound treatment 1.018 0.00995 0.29 1.014 0.00591 0.17 0.3273 0.9713 1061 SMP1_000147 Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G22 mock treatment 1.012 0.00395 0.11 1.01 0.00191 0.06 0.1208 0.9473 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G23 mock treatment 1.009 9.47E-4 0.03 0.998 -0.0101 -0.3 -0.1915 -0.6394 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 G24 mock treatment 1.023 0.0149 0.43 1.013 0.00491 0.15 0.4088 0.8953 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H01 compound treatment 1.018 0.00995 0.29 1.011 0.00291 0.09 0.2646 0.88 1610 SMP1_000148 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H02 compound treatment 1.016 0.00795 0.23 1.01 0.00191 0.06 0.2027 0.8554 3075213 SMP1_000149 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H03 compound treatment 1.007 -0.00105 -0.03 1.005 -0.00309 -0.09 -0.0861 -0.8947 1651081 SMP1_000150 COc1cc(O)c2c(=O)c(coc2c1)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H04 compound treatment 1.009 9.47E-4 0.03 1.016 0.00791 0.23 0.1848 0.7847 465 SMP1_000151 NCCc1c[nH]cn1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H05 compound treatment 1.003 -0.00505 -0.15 1.006 -0.00209 -0.06 -0.1471 -0.9263 2141046 SMP1_000152 CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H06 compound treatment 0.992 -0.0161 -0.46 0.989 -0.0191 -0.56 -0.7278 -0.9954 3075214 SMP1_000153 C/C=C\1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(=C2)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H07 compound treatment 1.016 0.00795 0.23 1.016 0.00791 0.23 0.3282 1.0 1105 SMP1_000154 CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H08 compound treatment 1.021 0.0129 0.37 1.017 0.00891 0.26 0.4515 0.9851 3198966 SMP1_000155 CN1=Cc2cc3OCOc3cc2CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H09 compound treatment 0.981 -0.0271 -0.78 0.983 -0.0251 -0.74 -1.0785 -0.9996 2080102 SMP1_000156 C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H10 compound treatment 0.98 -0.0281 -0.81 0.982 -0.0261 -0.77 -1.1199 -0.9997 3198967 SMP1_000157 CC[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H11 compound treatment 1.002 -0.00605 -0.18 0.996 -0.0121 -0.36 -0.3767 -0.9462 3199059 SMP1_000158 CC[C@H](C1OC([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@@]3(O[C@@]4(CC[C@](C)(O4)C5CC[C@@H](O)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H12 compound treatment 1.011 0.00295 0.09 1.007 -0.00109 -0.03 0.0376 0.4124 1055159 SMP1_000159 NC(CC(=O)c1cccc(O)c1N)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H13 compound treatment 1.013 0.00495 0.14 1.013 0.00491 0.15 0.204 1.0 2141047 SMP1_000160 OCC1COCCOCCOCCOCCOCCO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H14 compound treatment 0.999 -0.00905 -0.26 1.001 -0.00709 -0.21 -0.3336 -0.9938 2141048 SMP1_000161 CCC(=C(c1ccc(O)cc1)c2ccc(OCCN(C)C)cc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H15 compound treatment 0.997 -0.0111 -0.32 0.999 -0.00909 -0.27 -0.4163 -0.9962 718 SMP1_000162 Cn1c(=O)n(C)c2ncn(CCO)c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H16 compound treatment 1.02 0.0119 0.35 1.015 0.00691 0.2 0.3892 0.9684 3199060 SMP1_000163 CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@@H]32)O[C@H]([C@H](N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H17 compound treatment 1.009 9.47E-4 0.03 1.007 -0.00109 -0.03 -0.0033 -0.079 3075215 SMP1_000164 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H18 compound treatment 0.986 -0.0221 -0.64 0.991 -0.0171 -0.51 -0.8088 -0.9933 2141049 SMP1_000165 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(=O)[nH]cnc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H19 compound treatment 1.002 -0.00605 -0.18 1.0 -0.00809 -0.24 -0.293 -0.9883 2141050 SMP1_000166 O[C@@H]1COC2[C@H](O)COC12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H20 compound treatment 1.007 -0.00105 -0.03 1.001 -0.00709 -0.21 -0.1697 -0.8015 760 SMP1_000167 N[C@@H]1CONC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H21 mock treatment 0.996 -0.0121 -0.35 0.997 -0.0111 -0.33 -0.4786 -0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H22 mock treatment 1.017 0.00895 0.26 1.018 0.00991 0.29 0.3905 0.9981 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H23 mock treatment 1.009 9.47E-4 0.03 1.006 -0.00209 -0.06 -0.0242 -0.3589 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 H24 mock treatment 1.017 0.00895 0.26 1.014 0.00591 0.17 0.3068 0.9816 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I01 compound treatment 1.003 -0.00505 -0.15 1.004 -0.00409 -0.12 -0.1889 -0.9955 422 SMP1_000168 Oc1cccc2C(=O)C=CC(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I02 compound treatment 0.991 -0.0171 -0.49 0.988 -0.0201 -0.59 -0.7692 -0.9958 1476 SMP1_000169 CNCCCC1(CCC2c3ccccc31)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I03 compound treatment 0.987 -0.0211 -0.61 0.992 -0.0161 -0.48 -0.7675 -0.9925 3172730 SMP1_000170 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCc4ccco4)ncnc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I04 compound treatment 0.983 -0.0251 -0.73 0.987 -0.0211 -0.62 -0.9539 -0.9972 1506 SMP1_000171 OCc1cc(=O)c(O)co1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I05 compound treatment 0.996 -0.0121 -0.35 0.987 -0.0211 -0.62 -0.6877 -0.9624 949 SMP1_000172 OC(=O)c1cc(O)c2ccccc2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I06 compound treatment 0.991 -0.0171 -0.49 0.99 -0.0181 -0.53 -0.7274 -0.9992 439 SMP1_000173 CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(=O)C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I07 compound treatment 0.987 -0.0211 -0.61 0.975 -0.0331 -0.98 -1.1229 -0.9741 3199061 SMP1_000174 OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I08 compound treatment 1.001 -0.00705 -0.2 1.0 -0.00809 -0.24 -0.3135 -0.9969 2117250 SMP1_000175 CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CC(O)C8(C)C(CCC78O)C9=CC(=O)OC9)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I09 compound treatment 0.99 -0.0181 -0.52 0.983 -0.0251 -0.74 -0.8942 -0.9853 1589 SMP1_000176 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc2ccc(O)cc2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I10 compound treatment 0.99 -0.0181 -0.52 0.983 -0.0251 -0.74 -0.8942 -0.9853 2141051 SMP1_000177 O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I11 compound treatment 0.988 -0.0201 -0.58 0.99 -0.0181 -0.53 -0.7888 -0.9992 1000220 SMP1_000178 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I12 compound treatment 0.991 -0.0171 -0.49 0.993 -0.0151 -0.45 -0.6646 -0.9987 1000323 SMP1_000179 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I13 compound treatment 0.993 -0.0151 -0.44 0.979 -0.0291 -0.86 -0.9164 -0.9504 1009367 SMP1_000180 OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I14 compound treatment 0.981 -0.0271 -0.78 0.98 -0.0281 -0.83 -1.1412 -0.9996 2141052 SMP1_000181 CN1[C@H](CC(O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I15 compound treatment 0.988 -0.0201 -0.58 0.981 -0.0271 -0.8 -0.977 -0.9875 3199063 SMP1_000182 CCCCC[C@@H](O)C1C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)C(=CC=CC=CC=CC=CC(O)C(C)OC1=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I16 compound treatment 1.002 -0.00605 -0.18 1.0 -0.00809 -0.24 -0.293 -0.9883 3199064 SMP1_000183 COc1ccc(cc1O)c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I17 compound treatment 1.013 0.00495 0.14 1.001 -0.00709 -0.21 -0.0469 -0.1846 2139 SMP1_000184 O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@H]32)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I18 compound treatment 1.006 -0.00205 -0.06 0.99 -0.0181 -0.53 -0.4202 -0.7809 1134 SMP1_000185 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I19 compound treatment 1.004 -0.00405 -0.12 0.997 -0.0111 -0.33 -0.3148 -0.9041 2141053 SMP1_000186 OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I20 compound treatment 0.994 -0.0141 -0.41 0.992 -0.0161 -0.48 -0.6241 -0.997 2141054 SMP1_000187 C[C@@H](O)[C@@H](N)c1ccc(O)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I21 mock treatment 0.998 -0.0101 -0.29 0.998 -0.0101 -0.3 -0.4168 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I22 mock treatment 0.984 -0.0241 -0.7 1.0 -0.00809 -0.24 -0.6616 -0.8984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I23 mock treatment 0.999 -0.00905 -0.26 0.998 -0.0101 -0.3 -0.3963 -0.9979 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 I24 mock treatment 0.991 -0.0171 -0.49 0.998 -0.0101 -0.3 -0.5601 -0.9708 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J01 compound treatment 0.99 -0.0181 -0.52 0.981 -0.0271 -0.8 -0.936 -0.9786 2141055 SMP1_000188 OC[C@H]1O[C@@](CO)(O[C@@H]2OC(CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@H]3OC(CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J02 compound treatment 0.992 -0.0161 -0.46 0.983 -0.0251 -0.74 -0.8532 -0.9747 683 SMP1_000189 Cc1ncc([N+](=O)[O-])n1CCO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J03 compound treatment 0.971 -0.0371 -1.07 0.974 -0.0341 -1.01 -1.4714 -0.9995 3075222 SMP1_000190 CC1C[C@H](C)C(=O)C(C1)[C@@H](O)CC2CC(=O)NC(=O)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J04 compound treatment 0.985 -0.0231 -0.67 0.994 -0.0141 -0.42 -0.7666 -0.9742 1077 SMP1_000191 CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J05 compound treatment 0.972 -0.0361 -1.04 0.971 -0.0371 -1.1 -1.5137 -0.9997 82 SMP1_000192 Nc1cc(nc(N)[n+]1[O-])N2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J06 compound treatment 1.003 -0.00505 -0.15 0.993 -0.0151 -0.45 -0.4189 -0.8923 3199066 SMP1_000193 CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J07 compound treatment 0.999 -0.00905 -0.26 1.001 -0.00709 -0.21 -0.3336 -0.9938 3075223 SMP1_000194 COC1=C[C@@]23CCCN3CCc4cc5OCOc5cc4[C@@H]2[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J08 compound treatment 1.009 9.47E-4 0.03 1.004 -0.00409 -0.12 -0.0661 -0.533 1528 SMP1_000195 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J09 compound treatment 0.986 -0.0221 -0.64 0.982 -0.0261 -0.77 -0.997 -0.9956 281 SMP1_000196 Ic1cccc2c(cccc12)S(=O)(=O)N3CCCNCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J10 compound treatment 0.995 -0.0131 -0.38 0.984 -0.0241 -0.71 -0.7709 -0.9561 438 SMP1_000197 CCOC(=O)C1=C(C)NC(=S)NC1c2cccc(O)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J11 compound treatment 0.999 -0.00905 -0.26 0.993 -0.0151 -0.45 -0.5008 -0.9679 3187756 SMP1_000198 CC[C@]1(CC[C@@H](O1)[C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@H](O3)[C@@H](C)[C@@H](OC)C(C)C(=O)O)O2)[C@@H]4O[C@H](C[C@@H]4C)[C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J12 compound treatment 1.004 -0.00405 -0.12 0.998 -0.0101 -0.3 -0.2939 -0.9169 1538 SMP1_000199 Oc1ccc(c(O)c1)c2oc3cc(O)cc(O)c3c(=O)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J13 compound treatment 1.001 -0.00705 -0.2 1.006 -0.00209 -0.06 -0.1881 -0.8814 1000139 SMP1_000200 CO[C@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J14 compound treatment 0.987 -0.0211 -0.61 0.988 -0.0201 -0.59 -0.8511 -0.9999 2178 SMP1_000201 NCc1cc(O)no1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J15 compound treatment 0.986 -0.0221 -0.64 0.985 -0.0231 -0.68 -0.9343 -0.9994 1060170 SMP1_000202 COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J16 compound treatment 0.982 -0.0261 -0.75 0.985 -0.0231 -0.68 -1.0162 -0.9988 1055 SMP1_000203 CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J17 compound treatment 1.012 0.00395 0.11 0.992 -0.0161 -0.48 -0.2555 -0.5223 3177283 SMP1_000204 O[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC6CCC6)c54 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J18 compound treatment 1.007 -0.00105 -0.03 0.989 -0.0191 -0.56 -0.4206 -0.7442 929 SMP1_000205 Oc1ccc2C[C@H]3N(CC=C)CC[C@]4([C@H]5Oc1c24)[C@@]3(O)CCC5=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J19 compound treatment 0.999 -0.00905 -0.26 0.981 -0.0271 -0.8 -0.7517 -0.892 3189051 SMP1_000206 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@]5([C@H]6Oc1c25)[C@@]3(O)CCC6=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J20 compound treatment 0.994 -0.0141 -0.41 0.99 -0.0181 -0.53 -0.6659 -0.9909 2141056 SMP1_000207 COC(=O)[C@H](N)Cc1ccc(O)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J21 mock treatment 0.997 -0.0111 -0.32 1.005 -0.00309 -0.09 -0.2909 -0.8739 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J22 mock treatment 0.988 -0.0201 -0.58 0.981 -0.0271 -0.8 -0.977 -0.9875 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J23 mock treatment 0.989 -0.0191 -0.55 0.993 -0.0151 -0.45 -0.7056 -0.9944 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 J24 mock treatment 1.001 -0.00705 -0.2 1.008 -8.77E-5 0.0 -0.1463 -0.716 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K01 compound treatment 1.005 -0.00305 -0.09 1.005 -0.00309 -0.09 -0.1271 -0.9999 3199068 SMP1_000208 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K02 compound treatment 1.003 -0.00505 -0.15 1.007 -0.00109 -0.03 -0.1262 -0.8424 3075224 SMP1_000209 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K03 compound treatment 1.008 -5.26E-5 0.0 0.999 -0.00909 -0.27 -0.1911 -0.7111 3173760 SMP1_000210 COc1cc2CCN(C)[C@@H]3Cc4cccc(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)c(O)c5)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K04 compound treatment 0.998 -0.0101 -0.29 0.998 -0.0101 -0.3 -0.4168 -0.9999 1092 SMP1_000211 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K05 compound treatment 1.003 -0.00505 -0.15 1.003 -0.00509 -0.15 -0.2098 -0.9999 1010814 SMP1_000212 CC(=CCCC(=CCO)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K06 compound treatment 1.004 -0.00405 -0.12 1.004 -0.00409 -0.12 -0.1685 -0.9999 3199069 SMP1_000213 CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@@H](O2)[C@H](C)C(=O)O)O[C@]3(O[C@@](C)(C[C@H]3C)[C@H]4CC[C@](C)(O4)[C@@H]5O[C@H](C[C@@H]5C)[C@H]6O[C@@](O)(CO)[C@H](C)C[C@@H]6C)[C@@H]1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K07 compound treatment 1.004 -0.00405 -0.12 0.999 -0.00909 -0.27 -0.273 -0.931 2141057 SMP1_000214 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc(cc2)[N+](=O)[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K08 compound treatment 1.007 -0.00105 -0.03 1.007 -0.00109 -0.03 -0.0443 -0.9996 3075226 SMP1_000215 CC(C)c1c(O)ccc2c1CC[C@H]3C(C)(C)CCC[C@@]32C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K09 compound treatment 1.009 9.47E-4 0.03 1.001 -0.00709 -0.21 -0.1288 -0.6093 747 SMP1_000216 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCNCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K10 compound treatment 0.997 -0.0111 -0.32 1.0 -0.00809 -0.24 -0.3954 -0.9897 3180381 SMP1_000217 O[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K11 compound treatment 1.005 -0.00305 -0.09 0.992 -0.0161 -0.48 -0.3989 -0.8244 770 SMP1_000218 CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K12 compound treatment 1.008 -5.26E-5 0.0 1.006 -0.00209 -0.06 -0.0447 -0.7243 3199070 SMP1_000219 C[C@H]1O[C@@H](OC/2CC3OC(O)(CC(O)C3C(=O)O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)/C=C/C=C/CC\C=C\C=C\C=C\C=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K13 compound treatment 1.002 -0.00605 -0.18 1.002 -0.00609 -0.18 -0.2512 -0.9999 3075227 SMP1_000220 CC1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K14 compound treatment 0.989 -0.0191 -0.55 0.994 -0.0141 -0.42 -0.6847 -0.9904 893 SMP1_000221 NCC(O)c1ccc(O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K15 compound treatment 1.012 0.00395 0.11 1.003 -0.00509 -0.15 -0.0255 -0.1351 3199071 SMP1_000222 C[C@@H](C[C@H](O)[C@H]1C[C@@H]2CC[C@@]3(CC[C@@H](O3)/C=C/[C@@H](C)[C@@H]4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)C)O[C@H]2[C@H](O)C1=C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K16 compound treatment 0.98 -0.0281 -0.81 0.986 -0.0221 -0.65 -1.0362 -0.9941 3199072 SMP1_000223 CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K17 compound treatment 1.027 0.0189 0.55 1.014 0.00591 0.17 0.5116 0.8884 1001980 SMP1_000224 CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K18 compound treatment 1.009 9.47E-4 0.03 1.007 -0.00109 -0.03 -0.0033 -0.079 3075228 SMP1_000225 CCC/1CCC2OC3(CC[C@@H](C)C(C[C@H](C)O)O3)[C@H](C)C(OC(=O)/C=C/[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C1)[C@H]2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K19 compound treatment 1.014 0.00595 0.17 1.007 -0.00109 -0.03 0.0991 0.5653 2141058 SMP1_000226 CCCCCc1cc(O)cc(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K20 compound treatment 1.015 0.00695 0.2 1.011 0.00291 0.09 0.2032 0.9283 1001920 SMP1_000227 CNC[C@H](O)c1ccc(O)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K21 mock treatment 1.009 9.47E-4 0.03 0.991 -0.0171 -0.51 -0.3378 -0.6677 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K22 mock treatment 1.007 -0.00105 -0.03 1.014 0.00591 0.17 0.102 0.5751 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K23 mock treatment 1.021 0.0129 0.37 1.004 -0.00409 -0.12 0.1797 0.4561 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 K24 mock treatment 1.003 -0.00505 -0.15 0.99 -0.0181 -0.53 -0.4816 -0.8687 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L01 compound treatment 0.997 -0.0111 -0.32 0.996 -0.0121 -0.36 -0.4791 -0.9985 1000045 SMP1_000228 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L02 compound treatment 0.993 -0.0151 -0.44 0.983 -0.0251 -0.74 -0.8327 -0.9679 2141059 SMP1_000229 OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L03 compound treatment 1.006 -0.00205 -0.06 1.007 -0.00109 -0.03 -0.0648 -0.9584 1066 SMP1_000230 OC1OCC=C2OC(=O)C=C12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L04 compound treatment 1.008 -5.26E-5 0.0 0.998 -0.0101 -0.3 -0.212 -0.7107 652 SMP1_000231 COc1c(O)cc(O)c2c(=O)c(coc12)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L05 compound treatment 0.994 -0.0141 -0.41 0.987 -0.0211 -0.62 -0.7286 -0.9786 3199074 SMP1_000232 CC(=C)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)C(CC[C@@]3(O)[C@@]52O[C@@H]5[C@H]1O)[C@@H]6OC(C)(C)[C@H]7C[C@@H]8C(=C)Cc9c(Cl)cc%10[nH]c4c6c%10c9[C@@]87O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L06 compound treatment 0.988 -0.0201 -0.58 0.984 -0.0241 -0.71 -0.9142 -0.9949 3470993 SMP1_000233 COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L07 compound treatment 1.008 -5.26E-5 0.0 1.01 0.00191 0.06 0.0389 0.6878 907471 SMP1_000234 CC(O)C1NC(=O)C(C)NC(=O)C(CC(C)(O)CO)NC(=O)C2Cc3c(SCC(NC1=O)C(=O)N4CC(O)CC4C(=O)NC(C)C(=O)N2)[nH]c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L08 compound treatment 1.003 -0.00505 -0.15 0.994 -0.0141 -0.42 -0.398 -0.9015 1511 SMP1_000235 Oc1ccc(cc1)C2(OC(=O)c3ccccc32)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L09 compound treatment 0.991 -0.0171 -0.49 0.997 -0.0111 -0.33 -0.581 -0.9802 3046406 SMP1_000236 Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L10 compound treatment 1.019 0.0109 0.32 1.01 0.00191 0.06 0.2642 0.8203 924 SMP1_000237 NC(=N)NC(=N)Nc1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L11 compound treatment 0.983 -0.0251 -0.73 0.985 -0.0231 -0.68 -0.9957 -0.9995 647 SMP1_000238 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L12 compound treatment 1.006 -0.00205 -0.06 1.006 -0.00209 -0.06 -0.0857 -0.9998 1355 SMP1_000239 CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@@]53C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L13 compound treatment 1.009 9.47E-4 0.03 1.006 -0.00209 -0.06 -0.0242 -0.3589 3199166 SMP1_000240 C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)C[C@H]4O[C@@H]4C=CC(=O)O[C@H](C)CC=CC=CC=CC=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L14 compound treatment 0.978 -0.0301 -0.87 0.969 -0.0391 -1.16 -1.4326 -0.9902 2117626 SMP1_000241 Fc1ccc(cc1)C(CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34)c5ccc(F)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L15 compound treatment 1.004 -0.00405 -0.12 1.005 -0.00309 -0.09 -0.1475 -0.9923 1258 SMP1_000242 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCNCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L16 compound treatment 1.014 0.00595 0.17 1.003 -0.00509 -0.15 0.0154 0.0675 1001531 SMP1_000243 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L17 compound treatment 1.026 0.0179 0.52 1.03 0.0219 0.65 0.8256 0.994 3199167 SMP1_000244 CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC(=O)C(CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC1=O)C(C)O)NC(=O)C(CCN)NC(=O)C(N)C(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L18 compound treatment 1.027 0.0189 0.55 1.016 0.00791 0.23 0.5534 0.9278 3075229 SMP1_000245 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc2ccc(O)c(O)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L19 compound treatment 1.012 0.00395 0.11 1.006 -0.00209 -0.06 0.0372 0.2862 3075230 SMP1_000246 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L20 compound treatment 1.007 -0.00105 -0.03 0.999 -0.00909 -0.27 -0.2115 -0.7823 740 SMP1_000247 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L21 mock treatment 1.0 -0.00805 -0.23 1.01 0.00191 0.06 -0.1249 -0.5206 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L22 mock treatment 1.007 -0.00105 -0.03 1.006 -0.00209 -0.06 -0.0652 -0.9471 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L23 mock treatment 1.002 -0.00605 -0.18 1.01 0.00191 0.06 -0.084 -0.4559 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 L24 mock treatment 1.009 9.47E-4 0.03 1.014 0.00591 0.17 0.143 0.8082 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M01 compound treatment 0.992 -0.0161 -0.46 0.986 -0.0221 -0.65 -0.7905 -0.9861 3199168 SMP1_000248 CO[C@@H]([C@@H]1Cc2cc3cc(O[C@@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@@H](OC)[C@@H](C)O5)[C@H](OC(=O)C)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6OC[C@@H](O[C@H]7OC[C@@H](O[C@H]8C[C@](C)(O)[C@@H](OC(=O)C)[C@H](C)O8)[C@H](O)[C@H]7C)[C@H](O)[C@H]6C)C(=O)[C@@H](O)[C@@H](C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M02 compound treatment 0.975 -0.0331 -0.96 0.981 -0.0271 -0.8 -1.2432 -0.9961 3075231 SMP1_000249 CCCCCCCCCCCCCC=CC(O)C(N)C(O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M03 compound treatment 0.99 -0.0181 -0.52 0.988 -0.0201 -0.59 -0.7897 -0.998 3075232 SMP1_000250 COc1ccc(C[C@@H](N)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M04 compound treatment 0.973 -0.0351 -1.02 0.98 -0.0281 -0.83 -1.305 -0.995 3075233 SMP1_000251 CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M05 compound treatment 0.995 -0.0131 -0.38 0.996 -0.0121 -0.36 -0.52 -0.9996 353 SMP1_000252 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M06 compound treatment 0.985 -0.0231 -0.67 0.987 -0.0211 -0.62 -0.9129 -0.9994 3199169 SMP1_000253 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M07 compound treatment 0.989 -0.0191 -0.55 0.99 -0.0181 -0.53 -0.7683 -0.9999 3199170 SMP1_000254 COc1ccc2nccc([C@@H](O)[C@@H]3CC4CCN3C[C@H]4C=C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M08 compound treatment 0.992 -0.0161 -0.46 1.006 -0.00209 -0.06 -0.3724 -0.794 3199171 SMP1_000255 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M09 compound treatment 0.996 -0.0121 -0.35 0.987 -0.0211 -0.62 -0.6877 -0.9624 1011756 SMP1_000256 Oc1ccc2nc3ccc(=O)cc3oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M10 compound treatment 0.971 -0.0371 -1.07 0.964 -0.0441 -1.3 -1.6805 -0.9953 1652119 SMP1_000257 Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M11 compound treatment 0.982 -0.0261 -0.75 0.972 -0.0361 -1.07 -1.288 -0.9856 2141060 SMP1_000258 CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M12 compound treatment 1.001 -0.00705 -0.2 0.999 -0.00909 -0.27 -0.3344 -0.9908 3199172 SMP1_000259 C/C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M13 compound treatment 0.985 -0.0231 -0.67 0.977 -0.0311 -0.92 -1.122 -0.9877 3075417 SMP1_000260 COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M14 compound treatment 0.992 -0.0161 -0.46 0.988 -0.0201 -0.59 -0.7487 -0.9927 1380 SMP1_000261 NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M15 compound treatment 0.98 -0.0281 -0.81 0.971 -0.0371 -1.1 -1.3498 -0.9891 2141061 SMP1_000262 Cc1cc2nc3c(=O)[nH]c(=O)nc3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M16 compound treatment 0.99 -0.0181 -0.52 0.984 -0.0241 -0.71 -0.8733 -0.9884 2551 SMP1_000263 COc1cc(NC(C)CCCN)c2ncccc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M17 compound treatment 1.007 -0.00105 -0.03 0.997 -0.0111 -0.33 -0.2534 -0.7695 3199174 SMP1_000264 COC1C=COC2(C)Oc3c(C2=O)c4c(O)c(C=NN5CCN(C)CC5)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(C1C)C(=O)OC)C)c(O)c4c(O)c3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M18 compound treatment 0.999 -0.00905 -0.26 0.994 -0.0141 -0.42 -0.4799 -0.9751 2141062 SMP1_000265 CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC(=O)C2COC(=O)CNC(=O)/C=C/[C@](O)(CCl)[C@@H](C)Oc3ccc(cc3)[C@H](NC1=O)C(=O)N(C)[C@@H](Cc4ccccc4)C(=O)N[C@H]([C@@H](C)O)C(=O)N2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M19 compound treatment 0.987 -0.0211 -0.61 0.982 -0.0261 -0.77 -0.9765 -0.9932 291 SMP1_000266 CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M20 compound treatment 0.985 -0.0231 -0.67 0.985 -0.0231 -0.68 -0.9548 -0.9999 2141063 SMP1_000267 N[C@@H](CCCNC=NNO)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M21 mock treatment 0.987 -0.0211 -0.61 0.98 -0.0281 -0.83 -1.0183 -0.9885 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M22 mock treatment 0.991 -0.0171 -0.49 0.998 -0.0101 -0.3 -0.5601 -0.9708 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M23 mock treatment 0.994 -0.0141 -0.41 0.995 -0.0131 -0.39 -0.5614 -0.9997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 M24 mock treatment 0.996 -0.0121 -0.35 1.003 -0.00509 -0.15 -0.3532 -0.9292 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N01 compound treatment 0.99 -0.0181 -0.52 0.988 -0.0201 -0.59 -0.7897 -0.998 1523 SMP1_000268 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N02 compound treatment 0.974 -0.0341 -0.99 0.98 -0.0281 -0.83 -1.2846 -0.9963 3471131 SMP1_000269 CCC(C1CCC(C)C(O1)C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C5CCC(O)(CC)C(C)O5)C(O)C=C3)C(C)CC2C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N03 compound treatment 0.982 -0.0261 -0.75 0.973 -0.0351 -1.04 -1.2671 -0.9878 3075421 SMP1_000270 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@H]32)OC(=O)[C@H](CO)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N04 compound treatment 0.981 -0.0271 -0.78 0.973 -0.0351 -1.04 -1.2876 -0.9904 3199176 SMP1_000271 OC[C@H]1O[C@@H](Oc2cccc3[C@@H]([C@@H]4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N05 compound treatment 0.975 -0.0331 -0.96 0.977 -0.0311 -0.92 -1.3268 -0.9998 429 SMP1_000272 NCCc1c[nH]c2ccc(O)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N06 compound treatment 0.984 -0.0241 -0.7 0.983 -0.0251 -0.74 -1.0171 -0.9995 2141064 SMP1_000273 COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N07 compound treatment 0.997 -0.0111 -0.32 0.995 -0.0131 -0.39 -0.5 -0.9956 3069775 SMP1_000274 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N08 compound treatment 0.991 -0.0171 -0.49 0.995 -0.0131 -0.39 -0.6228 -0.9927 3199177 SMP1_000275 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]61CC[C@@H](C)CO6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N09 compound treatment 0.993 -0.0151 -0.44 0.996 -0.0121 -0.36 -0.561 -0.9951 795 SMP1_000276 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N10 compound treatment 0.973 -0.0351 -1.02 0.968 -0.0401 -1.19 -1.5559 -0.997 2141065 SMP1_000277 CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N11 compound treatment 0.976 -0.0321 -0.93 0.977 -0.0311 -0.92 -1.3063 -1.0 688 SMP1_000278 CO[C@H]1[C@H](O)CC(=O)O[C@@H](C)CC=CC=C[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N12 compound treatment 0.986 -0.0221 -0.64 0.979 -0.0291 -0.86 -1.0597 -0.9893 3075481 SMP1_000279 CN[C@H]1C[C@H]2O[C@@](C)([C@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N13 compound treatment 0.993 -0.0151 -0.44 0.994 -0.0141 -0.42 -0.6028 -0.9997 3075482 SMP1_000280 CC[C@H](C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N14 compound treatment 0.988 -0.0201 -0.58 0.977 -0.0311 -0.92 -1.0606 -0.9755 324 SMP1_000281 Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N15 compound treatment 0.976 -0.0321 -0.93 0.978 -0.0301 -0.89 -1.2854 -0.9998 1149 SMP1_000282 CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N16 compound treatment 0.991 -0.0171 -0.49 0.987 -0.0211 -0.62 -0.7901 -0.9933 1241 SMP1_000283 NC(=N)NS(=O)(=O)c1ccc(N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N17 compound treatment 1.003 -0.00505 -0.15 0.999 -0.00909 -0.27 -0.2935 -0.9592 799 SMP1_000284 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N18 compound treatment 0.989 -0.0191 -0.55 0.988 -0.0201 -0.59 -0.8101 -0.9993 3199269 SMP1_000285 C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N19 compound treatment 0.986 -0.0221 -0.64 0.991 -0.0171 -0.51 -0.8088 -0.9933 197 SMP1_000286 O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N20 compound treatment 0.995 -0.0131 -0.38 0.992 -0.0161 -0.48 -0.6036 -0.9935 999 SMP1_000287 CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N21 mock treatment 0.997 -0.0111 -0.32 1.0 -0.00809 -0.24 -0.3954 -0.9897 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N22 mock treatment 0.989 -0.0191 -0.55 0.987 -0.0211 -0.62 -0.831 -0.9981 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N23 mock treatment 0.991 -0.0171 -0.49 0.992 -0.0161 -0.48 -0.6855 -0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 N24 mock treatment 0.989 -0.0191 -0.55 0.983 -0.0251 -0.74 -0.9147 -0.9894 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O01 compound treatment 1.01 0.00195 0.06 1.006 -0.00209 -0.06 -0.0038 -0.0451 3199270 SMP1_000288 CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O02 compound treatment 1.017 0.00895 0.26 1.016 0.00791 0.23 0.3486 0.9987 2141066 SMP1_000289 CC[C@H]1O[C@@H]2O[C@@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O03 compound treatment 1.001 -0.00705 -0.2 1.003 -0.00509 -0.15 -0.2508 -0.9887 2141067 SMP1_000290 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O04 compound treatment 1.006 -0.00205 -0.06 1.007 -0.00109 -0.03 -0.0648 -0.9584 856 SMP1_000291 Cn1c(=O)n(C)c2nc[nH]c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O05 compound treatment 1.005 -0.00305 -0.09 1.001 -0.00709 -0.21 -0.2107 -0.9264 1000110 SMP1_000292 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O06 compound treatment 1.013 0.00495 0.14 1.016 0.00791 0.23 0.2667 0.9723 3075485 SMP1_000293 O=c1cc[nH]c(=S)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O07 compound treatment 1.014 0.00595 0.17 1.007 -0.00109 -0.03 0.0991 0.5653 312 SMP1_000294 CCCCC[C@H](O)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O08 compound treatment 1.026 0.0179 0.52 1.026 0.0179 0.53 0.742 1.0 3199272 SMP1_000295 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@]61CCC(C)CO6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O09 compound treatment 1.018 0.00995 0.29 1.01 0.00191 0.06 0.2437 0.83 1813 SMP1_000296 N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O10 compound treatment 0.999 -0.00905 -0.26 1.005 -0.00309 -0.09 -0.2499 -0.9003 3075541 SMP1_000297 O=C1CNC2(CCN(CCc3ccccc3)CC2)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O11 compound treatment 1.019 0.0109 0.32 1.013 0.00491 0.15 0.3269 0.9374 909 SMP1_000298 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O12 compound treatment 1.01 0.00195 0.06 1.016 0.00791 0.23 0.2053 0.8531 2141068 SMP1_000299 OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O13 compound treatment 1.006 -0.00205 -0.06 1.001 -0.00709 -0.21 -0.1902 -0.8732 1002008 SMP1_000300 C[C@@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C[C@@H](O)[C@]1(O)C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O14 compound treatment 0.996 -0.0121 -0.35 0.995 -0.0131 -0.39 -0.5204 -0.9987 3075542 SMP1_000301 Nc1nc(N)c(nc1Cl)C(=O)NC(=N)NCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O15 compound treatment 1.012 0.00395 0.11 1.009 9.12E-4 0.03 0.0999 0.8506 3199275 SMP1_000302 C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O16 compound treatment 1.016 0.00795 0.23 1.013 0.00491 0.15 0.2654 0.9754 3075543 SMP1_000303 C[C@H](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O17 compound treatment 1.035 0.0269 0.78 1.031 0.0229 0.68 1.0309 0.9975 1075 SMP1_000304 CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O18 compound treatment 1.011 0.00295 0.09 1.011 0.00291 0.09 0.1212 1.0 1040 SMP1_000305 CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc4ccccc4)NC(=O)C5CCCN5C(=O)C(Cc6ccccc6)NC1=O)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O19 compound treatment 1.015 0.00695 0.2 1.004 -0.00409 -0.12 0.0568 0.242 3199276 SMP1_000306 CC(C)CCCCCCCCCCC/C=C/C(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CC(O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3ccc(=O)[nH]c3=O)O[C@H]1O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4NC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O20 compound treatment 1.027 0.0189 0.55 1.03 0.0219 0.65 0.8461 0.9966 1000019 SMP1_000307 CO[C@@]12[C@H]3N[C@H]3CN2C4=C([C@H]1COC(=O)N)C(=O)C(=C(C)C4=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O21 mock treatment 1.025 0.0169 0.49 1.025 0.0169 0.5 0.7006 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O22 mock treatment 1.029 0.0209 0.61 1.026 0.0179 0.53 0.8034 0.9977 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O23 mock treatment 1.019 0.0109 0.32 1.015 0.00691 0.2 0.3687 0.9774 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 O24 mock treatment 1.007 -0.00105 -0.03 1.009 9.12E-4 0.03 -0.0025 -0.061 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P01 compound treatment 0.997 -0.0111 -0.32 0.99 -0.0181 -0.53 -0.6045 -0.9699 2141069 SMP1_000308 CC(=O)C1=C(O)[C@]2(C)C(=CC1=O)Oc3c2c(O)c(C)c(O)c3C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P02 compound treatment 1.011 0.00295 0.09 1.002 -0.00609 -0.18 -0.0669 -0.3359 3075548 SMP1_000309 C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P03 compound treatment 1.0 -0.00805 -0.23 1.003 -0.00509 -0.15 -0.2713 -0.9775 3199277 SMP1_000310 CCCC(NC)C(=O)NC1C(O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)C(O)C6NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC1=O)c7ccc(O)c(c7)-c8c(O)cc(O)cc8C(NC6=O)C(=O)O)c3OC9OC(CO)C(O)C(O)C9OC%10CC(C)(N)C(O)C(C)O%10)c(Cl)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P04 compound treatment 0.992 -0.0161 -0.46 0.985 -0.0231 -0.68 -0.8114 -0.9825 3075550 SMP1_000311 COc1ccc(cc1OC)C(=O)O[C@H]2CC[C@@]3(C)C4CC[C@@H]5C3(CC6(O)[C@@H]7CN8C[C@@H](C)CC[C@H]8[C@@](C)(O)C7(O)[C@@H](O)CC56O)O[C@@]42O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P05 compound treatment 1.002 -0.00605 -0.18 0.997 -0.0111 -0.33 -0.3558 -0.957 1000109 SMP1_000312 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P06 compound treatment 1.001 -0.00705 -0.2 1.002 -0.00609 -0.18 -0.2717 -0.998 3177546 SMP1_000313 CCC1(O)CC2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P07 compound treatment 1.009 9.47E-4 0.03 1.013 0.00491 0.15 0.1221 0.8261 3069234 SMP1_000314 CC[C@]1(CCCN2CCc3c4[C@@H]21)C[C@](O)(C(=O)OC)n4c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P08 compound treatment 1.003 -0.00505 -0.15 1.004 -0.00409 -0.12 -0.1889 -0.9955 3177541 SMP1_000315 CCC1(O)CC2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P09 compound treatment 1.0 -0.00805 -0.23 1.003 -0.00509 -0.15 -0.2713 -0.9775 1000116 SMP1_000316 CC(=O)CC(c1ccccc1)c2c(O)c3ccccc3oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P10 compound treatment 0.997 -0.0111 -0.32 1.0 -0.00809 -0.24 -0.3954 -0.9897 3199278 SMP1_000317 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@H](O)CC2(C)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P11 compound treatment 0.997 -0.0111 -0.32 0.991 -0.0171 -0.51 -0.5836 -0.9758 2141070 SMP1_000318 C[C@H](CCC=C(C)C)c1ccc(C)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P12 compound treatment 1.007 -0.00105 -0.03 1.006 -0.00209 -0.06 -0.0652 -0.9471 1076 SMP1_000319 Cc1cccc(C)c1NC2=NCCCS2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P13 compound treatment 1.017 0.00895 0.26 1.016 0.00791 0.23 0.3486 0.9987 3000363 SMP1_000320 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P14 compound treatment 1.014 0.00595 0.17 1.008 -8.77E-5 0.0 0.12 0.6964 3068881 SMP1_000321 CCCOc1ccccc1c2nc(=O)c3[nH]nnc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P15 compound treatment 1.004 -0.00405 -0.12 1.008 -8.77E-5 0.0 -0.0848 -0.7226 1002031 SMP1_000322 C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P16 compound treatment 0.994 -0.0141 -0.41 1.0 -0.00809 -0.24 -0.4569 -0.9679 3173242 SMP1_000323 Nc1nc2cc(Cl)ccc2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P17 compound treatment 1.01 0.00195 0.06 1.01 0.00191 0.06 0.0799 1.0 2076 SMP1_000324 CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P18 compound treatment 1.03 0.0219 0.64 1.027 0.0189 0.56 0.8448 0.998 3075553 SMP1_000325 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P19 compound treatment 0.997 -0.0111 -0.32 1.014 0.00591 0.17 -0.1027 -0.2817 1002002 SMP1_000326 O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P20 compound treatment 1.004 -0.00405 -0.12 1.013 0.00491 0.15 0.0197 0.1055 2141071 SMP1_000327 Nc1nc(=O)c2nc(cnc2[nH]1)[C@H](O)[C@H](O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P21 mock treatment 1.001 -0.00705 -0.2 1.009 9.12E-4 0.03 -0.1254 -0.6084 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P22 mock treatment 1.026 0.0179 0.52 1.031 0.0229 0.68 0.8465 0.9914 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P23 mock treatment 1.015 0.00695 0.2 1.022 0.0139 0.41 0.4331 0.9459 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.1461 P24 mock treatment 1.004 -0.00405 -0.12 1.011 0.00291 0.09 -0.0221 -0.1519 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A01 compound treatment 1.021 -0.009 -0.26 1.025 -0.00659 -0.19 -0.322 -0.9897 1205993 ChemDiv3_000001 Cc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A02 compound treatment 0.997 -0.033 -0.96 1.001 -0.0306 -0.9 -1.3152 -0.9996 1044707 ChemDiv3_000002 OC(=O)c1ccccc1C(=O)c2ccc(cc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A03 compound treatment 1.011 -0.019 -0.55 1.001 -0.0306 -0.9 -1.0285 -0.9716 1699093 ChemDiv3_000003 Cc1ccc(Nc2ccc3ncnc4-c5ccccc5C(=O)c2c43)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A04 compound treatment 1.009 -0.021 -0.61 1.009 -0.0226 -0.67 -0.9022 -0.9989 3117569 ChemDiv3_000004 Clc1c(sc2ccccc12)C(=O)Nc3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A05 compound treatment 1.013 -0.017 -0.49 1.003 -0.0286 -0.85 -0.9458 -0.9669 1561677 ChemDiv3_000005 CCOC(=O)c1c(O)nc2c3ccccc3oc2c1c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A06 compound treatment 0.997 -0.033 -0.96 1.001 -0.0306 -0.9 -1.3152 -0.9996 3117570 ChemDiv3_000006 CN(C)C(=O)C[n+]1ccc(/C=N/O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A07 compound treatment 0.982 -0.048 -1.39 0.982 -0.0496 -1.47 -2.0196 -0.9996 1166193 ChemDiv3_000007 CCCC1CCC(CC1)c2ccc(cc2)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A08 compound treatment 1.015 -0.015 -0.43 1.013 -0.0186 -0.55 -0.6957 -0.9932 3019825 ChemDiv3_000008 C(c1ccccc1)[n+]2ccc(cc2)c3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A09 compound treatment 1.005 -0.025 -0.72 1.007 -0.0246 -0.73 -1.026 -1.0 1640201 ChemDiv3_000009 CCCc1ccc(OC(=O)c2ccc(O)cc2Cl)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A10 compound treatment 1.009 -0.021 -0.61 1.002 -0.0296 -0.87 -1.0486 -0.9842 1305993 ChemDiv3_000010 Cc1sc(N)nc1C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A11 compound treatment 1.034 0.004 0.12 1.017 -0.0146 -0.43 -0.223 -0.4995 3019826 ChemDiv3_000011 CCN1C(=O)/C(=C/C=C\2/Sc3ccccc3N2CC)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A12 compound treatment 1.013 -0.017 -0.49 1.014 -0.0176 -0.52 -0.7158 -0.9996 1005107 ChemDiv3_000012 CC(C)(C)C(=O)C[n+]1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A13 compound treatment 0.999 -0.031 -0.9 0.991 -0.0406 -1.2 -1.4833 -0.9898 1917998 ChemDiv3_000013 CN(C)c1ccc(cc1)c2n(C)c3ccccc3[n+]2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A14 compound treatment 0.997 -0.033 -0.96 0.995 -0.0366 -1.08 -1.4407 -0.9981 3117571 ChemDiv3_000014 O/N=C/c1cc[n+](C/C=C\c2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A15 compound treatment 1.027 -0.003 -0.09 1.025 -0.00659 -0.19 -0.1991 -0.9339 1511477 ChemDiv3_000015 Cc1ccc(cc1)S(=O)(=O)c2ccc(cc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A16 compound treatment 1.01 -0.02 -0.58 1.012 -0.0196 -0.58 -0.819 -1.0 1463254 ChemDiv3_000016 C(CN1CCOCC1)Oc2ccc3ccccc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A17 compound treatment 1.014 -0.016 -0.46 1.012 -0.0196 -0.58 -0.7371 -0.9939 1289110 ChemDiv3_000017 N#CC(=c1ccc(=C(C#N)c2ccc(cc2)N3CCCC3)cc1)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A18 compound treatment 1.0 -0.03 -0.87 1.003 -0.0286 -0.85 -1.212 -0.9999 1594677 ChemDiv3_000018 CC(C)CN(CC(C)C)Cn1c(=O)oc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A19 compound treatment 1.039 0.009 0.26 1.037 0.00541 0.16 0.2975 0.9726 1914297 ChemDiv3_000019 COc1ccc(/C=N/n2cnnc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A20 compound treatment 1.021 -0.009 -0.26 1.026 -0.00559 -0.17 -0.3011 -0.9758 1550111 ChemDiv3_000020 CC(C)C1CCC(C)C(C(O)c2ccc(cc2)c3ccccc3)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A21 compound treatment 1.017 -0.013 -0.38 1.015 -0.0166 -0.49 -0.613 -0.9915 3019827 ChemDiv3_000021 CN(C)c1ccc(/C=C/C=C/c2cc[n+](C)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A22 compound treatment 1.004 -0.026 -0.75 1.01 -0.0216 -0.64 -0.9837 -0.9966 1470588 ChemDiv3_000022 Fc1ccccc1C(=O)Oc2cccc(OC(=O)c3ccccc3F)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A23 mock treatment 1.496 0.466 13.5 1.448 0.416 12.31 18.2486 0.9989 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 A24 mock treatment 1.004 -0.026 -0.75 1.003 -0.0286 -0.85 -1.1301 -0.9983 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B01 compound treatment 1.001 -0.029 -0.84 0.998 -0.0336 -0.99 -1.296 -0.9965 3117572 ChemDiv3_000023 COc1ccc(/C=N/c2ccc(OCC(O)CN3C(C)CCCC3C)cc2)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B02 compound treatment 1.023 -0.007 -0.2 1.018 -0.0136 -0.4 -0.4274 -0.9499 1476169 ChemDiv3_000024 CC(C)(C)NC(=O)C1(CC2CC3C1)CC(C2)CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B03 compound treatment 1.014 -0.016 -0.46 1.007 -0.0246 -0.73 -0.8417 -0.9764 1164812 ChemDiv3_000025 O(c1ccccc1)c2cccc(Oc3ccccc3)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B04 compound treatment 1.019 -0.011 -0.32 1.01 -0.0216 -0.64 -0.6766 -0.9485 3019828 ChemDiv3_000026 Brc1ccc(/C=N/C2CCCCC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B05 compound treatment 0.994 -0.036 -1.04 0.986 -0.0456 -1.35 -1.6903 -0.9919 2083946 ChemDiv3_000027 O=C(/C=C/c1ccccc1)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B06 compound treatment 0.998 -0.032 -0.93 0.991 -0.0406 -1.2 -1.5038 -0.9918 3117574 ChemDiv3_000028 CC1(CC2(C)CC3(C)C1)CC(C/N=C/c4ccc(O)cc4)(C2)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B07 compound treatment 1.02 -0.01 -0.29 1.02 -0.0116 -0.34 -0.447 -0.9965 1666537 ChemDiv3_000029 COC(=O)NCC1(CC2CC3CC(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B08 compound treatment 0.998 -0.032 -0.93 0.998 -0.0336 -0.99 -1.3575 -0.9994 1021487 ChemDiv3_000030 C1CN(CCN1c2ccccn2)c3ccccn3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B09 compound treatment 1.066 0.036 1.04 1.048 0.0164 0.49 1.0804 0.9395 3019829 ChemDiv3_000031 COc1ccc(/C=N/c2ccc(C)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B10 compound treatment 1.024 -0.006 -0.17 1.021 -0.0106 -0.31 -0.3442 -0.9614 1699181 ChemDiv3_000032 Cc1c(NC(=O)c2ccccc2)c(=O)n(c3ccccc3)n1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B11 compound treatment 1.079 0.049 1.42 1.107 0.0754 2.23 2.5801 0.9762 3019830 ChemDiv3_000033 CC(C)Cc1ccc(cc1)C(C)C(=O)NC(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B12 compound treatment 1.01 -0.02 -0.58 1.003 -0.0286 -0.85 -1.0072 -0.983 3117575 ChemDiv3_000034 COc1ccc(/C=C/2\CC/C(=C\c3ccc(C)cc3)/C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B13 compound treatment 1.018 -0.012 -0.35 1.018 -0.0136 -0.4 -0.5298 -0.9974 1119180 ChemDiv3_000035 CNC(=O)c1ccc(Oc2ccc(cc2)C(=O)NC)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B14 compound treatment 1.018 -0.012 -0.35 1.009 -0.0226 -0.67 -0.7179 -0.9537 1616129 ChemDiv3_000036 CC(=O)Nc1cccc(Oc2ccc3C(=O)N(C(=O)c3c2)c4ccc(Oc5ccc(C)c(C)c5)cc4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B15 compound treatment 1.005 -0.025 -0.72 1.0 -0.0316 -0.93 -1.1723 -0.9921 1336672 ChemDiv3_000037 O=C(Nc1cc(=O)c2ccccc2o1)OCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B16 compound treatment 1.005 -0.025 -0.72 1.008 -0.0236 -0.7 -1.0051 -0.9998 3117576 ChemDiv3_000038 CC[n+]1ccc(C)c2cc(ccc12)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B17 compound treatment 1.018 -0.012 -0.35 1.027 -0.00459 -0.14 -0.3416 -0.9158 3019831 ChemDiv3_000039 NNC(=S)NC1(CC2CC3CC(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B18 compound treatment 0.996 -0.034 -0.98 0.997 -0.0346 -1.02 -1.4193 -0.9998 1270265 ChemDiv3_000040 Clc1ccc(cc1)S(=O)(=O)n2cnc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B19 compound treatment 1.104 0.074 2.14 1.102 0.0704 2.08 2.9875 0.9999 3117577 ChemDiv3_000041 Cc1cc(nc2ccc3ccccc3c12)c4ccc5ccccc5n4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B20 compound treatment 1.03 0.0 0.0 1.022 -0.00959 -0.28 -0.2004 -0.7071 1591919 ChemDiv3_000042 CNc1ccc(cc1)S(=O)(=O)c2ccc(NC)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B21 compound treatment 1.022 -0.008 -0.23 1.024 -0.00759 -0.22 -0.3224 -0.9999 3117578 ChemDiv3_000043 O=C(C1=C(C(=O)c2ccccc2C1=O)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B22 compound treatment 1.021 -0.009 -0.26 1.014 -0.0176 -0.52 -0.552 -0.949 1583295 ChemDiv3_000044 Brc1ccc(OC(=O)c2cccnc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B23 mock treatment 1.013 -0.017 -0.49 1.019 -0.0126 -0.37 -0.6113 -0.9905 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 B24 mock treatment 1.134 0.104 3.01 1.694 0.662 19.59 15.9785 0.8064 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C01 compound treatment 1.044 0.014 0.41 1.041 0.00941 0.28 0.4835 0.9832 3019835 ChemDiv3_000045 Cc1ccn(CN2CCN(Cn3ccc(C)n3)C2=S)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C02 compound treatment 1.037 0.007 0.2 1.044 0.0124 0.37 0.4029 0.9608 1183514 ChemDiv3_000046 CC(=O)Oc1ccc(C(=O)c2ccccc2)c(OC(=O)C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C03 compound treatment 1.03 0.0 0.0 1.033 0.00141 0.04 0.0296 0.7071 1699403 ChemDiv3_000047 O=C(NC1(CCC(=O)O1)C(=O)OCc2ccccc2)OCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C04 compound treatment 1.037 0.007 0.2 1.044 0.0124 0.37 0.4029 0.9608 3019836 ChemDiv3_000048 COc1ccc(NC(=S)C)cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C05 compound treatment 1.026 -0.004 -0.12 1.029 -0.00259 -0.08 -0.136 -0.9797 3019837 ChemDiv3_000049 Clc1ccc(OC(=O)c2ccc(Br)cc2)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C06 compound treatment 1.018 -0.012 -0.35 1.024 -0.00759 -0.22 -0.4043 -0.9776 3117579 ChemDiv3_000050 CC(C)N(C(C)C)C(=O)C[n+]1ccc(/C=N/O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C07 compound treatment 1.037 0.007 0.2 1.034 0.00241 0.07 0.1938 0.9018 1112119 ChemDiv3_000051 CC(=O)Oc1ccc(cc1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C08 compound treatment 1.07 0.04 1.16 1.068 0.0364 1.08 1.5804 0.9993 1921020 ChemDiv3_000052 CC[n+]1cccc(c1)c2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C09 compound treatment 1.034 0.004 0.12 1.034 0.00241 0.07 0.1324 0.9729 1233273 ChemDiv3_000053 CCN1CCN(CC1)c2ccc(Nc3ccnc4cc5ccccc5cc34)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C10 compound treatment 1.019 -0.011 -0.32 1.023 -0.00859 -0.25 -0.4048 -0.9937 3019838 ChemDiv3_000054 NC(=O)N1CCc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C11 compound treatment 1.033 0.003 0.09 1.034 0.00241 0.07 0.1119 0.9952 1021994 ChemDiv3_000055 Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C12 compound treatment 1.066 0.036 1.04 1.075 0.0434 1.28 1.6448 0.9947 3019839 ChemDiv3_000056 CC(C)(C)OC(=O)C[n+]1cccc(c1)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C13 compound treatment 1.042 0.012 0.35 1.037 0.00541 0.16 0.3589 0.9381 3117584 ChemDiv3_000057 O=C1CN(C(=O)N1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C14 compound treatment 1.039 0.009 0.26 1.025 -0.00659 -0.19 0.0466 0.1433 3019840 ChemDiv3_000058 O/N=C/c1cc[n+](CC(=O)N2CCCCC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C15 compound treatment 0.913 -0.117 -3.39 0.784 -0.248 -7.32 -7.5721 -0.9387 1320550 ChemDiv3_000059 COC(=O)CCS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)CCC(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C16 compound treatment 1.003 -0.027 -0.78 1.0 -0.0316 -0.93 -1.2133 -0.9961 1778026 ChemDiv3_000060 OCc1c(CO)[n+]([O-])c2ccccc2[n+]1[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C17 compound treatment 1.005 -0.025 -0.72 1.008 -0.0236 -0.7 -1.0051 -0.9998 3019841 ChemDiv3_000061 Cc1ccc(cc1)C(=O)C2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C18 compound treatment 1.021 -0.009 -0.26 1.023 -0.00859 -0.25 -0.3638 -0.9999 1353751 ChemDiv3_000062 Clc1cccc(NCn2c(=O)oc3ccccc23)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C19 compound treatment 1.037 0.007 0.2 1.036 0.00441 0.13 0.2356 0.9773 1912422 ChemDiv3_000063 CCc1ccc(/N=C/c2c[nH]c3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C20 compound treatment 1.043 0.013 0.38 1.046 0.0144 0.43 0.5676 0.9981 1318161 ChemDiv3_000064 C(N1CCOCCN(Cc2ccccc2)CCOCC1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C21 compound treatment 1.028 -0.002 -0.06 1.02 -0.0116 -0.34 -0.2832 -0.8151 1038768 ChemDiv3_000065 CCN(CC)c1ccc2c(C)cc(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C22 compound treatment 1.043 0.013 0.38 1.046 0.0144 0.43 0.5676 0.9981 3019842 ChemDiv3_000066 O=C(Oc1ccc(cc1)c2ccccc2)c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C23 mock treatment 1.023 -0.007 -0.2 1.024 -0.00759 -0.22 -0.3019 -0.9987 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 C24 mock treatment 1.029 -0.001 -0.03 1.023 -0.00859 -0.25 -0.2 -0.7827 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D01 compound treatment 1.022 -0.008 -0.23 1.024 -0.00759 -0.22 -0.3224 -0.9999 3117585 ChemDiv3_000067 C(Sc1nnnn1c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D02 compound treatment 1.04 0.01 0.29 1.031 -5.86E-4 -0.02 0.1925 0.6636 3117586 ChemDiv3_000068 CC(C)(C)C(/C=C/c1ccc(Cl)cc1Cl)n2nnnc2C(C)(C)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D03 compound treatment 0.875 -0.155 -4.49 0.902 -0.13 -3.83 -5.8833 -0.9969 1053376 ChemDiv3_000069 OC(=O)C1C(C(C1c2ccccc2)C(=O)O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D04 compound treatment 1.044 0.014 0.41 1.05 0.0184 0.54 0.6717 0.9895 3117587 ChemDiv3_000070 O=C(/C=C/N1C(=O)c2ccccc2C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D05 compound treatment 1.016 -0.014 -0.41 1.022 -0.00959 -0.28 -0.4871 -0.9847 3019843 ChemDiv3_000071 c1cncc(c1)c2cccnc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D06 compound treatment 1.042 0.012 0.35 1.043 0.0114 0.34 0.4844 0.9999 1343691 ChemDiv3_000072 CCN(C)CC1(CC2CC3CC(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D07 compound treatment 1.038 0.008 0.23 1.043 0.0114 0.34 0.4024 0.9832 1187732 ChemDiv3_000073 COC(=O)NC1(CC2CC3CC(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D08 compound treatment 1.034 0.004 0.12 1.029 -0.00259 -0.08 0.0278 0.2006 1355186 ChemDiv3_000074 Nc1ccc(Sc2ccc3ccccc3c2Cl)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D09 compound treatment 1.11 0.08 2.32 1.093 0.0614 1.82 2.9222 0.9927 1016949 ChemDiv3_000075 NC(=N)NC(=N)NCc1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D10 compound treatment 1.036 0.006 0.17 1.024 -0.00759 -0.22 -0.0357 -0.1259 1392304 ChemDiv3_000076 Clc1ccc(cc1)c2nnc(o2)C3CCC(CC3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D11 compound treatment 1.039 0.009 0.26 1.034 0.00241 0.07 0.2348 0.8687 1388409 ChemDiv3_000077 S=c1sc2ccccc2n1CN3CCN(Cc4ccccc4)CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D12 compound treatment 1.039 0.009 0.26 1.029 -0.00259 -0.08 0.1302 0.4795 3117588 ChemDiv3_000078 COc1ccc(/C=C/2\CC/C(=C\c3ccc(Cl)cc3)/C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D13 compound treatment 1.052 0.022 0.64 1.044 0.0124 0.37 0.7101 0.9657 1025986 ChemDiv3_000079 Cc1ccccc1NC(=O)c2cc3ccccc3cc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D14 compound treatment 1.04 0.01 0.29 1.041 0.00941 0.28 0.4016 0.9998 1513086 ChemDiv3_000080 O=C(COc1ccc2ccccc2c1)NS(=O)(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D15 compound treatment 1.035 0.005 0.14 1.025 -0.00659 -0.19 -0.0353 -0.1455 1550944 ChemDiv3_000081 O=C(N1CC(CC1=O)c2ccccc2)c3cccnc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D16 compound treatment 1.031 0.001 0.03 1.03 -0.00159 -0.05 -0.0127 -0.2301 1432699 ChemDiv3_000082 CCOC(=O)c1cccc(n1)C(=O)Nc2nc3ccc(OC)cc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D17 compound treatment 1.042 0.012 0.35 1.041 0.00941 0.28 0.4425 0.9939 1601789 ChemDiv3_000083 Cc1ccc(NC(=O)CC2(CC3CC4CC(C3)C2)C4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D18 compound treatment 1.032 0.002 0.06 1.028 -0.00359 -0.11 -0.034 -0.2816 3019844 ChemDiv3_000084 CC(C)OC(=O)n1c(=S)oc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D19 compound treatment 1.026 -0.004 -0.12 1.039 0.00741 0.22 0.0731 0.2948 1581559 ChemDiv3_000085 O=C(Oc1ccc(OC(=O)c2ccccc2)cc1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D20 compound treatment 1.047 0.017 0.49 1.043 0.0114 0.34 0.5868 0.983 3117589 ChemDiv3_000086 O=S(=O)(/C=C/c1ccccc1)N2C=Cc3ccccc3C2c4c[nH]c5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D21 compound treatment 1.043 0.013 0.38 1.039 0.00741 0.22 0.4212 0.9669 1529969 ChemDiv3_000087 Nc1nnc(s1)C(=O)c2ccccc2N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D22 compound treatment 1.283 0.253 7.33 1.27 0.238 7.05 10.1654 0.9998 1119404 ChemDiv3_000088 CCCC1CCC(CC1)c2ccc(OC(=O)c3cccnc3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D23 mock treatment 1.042 0.012 0.35 1.047 0.0154 0.46 0.568 0.991 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 D24 mock treatment 1.066 0.036 1.04 1.051 0.0194 0.57 1.1431 0.9605 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E01 compound treatment 1.039 0.009 0.26 1.035 0.00341 0.1 0.2557 0.9147 3019845 ChemDiv3_000089 C1OC(OCC2OC(OC12)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E02 compound treatment 1.042 0.012 0.35 1.049 0.0174 0.51 0.6098 0.9817 1616713 ChemDiv3_000090 CCCOc1ccc(N)cc1N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E03 compound treatment 1.263 0.233 6.75 1.231 0.199 5.9 8.9405 0.9977 3117590 ChemDiv3_000091 COc1ccc(cc1OC)C(=O)CN2Cc3ccccc3C2=N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E04 compound treatment 1.016 -0.014 -0.41 1.02 -0.0116 -0.34 -0.5289 -0.9965 3019846 ChemDiv3_000092 COc1ccc(NC(=O)C)cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E05 compound treatment 1.047 0.017 0.49 1.047 0.0154 0.46 0.6704 0.9993 3019847 ChemDiv3_000093 Nc1nc(cc[n+]1[O-])c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E06 compound treatment 1.037 0.007 0.2 1.04 0.00841 0.25 0.3193 0.9948 3117591 ChemDiv3_000094 O/N=C/c1cc[n+](CC(=O)NC2CCCCC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E07 compound treatment 1.111 0.081 2.35 1.081 0.0494 1.46 2.6918 0.974 1701731 ChemDiv3_000095 CCc1ccc(cc1)C(=O)Oc2ccc(C#N)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E08 compound treatment 1.05 0.02 0.58 1.047 0.0154 0.46 0.7318 0.993 1069596 ChemDiv3_000096 COC(=O)N1C(C=Cc2ccccc12)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E09 compound treatment 1.089 0.059 1.71 1.064 0.0324 0.96 1.8859 0.9626 3019848 ChemDiv3_000097 N/N=C/c1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E10 compound treatment 1.039 0.009 0.26 1.04 0.00841 0.25 0.3602 0.9997 3117592 ChemDiv3_000098 CN1CCN(CC1)C(=O)/C=C(/C)\C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E11 compound treatment 1.042 0.012 0.35 1.034 0.00241 0.07 0.2962 0.8349 1026004 ChemDiv3_000099 COc1ccc2ccccc2c1c3c(OC)ccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E12 compound treatment 1.044 0.014 0.41 1.044 0.0124 0.37 0.5462 0.9988 3019849 ChemDiv3_000100 CC(C)(C)C(=O)C[n+]1cccc(c1)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E13 compound treatment 1.042 0.012 0.35 1.038 0.00641 0.19 0.3798 0.9594 1049039 ChemDiv3_000101 CC(=O)N(Nc1ccccc1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E14 compound treatment 1.039 0.009 0.26 1.028 -0.00359 -0.11 0.1093 0.3885 3117593 ChemDiv3_000102 O/N=C/c1ccc[n+](CC(=O)NC2(CC3CC4CC(C3)C2)C4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E15 compound treatment 1.038 0.008 0.23 1.043 0.0114 0.34 0.4024 0.9832 3019850 ChemDiv3_000103 CSc1ccc(cc1)c2ccc(SC)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E16 compound treatment 1.043 0.013 0.38 1.048 0.0164 0.49 0.6094 0.9921 3019851 ChemDiv3_000104 Nc1ccc(cc1)S(=O)(=O)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E17 compound treatment 1.027 -0.003 -0.09 1.034 0.00241 0.07 -0.011 -0.0976 1913805 ChemDiv3_000105 CC(C)(C)OC(=O)Nc1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E18 compound treatment 1.042 0.012 0.35 1.042 0.0104 0.31 0.4635 0.9982 1334112 ChemDiv3_000106 Cc1ccc(NCn2c(=O)oc3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E19 compound treatment 1.051 0.021 0.61 1.051 0.0194 0.57 0.8359 0.9996 1464160 ChemDiv3_000107 OCCNC(=O)c1cc2ccccc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E20 compound treatment 1.037 0.007 0.2 1.046 0.0144 0.43 0.4447 0.9423 1484925 ChemDiv3_000108 CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E21 compound treatment 1.033 0.003 0.09 1.04 0.00841 0.25 0.2373 0.9007 3117594 ChemDiv3_000109 [O-][S+]1NN([S+]([O-])NN1c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E22 compound treatment 1.029 -0.001 -0.03 1.04 0.00841 0.25 0.1554 0.6206 1033254 ChemDiv3_000110 COc1cc(NCCCC(C)N)c2ncccc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E23 mock treatment 1.028 -0.002 -0.06 1.03 -0.00159 -0.05 -0.0741 -0.9945 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 E24 mock treatment 1.032 0.002 0.06 1.037 0.00541 0.16 0.1541 0.9055 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F01 compound treatment 1.036 0.006 0.17 1.044 0.0124 0.37 0.3824 0.9417 1915982 ChemDiv3_000111 O=C1NC(=O)/C(=C/c2ccccc2)/C(=O)N1Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F02 compound treatment 1.043 0.013 0.38 1.043 0.0114 0.34 0.5048 0.9985 1272580 ChemDiv3_000112 CC(=C)CN1c2ccccc2Sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F03 compound treatment 1.042 0.012 0.35 1.049 0.0174 0.51 0.6098 0.9817 1220799 ChemDiv3_000113 Cc1ccc(Nc2ccc3noc4-c5ccccc5C(=O)c2c43)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F04 compound treatment 1.04 0.01 0.29 1.038 0.00641 0.19 0.3389 0.9789 1191611 ChemDiv3_000114 O=c1oc2ccccc2c(Nc3ccccc3)c1CN4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F05 compound treatment 1.023 -0.007 -0.2 1.026 -0.00559 -0.17 -0.2601 -0.9948 1052238 ChemDiv3_000115 COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F06 compound treatment 1.046 0.016 0.46 1.053 0.0214 0.63 0.7753 0.9882 1363766 ChemDiv3_000116 Cc1cccc(c1)N(CC(=O)O)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F07 compound treatment 1.045 0.015 0.43 1.051 0.0194 0.57 0.713 0.9906 1561715 ChemDiv3_000117 O=C(Nc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4)c5cccs5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F08 compound treatment 1.046 0.016 0.46 1.044 0.0124 0.37 0.5872 0.9933 1160251 ChemDiv3_000118 CCCC1CCC(CC1)c2ccc(OC(=O)c3ccco3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F09 compound treatment 1.043 0.013 0.38 1.047 0.0154 0.46 0.5885 0.9955 1185575 ChemDiv3_000119 Cc1cc(F)ccc1S(=O)(=O)NCC2CC3CCC2C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F10 compound treatment 1.047 0.017 0.49 1.048 0.0164 0.49 0.6913 1.0 1298807 ChemDiv3_000120 OCC(O)C1OC(Nc2ccc(Cl)cc2)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F11 compound treatment 1.078 0.048 1.39 1.095 0.0634 1.87 2.3087 0.9892 1454827 ChemDiv3_000121 CC(C)(c1ccccc1)c2cc(CN3CCOCC3)c(O)c(CN4CCOCC4)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F12 compound treatment 1.023 -0.007 -0.2 1.014 -0.0176 -0.52 -0.511 -0.9157 1403981 ChemDiv3_000122 COc1ccc2oc(=O)c(cc2c1)c3cnc(C)s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F13 compound treatment 1.046 0.016 0.46 1.044 0.0124 0.37 0.5872 0.9933 3117595 ChemDiv3_000123 O/N=C(\C(=O)c1ccccc1Cl)/n2cncn2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F14 compound treatment 1.045 0.015 0.43 1.044 0.0124 0.37 0.5667 0.9965 3117598 ChemDiv3_000124 CC1(C)COP(=S)(OC1)C(Nc2ccc(Cl)cc2)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F15 compound treatment 1.06 0.03 0.87 1.042 0.0104 0.31 0.8321 0.9027 1605115 ChemDiv3_000125 Oc1ccccc1c2nsnc2C(=O)N3CCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F16 compound treatment 1.034 0.004 0.12 1.028 -0.00359 -0.11 0.0069 0.0442 1419832 ChemDiv3_000126 O=C(Oc1ccc(cc1)S(=O)(=O)c2ccc(OC(=O)c3cccs3)cc2)c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F17 compound treatment 1.044 0.014 0.41 1.041 0.00941 0.28 0.4835 0.9832 1721700 ChemDiv3_000127 COc1cccc(c1)C2(CCCC2)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F18 compound treatment 1.018 -0.012 -0.35 1.012 -0.0196 -0.58 -0.6552 -0.9702 1321397 ChemDiv3_000128 Nc1ncn(CC(O)CO)c2nc(Br)nc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F19 compound treatment 1.062 0.032 0.93 1.067 0.0354 1.05 1.3957 0.9981 3019915 ChemDiv3_000129 COc1ccc(cc1)C(=O)C[n+]2ccc3n(C)nnc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F20 compound treatment 1.041 0.011 0.32 1.048 0.0164 0.49 0.5684 0.9792 1406847 ChemDiv3_000130 CCCC1CCC(CC1)c2ccc(OC(=O)c3cccs3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F21 compound treatment 1.035 0.005 0.14 1.047 0.0154 0.46 0.4246 0.888 1504493 ChemDiv3_000131 CC(=O)N1C(NC(=S)N)C(=O)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F22 compound treatment 1.036 0.006 0.17 1.038 0.00641 0.19 0.257 0.999 1667131 ChemDiv3_000132 CCOc1ccc(OC(=O)c2cccnc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F23 mock treatment 1.036 0.006 0.17 1.047 0.0154 0.46 0.4451 0.9126 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 F24 mock treatment 1.041 0.011 0.32 1.048 0.0164 0.49 0.5684 0.9792 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G01 compound treatment 1.037 0.007 0.2 1.035 0.00341 0.1 0.2147 0.9481 1210291 ChemDiv3_000133 CN(C)CCOC(=O)c1ccc2[nH]c3CCSCc3c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G02 compound treatment 1.027 -0.003 -0.09 1.033 0.00141 0.04 -0.0319 -0.3306 1432983 ChemDiv3_000134 O=C(CC1(CC2CC3CC(C2)C1)C3)N4CCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G03 compound treatment 1.029 -0.001 -0.03 1.03 -0.00159 -0.05 -0.0536 -0.9732 3019916 ChemDiv3_000135 CC(Cc1ccccc1)[n+]2cc(N)on2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G04 compound treatment 1.031 0.001 0.03 1.044 0.0124 0.37 0.28 0.7605 1091968 ChemDiv3_000136 Nc1ccc(Br)cc1C(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G05 compound treatment 1.038 0.008 0.23 1.045 0.0134 0.4 0.4443 0.9672 1446265 ChemDiv3_000137 CC(=O)Oc1ccc2ccc3ccc(OC(=O)C)c4ccc1c2c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G06 compound treatment 1.032 0.002 0.06 1.039 0.00741 0.22 0.196 0.8643 3019918 ChemDiv3_000138 O/N=C/c1ccc[n+](CC(=O)NCc2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G07 compound treatment 1.035 0.005 0.14 1.048 0.0164 0.49 0.4455 0.8798 3117599 ChemDiv3_000139 CC1CCC/C(=C/c2ccc(Cl)cc2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G08 compound treatment 1.082 0.052 1.51 1.072 0.0404 1.19 1.9098 0.9934 1662647 ChemDiv3_000140 CCOC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G09 compound treatment 1.029 -0.001 -0.03 1.03 -0.00159 -0.05 -0.0536 -0.9732 1320817 ChemDiv3_000141 CCN(CC)C(=O)N1CCN(CCC#N)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G10 compound treatment 1.026 -0.004 -0.12 1.023 -0.00859 -0.25 -0.2614 -0.9368 1913999 ChemDiv3_000142 CC(Cc1c[nH]c2ccccc12)NC(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G11 compound treatment 1.052 0.022 0.64 1.036 0.00441 0.13 0.5428 0.8346 3117600 ChemDiv3_000143 S=c1nc(oc2CCCCc21)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G12 compound treatment 1.019 -0.011 -0.32 1.034 0.00241 0.07 -0.1748 -0.5354 3019921 ChemDiv3_000144 CC(C)(C)C(=O)C[n+]1ccc(cc1)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G13 compound treatment 1.001 -0.029 -0.84 1.003 -0.0286 -0.85 -1.1915 -1.0 1032623 ChemDiv3_000145 O=C(N(Nc1ccccc1)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G14 compound treatment 1.13 0.1 2.9 1.115 0.0834 2.47 3.7917 0.9968 3117601 ChemDiv3_000146 OC(=O)c1ccc(NC(=O)C[n+]2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G15 compound treatment 1.051 0.021 0.61 1.041 0.00941 0.28 0.6269 0.9372 3117602 ChemDiv3_000147 CSc1ccc(Sc2ccc(SC)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G16 compound treatment 1.034 0.004 0.12 1.041 0.00941 0.28 0.2787 0.9245 1075919 ChemDiv3_000148 Clc1ccc(OCC(=O)NCCc2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G17 compound treatment 1.015 -0.015 -0.43 1.032 4.14E-4 0.01 -0.2985 -0.6869 1146554 ChemDiv3_000149 OCC1(C(=O)c2ccccc2C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G18 compound treatment 1.035 0.005 0.14 1.04 0.00841 0.25 0.2783 0.9668 1723737 ChemDiv3_000150 NC(=S)c1cc2ccccc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G19 compound treatment 1.036 0.006 0.17 1.044 0.0124 0.37 0.3824 0.9417 1601550 ChemDiv3_000151 COc1ccc(C2C(=O)c3ccccc3C2=O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G20 compound treatment 1.039 0.009 0.26 1.04 0.00841 0.25 0.3602 0.9997 1302822 ChemDiv3_000152 Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G21 compound treatment 1.04 0.01 0.29 1.037 0.00541 0.16 0.318 0.9609 3019795 ChemDiv3_000153 S=C1NN=C(C(N1)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G22 compound treatment 1.117 0.087 2.52 1.099 0.0674 1.99 3.191 0.9933 1416806 ChemDiv3_000154 Nc1ccc(cc1)C(=O)Nc2ccc(cc2N)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G23 mock treatment 1.022 -0.008 -0.23 1.017 -0.0146 -0.43 -0.4688 -0.9576 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 G24 mock treatment 1.049 0.019 0.55 1.049 0.0174 0.51 0.7531 0.9994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H01 compound treatment 1.042 0.012 0.35 1.037 0.00541 0.16 0.3589 0.9381 1123126 ChemDiv3_000155 C(CN1CCOCC1)Sc2nc3ccccc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H02 compound treatment 1.041 0.011 0.32 1.048 0.0164 0.49 0.5684 0.9792 3019817 ChemDiv3_000156 CCOC(=O)c1c(C)c(C)sc1/N=C/c2ccc(cc2)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H03 compound treatment 1.032 0.002 0.06 1.048 0.0164 0.49 0.3841 0.7859 3117603 ChemDiv3_000157 CCOC(=O)c1c(C)c(C)sc1/N=C/c2ccccc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H04 compound treatment 1.041 0.011 0.32 1.049 0.0174 0.51 0.5893 0.9734 3019818 ChemDiv3_000158 COc1ccc(cc1)N(C(=O)/C=C/c2ccc(OC)c(OC)c2)C3=CC4CCC(C3)N4C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H05 compound treatment 1.035 0.005 0.14 1.04 0.00841 0.25 0.2783 0.9668 1020750 ChemDiv3_000159 NC(=O)c1ccc[n+](CC(=O)c2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H06 compound treatment 1.04 0.01 0.29 1.041 0.00941 0.28 0.4016 0.9998 1221336 ChemDiv3_000160 Cc1ccc(OC(=O)c2ccccc2)c(c1)n3nc4ccccc4n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H07 compound treatment 1.054 0.024 0.7 1.058 0.0264 0.78 1.0437 0.9983 1171342 ChemDiv3_000161 COC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H08 compound treatment 1.05 0.02 0.58 1.05 0.0184 0.54 0.7945 0.9995 1054931 ChemDiv3_000162 O=C(Oc1ccc(cc1)c2ccccc2)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H09 compound treatment 1.013 -0.017 -0.49 1.019 -0.0126 -0.37 -0.6113 -0.9905 1080023 ChemDiv3_000163 O=C1C2C3CC(C=C3)C2C(=O)N1c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H10 compound treatment 1.013 -0.017 -0.49 1.021 -0.0106 -0.31 -0.5695 -0.9761 1270809 ChemDiv3_000164 Cc1ccccc1C(=O)N2N=C(CC2c3nc4ccccc4[nH]3)c5ccc(Br)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H11 compound treatment 1.031 0.001 0.03 1.033 0.00141 0.04 0.05 0.9839 1111851 ChemDiv3_000165 OCc1nc2cc3ccccc3cc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H12 compound treatment 1.037 0.007 0.2 1.042 0.0104 0.31 0.3611 0.9794 3117604 ChemDiv3_000166 O=C1N(C(=O)c2cc(ccc12)c3ncc(o3)c4ccccc4)c5ncn[nH]5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H13 compound treatment 1.044 0.014 0.41 1.05 0.0184 0.54 0.6717 0.9895 3019820 ChemDiv3_000167 Oc1ccccc1/C=N/n2c3ccccc3c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H14 compound treatment 1.031 0.001 0.03 1.034 0.00241 0.07 0.0709 0.9211 3117605 ChemDiv3_000168 C/N=C(\C)/c1c(O)c2ccccc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H15 compound treatment 1.038 0.008 0.23 1.033 0.00141 0.04 0.1934 0.8214 1279829 ChemDiv3_000169 Oc1ccccc1C2CCCCC2c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H16 compound treatment 1.035 0.005 0.14 1.048 0.0164 0.49 0.4455 0.8798 1311336 ChemDiv3_000170 Nc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc3cccc(N)c3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H17 compound treatment 1.039 0.009 0.26 1.038 0.00641 0.19 0.3184 0.9878 1341633 ChemDiv3_000171 Cc1cc(C)c2ccc(NN)nc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H18 compound treatment 1.025 -0.005 -0.14 1.023 -0.00859 -0.25 -0.2819 -0.9646 3117606 ChemDiv3_000172 CC(=O)Nc1c(C)nn(c1O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H19 compound treatment 1.013 -0.017 -0.49 1.026 -0.00559 -0.17 -0.4649 -0.8953 3019822 ChemDiv3_000173 COc1ccc2nc(C)cc(S)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H20 compound treatment 1.028 -0.002 -0.06 1.029 -0.00259 -0.08 -0.095 -0.9906 1016095 ChemDiv3_000174 COC(=O)c1cccc(n1)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H21 compound treatment 1.03 0.0 0.0 1.022 -0.00959 -0.28 -0.2004 -0.7071 1229822 ChemDiv3_000175 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc2ccc(I)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H22 compound treatment 1.046 0.016 0.46 1.045 0.0134 0.4 0.6081 0.997 1484239 ChemDiv3_000176 CC(C)OC(=O)c1cccc(n1)C(=O)Nc2ccc(NC(=O)C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H23 mock treatment 1.031 0.001 0.03 1.033 0.00141 0.04 0.05 0.9839 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 H24 mock treatment 1.037 0.007 0.2 1.034 0.00241 0.07 0.1938 0.9018 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I01 compound treatment 1.033 0.003 0.09 1.033 0.00141 0.04 0.091 0.9438 1528297 ChemDiv3_000177 CCN(CC)C(=O)COc1ccc(C)nc1CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I02 compound treatment 1.019 -0.011 -0.32 1.017 -0.0146 -0.43 -0.5302 -0.9889 1726229 ChemDiv3_000178 O=C(NC1CCCCC1)NC2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I03 compound treatment 1.036 0.006 0.17 1.024 -0.00759 -0.22 -0.0357 -0.1259 1695838 ChemDiv3_000179 OC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I04 compound treatment 1.01 -0.02 -0.58 1.013 -0.0186 -0.55 -0.7981 -0.9997 1706757 ChemDiv3_000180 CCCN(CCC)C(=O)Cn1ccc(=N)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I05 compound treatment 1.021 -0.009 -0.26 1.024 -0.00759 -0.22 -0.3429 -0.9972 3019863 ChemDiv3_000181 OC(=O)c1ccc(cc1)c2ccc(Br)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I06 compound treatment 1.134 0.104 3.01 1.098 0.0664 1.96 3.5182 0.9785 3117607 ChemDiv3_000182 C[N+](C)(CCOc1ccccc1)Cc2ccccc2.OC(=O)c1cc2ccccc2c(Br)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I07 compound treatment 1.012 -0.018 -0.52 1.016 -0.0156 -0.46 -0.6945 -0.9981 1103446 ChemDiv3_000183 OC(=O)C(Cc1ccccc1)NC=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I08 compound treatment 1.074 0.044 1.27 1.061 0.0294 0.87 1.516 0.9827 3019864 ChemDiv3_000184 NC(=S)/N=C/1\CCCCC1=C2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I09 compound treatment 1.02 -0.01 -0.29 1.022 -0.00959 -0.28 -0.4052 -0.9999 3117608 ChemDiv3_000185 Clc1ccc(cc1)S(=O)(=O)/N=C/2\SCCN2S(=O)(=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I10 compound treatment 1.012 -0.018 -0.52 1.02 -0.0116 -0.34 -0.6108 -0.9793 3019865 ChemDiv3_000186 NC(=O)c1ccc[n+](CC(=O)N(CC=C)CC=C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I11 compound treatment 1.031 0.001 0.03 1.031 -5.86E-4 -0.02 0.0082 0.2436 1008424 ChemDiv3_000187 Nc1ccc(Sc2ccc(N)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I12 compound treatment 1.077 0.047 1.36 1.108 0.0764 2.26 2.56 0.9706 3117609 ChemDiv3_000188 CC(C)(C)OC(=O)C[n+]1ccc(cc1)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I13 compound treatment 1.03 0.0 0.0 1.021 -0.0106 -0.31 -0.2213 -0.7071 1590292 ChemDiv3_000189 Cc1ccc(cc1)C(=O)Oc2cc(C)cc(OC(=O)c3ccc(C)cc3)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I14 compound treatment 1.008 -0.022 -0.64 1.009 -0.0226 -0.67 -0.9227 -0.9997 3019866 ChemDiv3_000190 Brc1ccc2[n+](C/C=C/c3ccccc3)cccc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I15 compound treatment 1.011 -0.019 -0.55 1.01 -0.0216 -0.64 -0.8404 -0.9973 2121292 ChemDiv3_000191 Clc1ccc(cc1Cl)S(=O)(=O)Cc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I16 compound treatment 1.025 -0.005 -0.14 1.025 -0.00659 -0.19 -0.2401 -0.9894 1483300 ChemDiv3_000192 COc1ccc(Cl)c(NCCC(=O)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I17 compound treatment 1.028 -0.002 -0.06 1.031 -5.86E-4 -0.02 -0.0532 -0.8801 1243544 ChemDiv3_000193 CCOc1ccc(cc1OC)C2(CC(=O)Nc3ccccc3)C(=O)c4ccccc4C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I18 compound treatment 1.026 -0.004 -0.12 1.029 -0.00259 -0.08 -0.136 -0.9797 1632789 ChemDiv3_000194 O=C(Nc1cccc2ccccc12)c3cc4ccccc4oc3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I19 compound treatment 1.023 -0.007 -0.2 1.028 -0.00359 -0.11 -0.2183 -0.9543 1020326 ChemDiv3_000195 CCOC(=O)C1=C(O)c2ccccc2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I20 compound treatment 1.019 -0.011 -0.32 1.025 -0.00659 -0.19 -0.363 -0.9721 1160580 ChemDiv3_000196 OC(=O)C(Cc1cnc[nH]1)N2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I21 compound treatment 1.077 0.047 1.36 1.072 0.0404 1.19 1.8074 0.9979 1223725 ChemDiv3_000197 OC(=O)CC1(CC2CC3C1)CC(CC(=O)O)(C2)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I22 compound treatment 1.031 0.001 0.03 1.043 0.0114 0.34 0.2591 0.765 3019868 ChemDiv3_000198 OC(=O)c1ccc(C(=O)O)c(c1)c2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I23 mock treatment 1.299 0.269 7.79 1.338 0.306 9.06 11.9147 0.9972 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 I24 mock treatment 1.03 0.0 0.0 1.028 -0.00359 -0.11 -0.075 -0.7071 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J01 compound treatment 1.008 -0.022 -0.64 1.01 -0.0216 -0.64 -0.9018 -1.0 3117610 ChemDiv3_000199 N/N=C(\C(=O)O)/c1ccccc1N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J02 compound treatment 1.018 -0.012 -0.35 1.02 -0.0116 -0.34 -0.488 -1.0 3019869 ChemDiv3_000200 O=C(C[n+]1ccc(C#N)cc1)c2ccc(NC(=O)c3ccccc3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J03 compound treatment 1.019 -0.011 -0.32 1.022 -0.00959 -0.28 -0.4257 -0.9983 3117612 ChemDiv3_000201 O=C(/C=C/c1c[nH]c2ccccc12)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J04 compound treatment 1.019 -0.011 -0.32 1.023 -0.00859 -0.25 -0.4048 -0.9937 1170304 ChemDiv3_000202 OC(=O)CCNc1cc(Cl)ccc1Oc2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J05 compound treatment 1.005 -0.025 -0.72 1.006 -0.0256 -0.76 -1.0469 -0.9998 3019870 ChemDiv3_000203 O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J06 compound treatment 1.032 0.002 0.06 1.034 0.00241 0.07 0.0914 0.9946 1618034 ChemDiv3_000204 COc1ccc(cc1)N2C(=O)C3CC=CC(C)C3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J07 compound treatment 1.086 0.056 1.62 1.09 0.0584 1.73 2.368 0.9995 3117613 ChemDiv3_000205 CCn1c(C)[n+](CC)c2cc(ccc12)S(=O)(=O)NC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J08 compound treatment 1.04 0.01 0.29 1.051 0.0194 0.57 0.6107 0.9498 1082227 ChemDiv3_000206 C(CSc1nc2ccccc2[nH]1)Sc3nc4ccccc4[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J09 compound treatment 1.006 -0.024 -0.7 1.021 -0.0106 -0.31 -0.7128 -0.9351 3019871 ChemDiv3_000207 Cc1ccc(cc1C)C(=O)c2ccc(C)c(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J10 compound treatment 1.022 -0.008 -0.23 1.023 -0.00859 -0.25 -0.3433 -0.999 1921766 ChemDiv3_000208 CC(/N=C/c1ccccc1O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J11 compound treatment 1.012 -0.018 -0.52 1.035 0.00341 0.1 -0.2972 -0.5598 1340958 ChemDiv3_000209 CCN(CC)CCSc1nnc2c3ccccc3n(CC(=O)N)c2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J12 compound treatment 1.015 -0.015 -0.43 1.041 0.00941 0.28 -0.1104 -0.2139 1421356 ChemDiv3_000210 O=C(Nc1nc(cs1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J13 compound treatment 1.024 -0.006 -0.17 1.04 0.00841 0.25 0.053 0.1748 3019898 ChemDiv3_000211 Oc1ccccc1/C=N/c2cccc(\N=C\c3ccccc3O)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J14 compound treatment 1.051 0.021 0.61 1.051 0.0194 0.57 0.8359 0.9996 3117614 ChemDiv3_000212 Clc1ccc2[nH]c(=O)nc(c3ccccc3)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J15 compound treatment 1.01 -0.02 -0.58 1.031 -5.86E-4 -0.02 -0.4218 -0.7279 1122932 ChemDiv3_000213 Oc1cc(cc(c1)C2CCCCC2)C3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J16 compound treatment 1.013 -0.017 -0.49 1.028 -0.00359 -0.11 -0.4231 -0.8401 3117615 ChemDiv3_000214 CC(=O)NC1=NN(C(=O)C)C(C)(CS(=O)(=O)c2ccc(C)cc2)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J17 compound treatment 1.052 0.022 0.64 1.052 0.0204 0.6 0.8773 0.9996 1730515 ChemDiv3_000215 CNc1ccc2cccc(Oc3ccc4cccc(O)c4n3)c2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J18 compound treatment 1.041 0.011 0.32 1.046 0.0144 0.43 0.5266 0.9897 1591676 ChemDiv3_000216 Nc1cccc(NC(=O)CCC(=O)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J19 compound treatment 1.026 -0.004 -0.12 1.029 -0.00259 -0.08 -0.136 -0.9797 3117616 ChemDiv3_000217 CC1(C)CC(CC(C)(C)N1)/N=C/c2ccco2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J20 compound treatment 1.034 0.004 0.12 1.038 0.00641 0.19 0.216 0.972 1528923 ChemDiv3_000218 CC(C)OC(=O)c1cccc(n1)C(=O)OC(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J21 compound treatment 1.045 0.015 0.43 1.047 0.0154 0.46 0.6294 0.9997 1320476 ChemDiv3_000219 OC(=O)CC(N1C(=O)c2ccccc2C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J22 compound treatment 1.011 -0.019 -0.55 1.022 -0.00959 -0.28 -0.5895 -0.9524 1009844 ChemDiv3_000220 Nc1cc(ccc1O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J23 mock treatment 1.019 -0.011 -0.32 1.029 -0.00259 -0.08 -0.2793 -0.8526 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 J24 mock treatment 1.03 0.0 0.0 1.052 0.0204 0.6 0.4268 0.7071 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K01 compound treatment 1.028 -0.002 -0.06 1.026 -0.00559 -0.17 -0.1577 -0.9013 1273679 ChemDiv3_000221 CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K02 compound treatment 1.028 -0.002 -0.06 1.033 0.00141 0.04 -0.0114 -0.1596 1202625 ChemDiv3_000222 OCCC1(CC2CC3CC(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K03 compound treatment 1.026 -0.004 -0.12 1.027 -0.00459 -0.14 -0.1778 -0.9969 1450413 ChemDiv3_000223 CS(=O)(=O)CS(=O)(=O)C1=C(C2CCN1CC2)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K04 compound treatment 1.014 -0.016 -0.46 1.02 -0.0116 -0.34 -0.5699 -0.989 1353143 ChemDiv3_000224 CC(C)N(C(C)C)C(=O)Cn1ccc(=N)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K05 compound treatment 1.033 0.003 0.09 1.022 -0.00959 -0.28 -0.139 -0.4688 3117617 ChemDiv3_000225 CCCCc1ccc(CC(=O)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K06 compound treatment 1.03 0.0 0.0 1.028 -0.00359 -0.11 -0.075 -0.7071 3019901 ChemDiv3_000226 CC[n+]1cccc(c1)c2nc3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K07 compound treatment 1.033 0.003 0.09 1.034 0.00241 0.07 0.1119 0.9952 1058991 ChemDiv3_000227 CCc1ccc(CC(=S)N2CCOCC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K08 compound treatment 1.018 -0.012 -0.35 1.029 -0.00259 -0.08 -0.2998 -0.8425 1049850 ChemDiv3_000228 C(N1CCN(CC1)c2ccccc2)N3CCN(CC3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K09 compound treatment 1.041 0.011 0.32 1.035 0.00341 0.1 0.2966 0.8877 1529951 ChemDiv3_000229 COc1ccc2N(C)C(=O)C(C)(CC#N)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K10 compound treatment 1.015 -0.015 -0.43 1.029 -0.00259 -0.08 -0.3612 -0.819 3117618 ChemDiv3_000230 NC(=O)c1cc[n+](CC(=O)N(CC=C)CC=C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K11 compound treatment 1.014 -0.016 -0.46 1.017 -0.0146 -0.43 -0.6326 -0.9994 1049796 ChemDiv3_000231 C[n+]1ccc(cc1)c2cc[n+](C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K12 compound treatment 1.04 0.01 0.29 1.048 0.0164 0.49 0.5479 0.9696 3117619 ChemDiv3_000232 O/N=C/c1ccc[n+](C/C=C/c2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K13 compound treatment 1.096 0.066 1.91 1.079 0.0474 1.4 2.3428 0.9884 1377603 ChemDiv3_000233 Cc1cccc(NC(=O)c2cccc(c2)C(=O)Nc3cccc(C)c3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K14 compound treatment 1.025 -0.005 -0.14 1.019 -0.0126 -0.37 -0.3655 -0.9154 3117620 ChemDiv3_000234 NC(=O)NC(=O)C[n+]1ccc(/C=N/O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K15 compound treatment 1.037 0.007 0.2 1.036 0.00441 0.13 0.2356 0.9773 1086380 ChemDiv3_000235 Brc1ccc(cc1)S(=O)(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K16 compound treatment 1.003 -0.027 -0.78 1.007 -0.0246 -0.73 -1.0669 -0.9993 3117621 ChemDiv3_000236 OC(=O)CN(CCc1ccccc1)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K17 compound treatment 1.049 0.019 0.55 1.054 0.0224 0.66 0.8577 0.9957 1677145 ChemDiv3_000237 O=C1C(C(C2C(=O)c3ccccc3C2=O)c4ccccc4)C(=O)c5ccccc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K18 compound treatment 1.032 0.002 0.06 1.032 4.14E-4 0.01 0.0496 0.838 1190677 ChemDiv3_000238 CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=N)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K19 compound treatment 1.037 0.007 0.2 1.032 4.14E-4 0.01 0.152 0.7484 3019902 ChemDiv3_000239 CCC(=O)c1ccc2cc(OC)ccc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K20 compound treatment 1.035 0.005 0.14 1.043 0.0114 0.34 0.341 0.9286 1231229 ChemDiv3_000240 CCCCC(N1C(=O)c2ccccc2C1=O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K21 compound treatment 1.06 0.03 0.87 1.049 0.0174 0.51 0.9784 0.9688 1111942 ChemDiv3_000241 CN(C)CCC(=O)c1ccc(Br)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K22 compound treatment 1.034 0.004 0.12 1.037 0.00541 0.16 0.1951 0.9874 3019922 ChemDiv3_000242 Cc1cc(NC(=O)c2ccc(N)cc2)c(N)cc1N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K23 mock treatment 1.026 -0.004 -0.12 1.016 -0.0156 -0.46 -0.4078 -0.8582 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 K24 mock treatment 1.013 -0.017 -0.49 1.023 -0.00859 -0.25 -0.5276 -0.9525 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L01 compound treatment 1.023 -0.007 -0.2 1.033 0.00141 0.04 -0.1138 -0.5497 3117622 ChemDiv3_000243 CC(=O)Nc1ccc(NC(=O)/C=N/O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L02 compound treatment 1.02 -0.01 -0.29 1.017 -0.0146 -0.43 -0.5097 -0.9812 3117623 ChemDiv3_000244 O=C(C[n+]1cccc(c1)C(=O)Nc2ccccc2)c3ccc(cc3)N4C(=O)c5ccccc5C4=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L03 compound treatment 1.044 0.014 0.41 1.062 0.0304 0.9 0.9225 0.9353 3019923 ChemDiv3_000245 CC1(C)CC(CC(C)(C)N1)NC(=O)/C=C/C(=O)NC2CC(C)(C)NC(C)(C)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L04 compound treatment 1.043 0.013 0.38 1.052 0.0204 0.6 0.693 0.9742 1260714 ChemDiv3_000246 CC(C)(C)c1ccc(O)c(CN2CCN(CC2)c3ccccc3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L05 compound treatment 1.025 -0.005 -0.14 1.023 -0.00859 -0.25 -0.2819 -0.9646 3019924 ChemDiv3_000247 CC(C)N1C(=O)N(C(=CC1(C)C)C)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L06 compound treatment 1.053 0.023 0.67 1.039 0.00741 0.22 0.626 0.8927 1635573 ChemDiv3_000248 COc1ccc(cc1CN2CCOCC2)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L07 compound treatment 1.034 0.004 0.12 1.038 0.00641 0.19 0.216 0.972 1417227 ChemDiv3_000249 C1CN(CCO1)c2ccc(Nc3ccnc4cc5ccccc5cc34)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L08 compound treatment 1.028 -0.002 -0.06 1.027 -0.00459 -0.14 -0.1368 -0.928 3019925 ChemDiv3_000250 Brc1ccc(cc1)N(CN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L09 compound treatment 1.015 -0.015 -0.43 1.029 -0.00259 -0.08 -0.3612 -0.819 1196316 ChemDiv3_000251 COc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccnc3OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L10 compound treatment 1.043 0.013 0.38 1.046 0.0144 0.43 0.5676 0.9981 1401655 ChemDiv3_000252 CCSC1=C(C#N)C(C(=C(C)N1)C(=O)Nc2ccccc2)c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L11 compound treatment 1.015 -0.015 -0.43 1.019 -0.0126 -0.37 -0.5703 -0.997 1010418 ChemDiv3_000253 Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L12 compound treatment 1.039 0.009 0.26 1.044 0.0124 0.37 0.4438 0.9859 1538510 ChemDiv3_000254 CCOC(=O)n1c(=O)oc2cc(Cl)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L13 compound treatment 1.034 0.004 0.12 1.036 0.00441 0.13 0.1742 0.9982 1642025 ChemDiv3_000255 CCOC(=O)Nc1cc(=O)c2ccccc2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L14 compound treatment 1.004 -0.026 -0.75 1.001 -0.0306 -0.9 -1.1719 -0.9959 1641183 ChemDiv3_000256 O=C(COC(=O)c1cc2ccccc2oc1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L15 compound treatment 1.035 0.005 0.14 1.05 0.0184 0.54 0.4874 0.8651 3019926 ChemDiv3_000257 O/N=C(\c1ccccc1)/C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L16 compound treatment 1.041 0.011 0.32 1.033 0.00141 0.04 0.2548 0.7931 3117624 ChemDiv3_000258 CC[n+]1c(/C=C\2/CC(C)(C)CC(=C2)C)oc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L17 compound treatment 1.057 0.027 0.78 1.058 0.0264 0.78 1.1051 1.0 1920076 ChemDiv3_000259 Cc1cc(C)c2ccc(/C=N/O)nc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L18 compound treatment 1.042 0.012 0.35 1.043 0.0114 0.34 0.4844 0.9999 3117625 ChemDiv3_000260 CC[n+]1c(/C=C/2\CC(C)CC(=C2)C)sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L19 compound treatment 1.046 0.016 0.46 1.048 0.0164 0.49 0.6708 0.9997 1315100 ChemDiv3_000261 CSc1nc2ccccc2n1CN(C)Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L20 compound treatment 1.309 0.279 8.08 1.214 0.182 5.39 9.5271 0.9807 1305784 ChemDiv3_000262 COC(=O)c1cccc(n1)C(=O)Oc2ccc(OC(=O)c3cccc(n3)C(=O)OC)c(Cl)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L21 compound treatment 1.028 -0.002 -0.06 1.031 -5.86E-4 -0.02 -0.0532 -0.8801 1433025 ChemDiv3_000263 Cc1cc(cc(C)c1N)C2(CCCCC2)c3cc(C)c(N)c(C)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L22 compound treatment 1.033 0.003 0.09 1.038 0.00641 0.19 0.1955 0.9374 1464584 ChemDiv3_000264 CN(C)c1ccc(cc1)C(O)C(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L23 mock treatment 1.034 0.004 0.12 1.038 0.00641 0.19 0.216 0.972 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 L24 mock treatment 1.041 0.011 0.32 1.039 0.00741 0.22 0.3803 0.9834 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M01 compound treatment 1.011 -0.019 -0.55 1.014 -0.0176 -0.52 -0.7568 -0.9996 1660133 ChemDiv3_000265 CC1=CC(=O)OC1Cc2ccc3ccccc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M02 compound treatment 1.003 -0.027 -0.78 1.01 -0.0216 -0.64 -1.0042 -0.9949 1710588 ChemDiv3_000266 CC(=O)Nc1nc(cs1)C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M03 compound treatment 1.017 -0.013 -0.38 1.023 -0.00859 -0.25 -0.4457 -0.9816 3117626 ChemDiv3_000267 C/N=C\1/S/C(=C\c2cn(CC(=O)O)c3ccccc23)/C(=O)N1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M04 compound treatment 1.055 0.025 0.72 1.066 0.0344 1.02 1.2314 0.9861 3019928 ChemDiv3_000268 CC(C)(C)NC(=O)C[n+]1cccc(/C=N/O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M05 compound treatment 1.008 -0.022 -0.64 1.017 -0.0146 -0.43 -0.7555 -0.9819 3117629 ChemDiv3_000269 CC(=O)OC1CCC(CC1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M06 compound treatment 1.0 -0.03 -0.87 1.014 -0.0176 -0.52 -0.982 -0.9699 3019929 ChemDiv3_000270 CC(=O)Nc1sc2CCCCc2c1SC#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M07 compound treatment 1.016 -0.014 -0.41 1.02 -0.0116 -0.34 -0.5289 -0.9965 3117630 ChemDiv3_000271 CCC1(CC)C(=[N+](C)c2ccccc21)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M08 compound treatment 1.009 -0.021 -0.61 1.009 -0.0226 -0.67 -0.9022 -0.9989 1692026 ChemDiv3_000272 CC1(C)CC(CC(C)(C)N1)NC(=O)c2ccccc2C(=O)NC3CC(C)(C)NC(C)(C)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M09 compound treatment 1.057 0.027 0.78 1.034 0.00241 0.07 0.6034 0.7684 3019876 ChemDiv3_000273 CC[n+]1c(C)sc(c1c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M10 compound treatment 0.992 -0.038 -1.1 1.004 -0.0276 -0.82 -1.3549 -0.9891 3117631 ChemDiv3_000274 NC(=O)c1ccc[n+](CC(=O)N2CCCCC2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M11 compound treatment 0.982 -0.048 -1.39 0.989 -0.0426 -1.26 -1.8733 -0.9988 1141301 ChemDiv3_000275 COC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M12 compound treatment 1.032 0.002 0.06 1.039 0.00741 0.22 0.196 0.8643 3117632 ChemDiv3_000276 O/N=C/c1cc[n+](CCC(=O)NCc2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M13 compound treatment 1.014 -0.016 -0.46 1.019 -0.0126 -0.37 -0.5908 -0.9941 3019878 ChemDiv3_000277 Cc1cccc(NC(=O)/C=C/c2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M14 compound treatment 1.015 -0.015 -0.43 1.029 -0.00259 -0.08 -0.3612 -0.819 3117633 ChemDiv3_000278 OC(=O)c1ccccc1NC(=O)C[n+]2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M15 compound treatment 0.999 -0.031 -0.9 1.005 -0.0266 -0.79 -1.1907 -0.9978 1048436 ChemDiv3_000279 O=C(Nc1ccccc1)C2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M16 compound treatment 1.017 -0.013 -0.38 1.025 -0.00659 -0.19 -0.4039 -0.9529 1410422 ChemDiv3_000280 CCNc1c(N)c(=O)oc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M17 compound treatment 0.991 -0.039 -1.13 1.004 -0.0276 -0.82 -1.3754 -0.9872 3019903 ChemDiv3_000281 Nc1nonc1c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M18 compound treatment 1.015 -0.015 -0.43 1.019 -0.0126 -0.37 -0.5703 -0.997 3019904 ChemDiv3_000282 CC(C)C1=CCC(C)/C(=C\c2ccc(Cl)cc2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M19 compound treatment 1.003 -0.027 -0.78 1.011 -0.0206 -0.61 -0.9833 -0.9923 1010017 ChemDiv3_000283 O=C1C=CC(=O)N1c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M20 compound treatment 1.007 -0.023 -0.67 1.007 -0.0246 -0.73 -0.985 -0.999 1922526 ChemDiv3_000284 Brc1ccccc1c2nc3ccccc3c4nc5ccccc5n24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M21 compound treatment 1.02 -0.01 -0.29 1.014 -0.0176 -0.52 -0.5724 -0.9618 1409537 ChemDiv3_000285 Nc1ccc(cc1)C(=O)CC(=O)Nc2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M22 compound treatment 1.006 -0.024 -0.7 1.009 -0.0226 -0.67 -0.9637 -0.9998 1104285 ChemDiv3_000286 OC(=O)c1cc2ccc3cccc4ccc(c1)c2c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M23 mock treatment 1.016 -0.014 -0.41 1.016 -0.0156 -0.46 -0.6125 -0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 M24 mock treatment 1.005 -0.025 -0.72 0.997 -0.0346 -1.02 -1.235 -0.9857 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N01 compound treatment 1.01 -0.02 -0.58 1.014 -0.0176 -0.52 -0.7772 -0.9986 3019905 ChemDiv3_000287 C/C(=C/C(=O)O)/C=C/c1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N02 compound treatment 1.005 -0.025 -0.72 0.996 -0.0356 -1.05 -1.2559 -0.9834 1113098 ChemDiv3_000288 O=C(Oc1ccccc1OC(=O)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N03 compound treatment 0.999 -0.031 -0.9 1.012 -0.0196 -0.58 -1.0443 -0.9775 1455237 ChemDiv3_000289 S=C1NCN(CN1)C2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N04 compound treatment 1.171 0.141 4.08 1.144 0.112 3.32 5.2376 0.9948 1652365 ChemDiv3_000290 CC(C)c1cc(CN2CCN(CC2)c3ccccc3)c(O)c(CN4CCN(CC4)c5ccccc5)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N05 compound treatment 0.989 -0.041 -1.19 0.998 -0.0336 -0.99 -1.5418 -0.9961 3019907 ChemDiv3_000291 CN(C)C/C(=N/O)/C(=O)Nc1ccc(C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N06 compound treatment 1.008 -0.022 -0.64 1.007 -0.0246 -0.73 -0.9645 -0.9978 1498499 ChemDiv3_000292 COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)nc(OC)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N07 compound treatment 1.038 0.008 0.23 1.025 -0.00659 -0.19 0.0261 0.0863 1034347 ChemDiv3_000293 N#CCCn1nnc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N08 compound treatment 1.124 0.094 2.72 1.124 0.0924 2.73 3.857 1.0 3117634 ChemDiv3_000294 CC(=O)N(CN1C(=O)c2ccccc2C1=O)c3ccc4ccccc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N09 compound treatment 1.248 0.218 6.31 1.224 0.192 5.69 8.487 0.9986 1051930 ChemDiv3_000295 C(c1ccccc1)n2ccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N10 compound treatment 0.99 -0.04 -1.16 1.006 -0.0256 -0.76 -1.3541 -0.9787 1022496 ChemDiv3_000296 OC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N11 compound treatment 1.018 -0.012 -0.35 1.027 -0.00459 -0.14 -0.3416 -0.9158 1579194 ChemDiv3_000297 CN(C)C(=O)c1ccc(Oc2ccc(cc2)C(=O)N(C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N12 compound treatment 1.009 -0.021 -0.61 1.022 -0.00959 -0.28 -0.6305 -0.9396 1676465 ChemDiv3_000298 Clc1ccc(cc1)C(=O)n2c(=O)oc3cc(Cl)ccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N13 compound treatment 1.022 -0.008 -0.23 1.033 0.00141 0.04 -0.1343 -0.5703 1542255 ChemDiv3_000299 CCOC(=O)c1c(O)cc(C)cc1Nc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N14 compound treatment 0.963 -0.067 -1.94 0.968 -0.0636 -1.88 -2.7014 -0.9999 3117635 ChemDiv3_000300 O=C(C[n+]1ccccc1)c2cc3ccccc3oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N15 compound treatment 1.006 -0.024 -0.7 1.011 -0.0206 -0.61 -0.9219 -0.9978 1382153 ChemDiv3_000301 O=C1N(CC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N16 compound treatment 1.042 0.012 0.35 1.059 0.0274 0.81 0.8189 0.9285 1667966 ChemDiv3_000302 O=C(Nc1ccc(cc1)c2nc3cc(NC(=O)C4CCCCC4)ccc3o2)C5CCCCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N17 compound treatment 1.055 0.025 0.72 1.063 0.0314 0.93 1.1687 0.9924 3019932 ChemDiv3_000303 COC(=O)c1cc2cc(Br)ccc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N18 compound treatment 1.014 -0.016 -0.46 1.015 -0.0166 -0.49 -0.6744 -0.9996 1508788 ChemDiv3_000304 CC(=O)Nc1ccc2oc3ccccc3c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N19 compound treatment 1.022 -0.008 -0.23 1.033 0.00141 0.04 -0.1343 -0.5703 3019933 ChemDiv3_000305 NC(=O)CSc1nc2ccccc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N20 compound treatment 1.029 -0.001 -0.03 1.026 -0.00559 -0.17 -0.1373 -0.8186 1682374 ChemDiv3_000306 COC(=O)c1cccc(n1)C(=O)Nc2ccc(F)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N21 compound treatment 1.035 0.005 0.14 1.043 0.0114 0.34 0.341 0.9286 1467868 ChemDiv3_000307 Cc1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N22 compound treatment 1.023 -0.007 -0.2 1.016 -0.0156 -0.46 -0.4692 -0.932 3019936 ChemDiv3_000308 O=C/1OC(=N\C1=C/c2ccco2)c3ccc(cc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N23 mock treatment 1.074 0.044 1.27 1.079 0.0474 1.4 1.8923 0.9989 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 N24 mock treatment 1.009 -0.021 -0.61 1.009 -0.0226 -0.67 -0.9022 -0.9989 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O01 compound treatment 1.031 0.001 0.03 1.034 0.00241 0.07 0.0709 0.9211 3117636 ChemDiv3_000309 NNc1nc(cc(n1)c2ccccc2O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O02 compound treatment 1.044 0.014 0.41 1.032 4.14E-4 0.01 0.2953 0.7281 3019937 ChemDiv3_000310 CCCc1[nH]c(Br)nc1c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O03 compound treatment 1.029 -0.001 -0.03 1.023 -0.00859 -0.25 -0.2 -0.7827 1573334 ChemDiv3_000311 COc1nsnc1N2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O04 compound treatment 1.028 -0.002 -0.06 1.028 -0.00359 -0.11 -0.1159 -0.9595 3117637 ChemDiv3_000312 CN(C)C(=O)C[n+]1cccc(/C=N/O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O05 compound treatment 1.022 -0.008 -0.23 1.026 -0.00559 -0.17 -0.2806 -0.9862 1280359 ChemDiv3_000313 CCCCC1CCC(CC1)c2ccc(cc2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O06 compound treatment 1.031 0.001 0.03 1.039 0.00741 0.22 0.1755 0.7936 3019939 ChemDiv3_000314 C[n+]1ccccc1c2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O07 compound treatment 1.032 0.002 0.06 1.034 0.00241 0.07 0.0914 0.9946 1372721 ChemDiv3_000315 CCCCC1CCC(CC1)C(=O)Oc2ccc(OCC)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O08 compound treatment 1.041 0.011 0.32 1.05 0.0184 0.54 0.6102 0.9674 1559693 ChemDiv3_000316 CCOC(=O)c1[nH]c2ccc(OCC)cc2c1CCCN3C(=O)c4ccccc4C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O09 compound treatment 1.035 0.005 0.14 1.046 0.0144 0.43 0.4037 0.897 1672292 ChemDiv3_000317 COC(=O)c1ccc2n(CCO)c(C)nc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O10 compound treatment 1.032 0.002 0.06 1.035 0.00341 0.1 0.1123 0.9652 3117638 ChemDiv3_000318 CC(C)(C)CC[n+]1ccc(cc1)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O11 compound treatment 1.037 0.007 0.2 1.046 0.0144 0.43 0.4447 0.9423 3019783 ChemDiv3_000319 CN1C(N(C)c2ccccc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O12 compound treatment 1.032 0.002 0.06 1.049 0.0174 0.51 0.405 0.7817 3019784 ChemDiv3_000320 CC(C)(C)CC[n+]1ccc(/C=N/O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O13 compound treatment 1.069 0.039 1.13 1.074 0.0424 1.25 1.6854 0.9986 1564111 ChemDiv3_000321 Cc1ccc(cc1)C(=O)c2ccc(Oc3ccccc3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O14 compound treatment 1.023 -0.007 -0.2 1.032 4.14E-4 0.01 -0.1347 -0.6632 1011033 ChemDiv3_000322 Cc1nc(N)c(nc1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O15 compound treatment 1.031 0.001 0.03 1.035 0.00341 0.1 0.0918 0.8747 1628748 ChemDiv3_000323 CN(CC(=O)C1=C(C(=O)c2ccccc2C1=O)c3ccc(Br)cc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O16 compound treatment 1.037 0.007 0.2 1.039 0.00741 0.22 0.2983 0.9992 1540210 ChemDiv3_000324 Nc1c(N2CCOCC2)c3ccccc3oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O17 compound treatment 1.054 0.024 0.7 1.049 0.0174 0.51 0.8555 0.9891 1072203 ChemDiv3_000325 CCCn1c2ccccc2c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O18 compound treatment 1.03 0.0 0.0 1.032 4.14E-4 0.01 0.0087 0.7071 3019785 ChemDiv3_000326 COc1ccc(/C=C/2\C(C)CC=C(C(C)C)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O19 compound treatment 1.034 0.004 0.12 1.035 0.00341 0.1 0.1533 0.9976 1084080 ChemDiv3_000327 CC[n+]1ccc(C)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O20 compound treatment 1.149 0.119 3.45 1.166 0.134 3.97 5.247 0.9975 1594899 ChemDiv3_000328 COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O21 compound treatment 1.042 0.012 0.35 1.047 0.0154 0.46 0.568 0.991 1181132 ChemDiv3_000329 O=C(NCC1(CC2CC3CC(C2)C1)C3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O22 compound treatment 1.041 0.011 0.32 1.05 0.0184 0.54 0.6102 0.9674 1124218 ChemDiv3_000330 CCc1nc(C)ccc1OCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O23 mock treatment 1.032 0.002 0.06 1.039 0.00741 0.22 0.196 0.8643 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 O24 mock treatment 1.028 -0.002 -0.06 1.031 -5.86E-4 -0.02 -0.0532 -0.8801 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P01 compound treatment 1.016 -0.014 -0.41 1.017 -0.0146 -0.43 -0.5916 -0.9995 1003174 ChemDiv3_000331 CC(O)c1ccc(Oc2ccc(cc2)C(C)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P02 compound treatment 1.039 0.009 0.26 1.037 0.00541 0.16 0.2975 0.9726 3019787 ChemDiv3_000332 CN(C)c1ccc(/C=N/c2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P03 compound treatment 1.019 -0.011 -0.32 1.023 -0.00859 -0.25 -0.4048 -0.9937 1340347 ChemDiv3_000333 CC(C)(C)c1cc(CN2CCN(CCC#N)CC2)cc(c1O)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P04 compound treatment 1.023 -0.007 -0.2 1.026 -0.00559 -0.17 -0.2601 -0.9948 3019803 ChemDiv3_000334 COc1cccc2s/c(=N/C(=O)CC3(CC4CC5CC(C4)C3)C5)/n(C)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P05 compound treatment 1.022 -0.008 -0.23 1.03 -0.00159 -0.05 -0.197 -0.8333 1922875 ChemDiv3_000335 CCN(CC)C(=O)C1(CC2CC3C1)CC(C2)CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P06 compound treatment 1.029 -0.001 -0.03 1.02 -0.0116 -0.34 -0.2627 -0.7642 3117639 ChemDiv3_000336 O/N=C/c1cccc[n+]1CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P07 compound treatment 1.027 -0.003 -0.09 1.027 -0.00459 -0.14 -0.1573 -0.9769 1035295 ChemDiv3_000337 CC(C)(C)N1C(=O)c2ccccc2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P08 compound treatment 1.034 0.004 0.12 1.039 0.00741 0.22 0.2369 0.9556 1005478 ChemDiv3_000338 Nc1ccc(Oc2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P09 compound treatment 1.022 -0.008 -0.23 1.032 4.14E-4 0.01 -0.1552 -0.6688 1734538 ChemDiv3_000339 OC(=O)CCNC(=O)c1ccco1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P10 compound treatment 1.026 -0.004 -0.12 1.02 -0.0116 -0.34 -0.3241 -0.8964 3117642 ChemDiv3_000340 CN(C)c1ccc(/C=C/2\CCC/C(=C\c3ccccc3)/C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P11 compound treatment 1.012 -0.018 -0.52 1.012 -0.0196 -0.58 -0.7781 -0.9986 1511725 ChemDiv3_000341 COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3cccc(c3)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P12 compound treatment 1.224 0.194 5.62 1.204 0.172 5.1 7.5774 0.9988 1287341 ChemDiv3_000342 O=S(=O)(N1CCOCC1)c2cccc(c2)S(=O)(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P13 compound treatment 1.042 0.012 0.35 1.047 0.0154 0.46 0.568 0.991 1166133 ChemDiv3_000343 CN(C)CCOC(=O)c1ccc2n(CCN(C)C)c(C)c(C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P14 compound treatment 1.034 0.004 0.12 1.044 0.0124 0.37 0.3414 0.8871 1920545 ChemDiv3_000344 O=c1cc([nH]c(=S)[nH]1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P15 compound treatment 1.016 -0.014 -0.41 1.025 -0.00659 -0.19 -0.4244 -0.9435 3117643 ChemDiv3_000345 Oc1ccc(Br)cc1/C=N\CC2(CC3CC4CC(C3)CC2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P16 compound treatment 1.011 -0.019 -0.55 1.019 -0.0126 -0.37 -0.6522 -0.9819 1350693 ChemDiv3_000346 Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P17 compound treatment 1.348 0.318 9.21 1.328 0.296 8.76 12.7091 0.9997 1509469 ChemDiv3_000347 CCN(CC)C(=O)c1cc(nc2ccccc12)c3cc(C(=O)N(CC)CC)c4ccccc4n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P18 compound treatment 1.05 0.02 0.58 1.047 0.0154 0.46 0.7318 0.993 3019852 ChemDiv3_000348 O/N=C(\Cn1cncn1)/c2ccc(Cl)cc2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P19 compound treatment 1.076 0.046 1.33 1.077 0.0454 1.34 1.8914 1.0 1127886 ChemDiv3_000349 C(Cc1nc2ccccc2o1)Cc3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P20 compound treatment 1.156 0.126 3.65 1.153 0.121 3.59 5.1186 1.0 1524725 ChemDiv3_000350 COC(=O)c1cccc(n1)C(=O)Nc2cnc3ccccc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P21 compound treatment 1.029 -0.001 -0.03 1.044 0.0124 0.37 0.2391 0.6493 1740437 ChemDiv3_000351 OC(CNCc1ccccc1)C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P22 compound treatment 1.047 0.017 0.49 1.05 0.0184 0.54 0.7331 0.9987 3019853 ChemDiv3_000352 Brc1ccc(cc1)S(=O)(=O)/N=C(\Oc2ccccc2)/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P23 mock treatment 1.033 0.003 0.09 1.034 0.00241 0.07 0.1119 0.9952 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2001 P24 mock treatment 1.027 -0.003 -0.09 1.024 -0.00759 -0.22 -0.22 -0.9148 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A01 compound treatment 1.014 -0.0178 -0.52 1.03 0.00177 0.05 -0.3282 -0.6321 3117644 ChemDiv3_000353 Brc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A02 compound treatment 1.011 -0.0208 -0.6 1.002 -0.0262 -0.78 -0.975 -0.9923 1625003 ChemDiv3_000354 NS(=O)(=O)c1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A03 compound treatment 1.068 0.0362 1.05 1.048 0.0198 0.58 1.1539 0.9621 1914243 ChemDiv3_000355 O=C(Oc1ccc2ccccc2c1)/C=C/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A04 compound treatment 1.017 -0.0148 -0.43 1.006 -0.0222 -0.66 -0.7685 -0.9788 1922486 ChemDiv3_000356 O=C/1NC(=S)S\C1=C\Nc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A05 compound treatment 1.018 -0.0138 -0.4 1.0 -0.0282 -0.83 -0.8735 -0.9435 1148913 ChemDiv3_000357 CC(C)(C)NC(=O)c1ccc2C(=O)c3ccccc3-c4onc1c42 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A06 compound treatment 1.035 0.00316 0.09 1.021 -0.00723 -0.21 -0.0863 -0.3714 1082370 ChemDiv3_000358 NCCSC1(CC2CC3CC(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A07 compound treatment 1.02 -0.0118 -0.34 0.986 -0.0422 -1.25 -1.1252 -0.8691 1561720 ChemDiv3_000359 Cc1ccc2nc(cc(C(=O)Nc3ccccc3)c2c1)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A08 compound treatment 0.996 -0.0358 -1.04 1.009 -0.0192 -0.57 -1.1359 -0.9598 1739494 ChemDiv3_000360 CC(=O)Nc1c(N)c2ccccc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A09 compound treatment 1.006 -0.0258 -0.75 1.008 -0.0202 -0.6 -0.952 -0.9938 1726014 ChemDiv3_000361 C(CN1CCN(CC1)C(c2ccccc2)c3ccccc3)Cc4c[nH]c5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A10 compound treatment 1.082 0.0502 1.45 1.061 0.0328 0.97 1.7124 0.9806 1003179 ChemDiv3_000362 COc1ccc(cc1)C(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A11 compound treatment 1.02 -0.0118 -0.34 1.026 -0.00223 -0.07 -0.289 -0.8277 1574213 ChemDiv3_000363 COc1ccc(cc1)S(=O)(=O)NC2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A12 compound treatment 1.06 0.0282 0.82 1.068 0.0398 1.18 1.4082 0.984 3117645 ChemDiv3_000364 COc1ccc(/C=N/c2ccc(cc2)C(=O)N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A13 compound treatment 1.014 -0.0178 -0.52 0.999 -0.0292 -0.86 -0.9763 -0.9698 3019887 ChemDiv3_000365 O/N=C(/c1ccccc1)\c2ccccn2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A14 compound treatment 0.89 -0.142 -4.11 0.912 -0.116 -3.44 -5.3345 -0.9961 1478079 ChemDiv3_000366 Fc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A15 compound treatment 1.027 -0.00484 -0.14 1.022 -0.00623 -0.18 -0.2292 -0.9909 3117646 ChemDiv3_000367 Cn1c2ccc(/N=C/c3ccccc3O)cc2c4nc5ccccc5nc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A16 compound treatment 1.015 -0.0168 -0.49 1.02 -0.00823 -0.24 -0.5168 -0.9484 1190781 ChemDiv3_000368 Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(c4ccccc4)n1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A17 compound treatment 1.022 -0.00984 -0.28 1.027 -0.00123 -0.04 -0.2271 -0.7907 3019890 ChemDiv3_000369 CCOC(=O)n1c(=S)oc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A18 compound treatment 1.017 -0.0148 -0.43 1.001 -0.0272 -0.8 -0.8731 -0.9568 1644186 ChemDiv3_000370 CCOC(=O)COc1ccc(cc1)C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A19 compound treatment 1.023 -0.00884 -0.26 1.019 -0.00923 -0.27 -0.3739 -0.9995 3117647 ChemDiv3_000371 COc1cccc(/C=N/c2cccc(NC(=O)c3ccc(F)cc3)c2)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A20 compound treatment 0.992 -0.0398 -1.15 1.011 -0.0172 -0.51 -1.176 -0.9324 1428551 ChemDiv3_000372 CCCC1(CCC2(CC1)c3ccc(C#N)cc3)CC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A21 compound treatment 1.021 -0.0108 -0.31 1.014 -0.0142 -0.42 -0.5194 -0.9896 3019912 ChemDiv3_000373 CC(C(=O)c1ccccc1)[n+]2ccc3ccccc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A22 compound treatment 1.051 0.0192 0.55 1.023 -0.00523 -0.15 0.2831 0.4915 3117648 ChemDiv3_000374 Cc1cccc(NC(=O)CN2C(=O)/C(=N\N)/c3ccccc23)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A23 mock treatment 1.033 0.00116 0.03 1.023 -0.00523 -0.15 -0.0855 -0.5405 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 A24 mock treatment 1.028 -0.00384 -0.11 1.015 -0.0132 -0.39 -0.3551 -0.8735 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B01 compound treatment 1.004 -0.0278 -0.81 0.993 -0.0352 -1.04 -1.3065 -0.992 3117649 ChemDiv3_000375 CCOC(=O)c1ccc(/N=C/c2ccc3OCOc3c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B02 compound treatment 1.008 -0.0238 -0.69 1.018 -0.0102 -0.3 -0.702 -0.9314 1617961 ChemDiv3_000376 CC(C)OC(=O)CN1C(=O)c2ccc(cc2C1=O)C(=O)OC(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B03 compound treatment 1.053 0.0212 0.61 1.075 0.0468 1.38 1.4112 0.933 1656957 ChemDiv3_000377 CC1(CN2CN3C1)C(=O)C(C2)(C3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B04 compound treatment 1.007 -0.0248 -0.72 1.012 -0.0162 -0.48 -0.8479 -0.9806 3117650 ChemDiv3_000378 COc1ccc(/C=C/2\C(C)CCC(C)(C(C)C)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B05 compound treatment 0.996 -0.0358 -1.04 0.983 -0.0452 -1.34 -1.6794 -0.9922 1688345 ChemDiv3_000379 Oc1nc2SCCCn2c(=O)c1Cc3cc(Cl)cc(Cl)c3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B06 compound treatment 1.006 -0.0258 -0.75 0.987 -0.0412 -1.22 -1.391 -0.9726 3020471 ChemDiv3_000380 COc1ccc(cc1)c2c(C)s/c(=N\c3ccc(C)cc3)/n2CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B07 compound treatment 0.998 -0.0338 -0.98 1.011 -0.0172 -0.51 -1.0531 -0.9535 1735047 ChemDiv3_000381 CC(=O)Oc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccc3ccccc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B08 compound treatment 1.005 -0.0268 -0.78 1.009 -0.0192 -0.57 -0.9516 -0.9882 3020472 ChemDiv3_000382 COc1ccc(/N=C/c2cn(nc2c3ccccc3)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B09 compound treatment 1.023 -0.00884 -0.26 0.989 -0.0392 -1.16 -1.0011 -0.8429 3020473 ChemDiv3_000383 CN(C)c1ccc(/C=N/c2cc(Br)c3OCCOc3c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B10 compound treatment 1.008 -0.0238 -0.69 1.014 -0.0142 -0.42 -0.7856 -0.9718 3020474 ChemDiv3_000384 O=C1NC(=O)C(=Cc2ccc(o2)c3ccccc3)C(=O)N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B11 compound treatment 1.004 -0.0278 -0.81 1.006 -0.0222 -0.66 -1.0348 -0.9948 3117651 ChemDiv3_000385 C(CSc1nc2ccccc2n1CCOc3ccccc3)Oc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B12 compound treatment 1.027 -0.00484 -0.14 0.992 -0.0362 -1.07 -0.8564 -0.7929 3020475 ChemDiv3_000386 Clc1ccc(/C=C/2\SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B13 compound treatment 1.01 -0.0218 -0.63 1.027 -0.00123 -0.04 -0.4728 -0.7464 3117652 ChemDiv3_000387 CN1/C(=C\2/SC(=S)N(C2=O)c3ccccc3)/Sc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B14 compound treatment 1.005 -0.0268 -0.78 1.009 -0.0192 -0.57 -0.9516 -0.9882 1709090 ChemDiv3_000388 CC(C)(C)NC(=S)NC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B15 compound treatment 0.996 -0.0358 -1.04 0.999 -0.0292 -0.86 -1.3449 -0.9959 1222580 ChemDiv3_000389 C(n1ccc2ccccc12)C3(OCCO3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B16 compound treatment 1.011 -0.0208 -0.6 0.998 -0.0302 -0.89 -1.0587 -0.9817 3020476 ChemDiv3_000390 Cn1c[n+](C)cc1C(O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B17 compound treatment 0.975 -0.0568 -1.65 0.994 -0.0342 -1.01 -1.8795 -0.9727 3117653 ChemDiv3_000391 C(=N/c1ccc2ccccc2c1)\c3ccncc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B18 compound treatment 0.94 -0.0918 -2.66 0.906 -0.122 -3.61 -4.436 -0.9886 3117654 ChemDiv3_000392 CC1(C)Cc2ccccc2/C(=N/c3nc(cs3)c4ccccc4)/N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B19 compound treatment 1.017 -0.0148 -0.43 1.011 -0.0172 -0.51 -0.664 -0.9964 1338386 ChemDiv3_000393 CCC1(CC2CC3(O)CC(O)(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B20 compound treatment 1.022 -0.00984 -0.28 1.024 -0.00423 -0.12 -0.2898 -0.9315 1917487 ChemDiv3_000394 CC(/N=C/c1c(O)ccc2ccccc12)C3(CC4CC5CC(C4)C3)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B21 compound treatment 0.989 -0.0428 -1.24 0.999 -0.0292 -0.86 -1.4883 -0.9844 3117655 ChemDiv3_000395 S=C/1OC(=C\C1=C/N2CCCCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B22 compound treatment 1.026 -0.00584 -0.17 1.032 0.00377 0.11 -0.0407 -0.2007 3020477 ChemDiv3_000396 Cc1c(/N=C/2\SCC(=O)N2/N=C\c3ccc(Br)cc3)c(=O)n(c4ccccc4)n1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B23 mock treatment 1.006 -0.0258 -0.75 1.012 -0.0162 -0.48 -0.8684 -0.9769 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 B24 mock treatment 1.022 -0.00984 -0.28 1.013 -0.0152 -0.45 -0.5198 -0.9757 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C01 compound treatment 1.038 0.00616 0.18 1.039 0.0108 0.32 0.3514 0.9625 3117656 ChemDiv3_000397 O/N=C\1/C(=O)N(CC(=O)Nc2ccccc2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C02 compound treatment 1.037 0.00516 0.15 1.047 0.0188 0.56 0.4982 0.8666 1329935 ChemDiv3_000398 O=C1N(CCC2(CC3CC4CC(C3)C2)C4)C(=O)c5ccccc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C03 compound treatment 1.037 0.00516 0.15 1.029 7.74E-4 0.02 0.1219 0.806 3020478 ChemDiv3_000399 Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C04 compound treatment 1.036 0.00416 0.12 1.041 0.0128 0.38 0.3523 0.8886 3117657 ChemDiv3_000400 Cc1cc(C)c2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C05 compound treatment 1.045 0.0132 0.38 1.026 -0.00223 -0.07 0.223 0.5765 1721945 ChemDiv3_000401 Cc1ccc2c(=O)c(coc2c1)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C06 compound treatment 1.048 0.0162 0.47 1.045 0.0168 0.5 0.6816 0.9996 1169311 ChemDiv3_000402 OC(=O)CSC1(CC2CC3CC(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C07 compound treatment 1.049 0.0172 0.5 1.045 0.0168 0.5 0.7021 1.0 3117658 ChemDiv3_000403 COc1ccc(/C=C/2\CCCC3=C2NC(=S)NC3c4ccc(OC)cc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C08 compound treatment 1.028 -0.00384 -0.11 1.035 0.00677 0.2 0.063 0.2751 1345307 ChemDiv3_000404 Cc1cc2nc(SCCN3CCCC3)[nH]c2cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C09 compound treatment 1.03 -0.00184 -0.05 1.019 -0.00923 -0.27 -0.2305 -0.8295 3117659 ChemDiv3_000405 Cc1sc(/N=C/c2ccccc2O)c(C#N)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C10 compound treatment 1.043 0.0112 0.32 1.02 -0.00823 -0.24 0.0566 0.1399 1625198 ChemDiv3_000406 COc1ccc(cc1OC)c2cnn(c2N)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C11 compound treatment 1.053 0.0212 0.61 1.066 0.0378 1.12 1.2231 0.9601 1460903 ChemDiv3_000407 Cc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C12 compound treatment 1.046 0.0142 0.41 1.051 0.0228 0.67 0.7661 0.9717 3020479 ChemDiv3_000408 Fc1ccccc1/C=N/c2cccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C13 compound treatment 1.04 0.00816 0.24 1.032 0.00377 0.11 0.246 0.9413 1489098 ChemDiv3_000409 CN1C2CCC1CC(C2)OC(=O)CCN3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C14 compound treatment 1.018 -0.0138 -0.4 1.02 -0.00823 -0.24 -0.4554 -0.9713 3117660 ChemDiv3_000410 CC(=O)NC1C(O)C(O)C(CO)OC1OCCOc2ccc(Cl)cc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C15 compound treatment 1.073 0.0412 1.19 1.067 0.0388 1.15 1.6535 0.9998 3020480 ChemDiv3_000411 Fc1ccccc1/C=C\2/SC(=O)N(CN3CCCCC3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C16 compound treatment 1.025 -0.00684 -0.2 1.014 -0.0142 -0.42 -0.4375 -0.941 3117661 ChemDiv3_000412 Cc1cs/c(=N\c2ccccc2)/n1CC(=O)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C17 compound treatment 1.097 0.0652 1.89 1.059 0.0308 0.91 1.9778 0.944 1338722 ChemDiv3_000413 O=c1oc2ccccc2n1CNc3ccccn3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C18 compound treatment 1.055 0.0232 0.67 1.038 0.00977 0.29 0.6786 0.9292 3117662 ChemDiv3_000414 CCOc1ccc(cc1)[n+]2c(cn3CCCc32)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C19 compound treatment 1.052 0.0202 0.58 1.037 0.00877 0.26 0.5963 0.9333 3117663 ChemDiv3_000415 CC(C)C1(C)N=C(NC1=O)c2ncccc2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C20 compound treatment 1.041 0.00916 0.27 1.037 0.00877 0.26 0.371 0.9999 3020481 ChemDiv3_000416 CC(=C)C(=O)Nc1ccc(O)c(c1)c2nc3ccccc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C21 compound treatment 1.028 -0.00384 -0.11 1.026 -0.00223 -0.07 -0.1251 -0.9687 3117664 ChemDiv3_000417 CC(C(=O)c1ccccc1)[n+]2cccc(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C22 compound treatment 1.052 0.0202 0.58 1.063 0.0348 1.03 1.1399 0.9641 3020482 ChemDiv3_000418 N/C(=N\O)/C[n+]1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C23 mock treatment 1.031 -8.39E-4 -0.02 1.035 0.00677 0.2 0.1244 0.6168 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 C24 mock treatment 1.054 0.0222 0.64 1.037 0.00877 0.26 0.6373 0.9206 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D01 compound treatment 1.032 1.61E-4 0.0 1.022 -0.00623 -0.18 -0.1269 -0.6889 3117665 ChemDiv3_000419 Brc1ccc(/C=N\C2C3CC4CC(C3)CC2C4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D02 compound treatment 1.025 -0.00684 -0.2 1.034 0.00577 0.17 -0.0193 -0.0739 1642252 ChemDiv3_000420 CC(C(CC(=O)O)C(=O)O)c1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D03 compound treatment 1.029 -0.00284 -0.08 1.027 -0.00123 -0.04 -0.0838 -0.9323 1348263 ChemDiv3_000421 CC(C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D04 compound treatment 1.039 0.00716 0.21 1.017 -0.0112 -0.33 -0.088 -0.225 1509351 ChemDiv3_000422 COc1ccc(cc1OC)C(=O)Nc2ccc3C(=O)N(C)C(=O)c3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D05 compound treatment 1.021 -0.0108 -0.31 1.018 -0.0102 -0.3 -0.4357 -0.9998 3020483 ChemDiv3_000423 CCN1C(=O)C(=Cc2ccc(cc2)N(C)C)C(=O)N(CC)C1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D06 compound treatment 1.024 -0.00784 -0.23 1.03 0.00177 0.05 -0.1234 -0.5298 3117666 ChemDiv3_000424 CCOC(=O)C1=C(C)NC(=S)NC1c2ccc(o2)c3ccccc3Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D07 compound treatment 1.035 0.00316 0.09 1.03 0.00177 0.05 0.1018 0.9651 1529711 ChemDiv3_000425 Oc1cc2ccccc2cc1C(=O)Nc3ccccc3Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D08 compound treatment 1.042 0.0102 0.29 1.016 -0.0122 -0.36 -0.0475 -0.1019 3117667 ChemDiv3_000426 CN(C)c1ccc(cc1)c2cccc([o+]2)c3ccc(cc3)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D09 compound treatment 1.017 -0.0148 -0.43 1.012 -0.0162 -0.48 -0.6431 -0.9985 3020484 ChemDiv3_000427 Nc1nc2ccc(cc2s1)c3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D10 compound treatment 0.963 -0.0688 -1.99 0.889 -0.139 -4.12 -4.3204 -0.9446 3117668 ChemDiv3_000428 Cn1c(c(/C=C\2/C(=O)Oc3ccccc3C2=O)c4ccccc14)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D11 compound treatment 1.033 0.00116 0.03 1.029 7.74E-4 0.02 0.04 0.9824 3020485 ChemDiv3_000429 CCC1SC2=NCN(CN2C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D12 compound treatment 1.034 0.00216 0.06 1.076 0.0478 1.41 1.0431 0.7377 1918348 ChemDiv3_000430 COc1ccc(/C=C/2\SC(=S)N(CC(=O)Nc3ccccc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D13 compound treatment 1.108 0.0762 2.21 1.125 0.0968 2.86 3.5829 0.9917 3117669 ChemDiv3_000431 CCN1/C(=C\2/SC(=S)NC2=O)/Sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D14 compound treatment 1.096 0.0642 1.86 1.113 0.0848 2.51 3.0862 0.9891 1556840 ChemDiv3_000432 Cc1ccc(NC(=S)NC(=O)C2(CC3CC4C2)CC(C3)CC4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D15 compound treatment 1.016 -0.0158 -0.46 1.019 -0.00923 -0.27 -0.5172 -0.9692 1257795 ChemDiv3_000433 O=C1CSC(N1CCc2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D16 compound treatment 1.029 -0.00284 -0.08 1.015 -0.0132 -0.39 -0.3346 -0.8375 3020486 ChemDiv3_000434 C[n+]1cc(ccc1/C=N/O)C(=O)NCCC[N+]2(C)CCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D17 compound treatment 1.034 0.00216 0.06 1.037 0.00877 0.26 0.2277 0.8532 1486295 ChemDiv3_000435 C1CCc2c(C1)c(nc3ccc4ccccc4c23)c5cccnc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D18 compound treatment 1.075 0.0432 1.25 1.071 0.0428 1.26 1.7781 1.0 3117670 ChemDiv3_000436 Cc1cc2CC(C)(C)N/C(=N\c3ccccc3)/c2cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D19 compound treatment 1.04 0.00816 0.24 1.038 0.00977 0.29 0.3715 0.995 1377733 ChemDiv3_000437 OC(=O)C1(CC2CC3C1)CC(C2)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D20 compound treatment 1.037 0.00516 0.15 1.044 0.0158 0.47 0.4355 0.8892 1712241 ChemDiv3_000438 CCOc1ccc(Nc2nc3cc(C)ccc3cc2C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D21 compound treatment 1.042 0.0102 0.29 1.038 0.00977 0.29 0.4124 1.0 3020487 ChemDiv3_000439 N/C=C/1\C=C(OC1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D22 compound treatment 1.078 0.0462 1.34 1.063 0.0348 1.03 1.6723 0.9916 3117671 ChemDiv3_000440 Cc1cccc(Nc2nc3ccccn3c(=O)c2/C=N/c4cccc(C)c4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D23 mock treatment 1.029 -0.00284 -0.08 1.049 0.0208 0.61 0.3762 0.607 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 D24 mock treatment 1.026 -0.00584 -0.17 1.015 -0.0132 -0.39 -0.3961 -0.9297 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E01 compound treatment 1.04 0.00816 0.24 1.039 0.0108 0.32 0.3924 0.9892 3020488 ChemDiv3_000441 O=C/1NC(=S)N\C1=C/c2ccco2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E02 compound treatment 1.045 0.0132 0.38 1.039 0.0108 0.32 0.4948 0.996 1159657 ChemDiv3_000442 CC1SC(=NC1(O)C2(CC3CC4CC(C3)C2)C4)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E03 compound treatment 1.038 0.00616 0.18 1.029 7.74E-4 0.02 0.1424 0.7913 1407431 ChemDiv3_000443 Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E04 compound treatment 1.041 0.00916 0.27 1.026 -0.00223 -0.07 0.1411 0.5161 1509204 ChemDiv3_000444 COC(=O)C(C)Nc1cccc(Br)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E05 compound treatment 1.036 0.00416 0.12 1.036 0.00777 0.23 0.2477 0.9546 3117672 ChemDiv3_000445 O=C(/C=C/c1ccco1)/C=C/c2ccco2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E06 compound treatment 1.071 0.0392 1.13 1.073 0.0448 1.32 1.738 0.997 1168228 ChemDiv3_000446 CNC1(CC2CC3CC(S)(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E07 compound treatment 1.041 0.00916 0.27 1.052 0.0238 0.7 0.6846 0.9113 3117673 ChemDiv3_000447 OC(=O)CCC(=O)N1N=C/2C(CCC\C2=C/c3ccc(F)cc3)C1c4ccc(F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E08 compound treatment 1.044 0.0122 0.35 1.042 0.0138 0.41 0.537 0.9974 1139169 ChemDiv3_000448 C1CCN(CC1)Sc2nc3ccccc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E09 compound treatment 1.046 0.0142 0.41 1.028 -2.26E-4 -0.01 0.2853 0.6955 1916119 ChemDiv3_000449 Brc1ccc(cc1)C(=O)COC(=O)c2ccc(Br)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E10 compound treatment 1.034 0.00216 0.06 1.034 0.00577 0.17 0.165 0.9073 3020489 ChemDiv3_000450 Oc1ccc(Br)cc1/C=N/c2cc3OCCOc3cc2Br 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E11 compound treatment 0.984 -0.0478 -1.39 0.976 -0.0522 -1.54 -2.0715 -0.9985 3117674 ChemDiv3_000451 NC(=S)NC(=O)/C=C/c1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E12 compound treatment 1.121 0.0892 2.58 1.099 0.0708 2.09 3.3055 0.9946 3020490 ChemDiv3_000452 Fc1ccc(/N=C/c2ccccc2F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E13 compound treatment 1.036 0.00416 0.12 1.032 0.00377 0.11 0.1641 0.9993 1516214 ChemDiv3_000453 CN(Cc1ccccc1)C(=O)CN2CCCC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E14 compound treatment 1.034 0.00216 0.06 1.025 -0.00323 -0.1 -0.0232 -0.2032 1022614 ChemDiv3_000454 OCCNC(=O)COc1ccc(Cl)cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E15 compound treatment 1.028 -0.00384 -0.11 1.014 -0.0142 -0.42 -0.376 -0.8643 3117675 ChemDiv3_000455 Cc1ccc(cc1)c2cs/c(=N/C(=O)Nc3ccccc3)/[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E16 compound treatment 1.019 -0.0128 -0.37 1.028 -2.26E-4 -0.01 -0.2676 -0.7197 3020491 ChemDiv3_000456 Clc1ccc(cc1Cl)c2cnc3CCCn23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E17 compound treatment 1.025 -0.00684 -0.2 1.038 0.00977 0.29 0.0643 0.1835 3117676 ChemDiv3_000457 CCSc1nnc(NC(=O)/C=C/c2ccccc2)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E18 compound treatment 1.025 -0.00684 -0.2 1.026 -0.00223 -0.07 -0.1866 -0.894 1523604 ChemDiv3_000458 CC(C)C1CCC(C)CC1OCC(O)C[N+]2(C)CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E19 compound treatment 1.08 0.0482 1.39 1.087 0.0588 1.74 2.215 0.9941 3020492 ChemDiv3_000459 O=C(/C=C\1/Nc2ccccc2NC1=O)c3cccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E20 compound treatment 1.051 0.0192 0.55 1.048 0.0198 0.58 0.8058 0.9997 3117677 ChemDiv3_000460 c1ccc2[nH]c(nc2c1)c3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E21 compound treatment 1.04 0.00816 0.24 1.033 0.00477 0.14 0.2669 0.9696 3020493 ChemDiv3_000461 O=C1N(C(=O)C(=Cc2ccccc2)C(=O)N1c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E22 compound treatment 1.044 0.0122 0.35 1.048 0.0198 0.58 0.6625 0.9706 1013141 ChemDiv3_000462 C[n+]1cccc(c1)C(=O)NO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E23 mock treatment 1.038 0.00616 0.18 1.039 0.0108 0.32 0.3514 0.9625 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 E24 mock treatment 1.052 0.0202 0.58 1.031 0.00277 0.08 0.4709 0.7986 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F01 compound treatment 1.038 0.00616 0.18 1.029 7.74E-4 0.02 0.1424 0.7913 1512742 ChemDiv3_000463 CN(C)CCNC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F02 compound treatment 1.03 -0.00184 -0.05 1.027 -0.00123 -0.04 -0.0633 -0.9824 1734477 ChemDiv3_000464 O=c1n(Cc2ccccc2)c3ccccc3n1Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F03 compound treatment 1.032 1.61E-4 0.0 1.038 0.00977 0.29 0.2076 0.7184 3117678 ChemDiv3_000465 CCN(CC)C(=S)Sc1ncnc2sc3CCCCc3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F04 compound treatment 1.026 -0.00584 -0.17 1.035 0.00677 0.2 0.0221 0.0842 3020494 ChemDiv3_000466 COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c3ccccc3F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F05 compound treatment 1.072 0.0402 1.16 1.058 0.0298 0.88 1.4449 0.9906 3020545 ChemDiv3_000467 C=CCN1C(=O)NC(=O)/C(=C/c2ccco2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F06 compound treatment 1.023 -0.00884 -0.26 1.033 0.00477 0.14 -0.0812 -0.2777 1529101 ChemDiv3_000468 Clc1ccc(NC(NC(=O)c2ccccc2)C(=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F07 compound treatment 1.026 -0.00584 -0.17 1.039 0.0108 0.32 0.1057 0.293 1408295 ChemDiv3_000469 Clc1ccc(OCC(=O)CC(=O)c2ccc(Cl)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F08 compound treatment 1.031 -8.39E-4 -0.02 1.023 -0.00523 -0.15 -0.1264 -0.8083 1428920 ChemDiv3_000470 Cc1cc(C)c(OCC(O)CNC(C)(C)C)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F09 compound treatment 1.045 0.0132 0.38 1.037 0.00877 0.26 0.453 0.9824 1291361 ChemDiv3_000471 Nc1ccc(cc1)C(=O)OCc2nc3cc4ccccc4cc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F10 compound treatment 1.006 -0.0258 -0.75 1.022 -0.00623 -0.18 -0.6593 -0.8555 1234670 ChemDiv3_000472 CCOC(=O)c1oc2ccccc2c1CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F11 compound treatment 0.988 -0.0438 -1.27 0.99 -0.0382 -1.13 -1.6969 -0.9983 1627155 ChemDiv3_000473 CN1C(=O)C(O)N(C1=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F12 compound treatment 1.017 -0.0148 -0.43 0.985 -0.0432 -1.28 -1.2076 -0.8956 3020546 ChemDiv3_000474 COc1ccc(/C=C/2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F13 compound treatment 1.043 0.0112 0.32 1.04 0.0118 0.35 0.4747 0.9993 3117679 ChemDiv3_000475 CCN1/C(=C\2/SC(=S)N(CC=C)C2=O)/Sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F14 compound treatment 1.028 -0.00384 -0.11 1.03 0.00177 0.05 -0.0415 -0.3377 3117681 ChemDiv3_000476 Cc1ccc(cc1)C2(CC3CC4CC(C3)(C2)C(=O)NC5=NCCS5)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F15 compound treatment 1.034 0.00216 0.06 1.035 0.00677 0.2 0.1859 0.8858 1673178 ChemDiv3_000477 COc1cc(cc(OC)c1OC)C2SC(C)C(=O)N2CCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F16 compound treatment 1.087 0.0552 1.6 1.067 0.0388 1.15 1.9402 0.9868 3117682 ChemDiv3_000478 COC(=O)/C=C/S(=O)(=O)c1ccc(NC(=O)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F17 compound treatment 1.16 0.128 3.71 1.113 0.0848 2.51 4.3969 0.9817 1500308 ChemDiv3_000479 Cc1ccc2c(=O)cc(oc2c1)c3ccc(F)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F18 compound treatment 1.085 0.0532 1.54 1.05 0.0218 0.64 1.5439 0.9252 3020547 ChemDiv3_000480 CC(=C1C(=NN(C1=O)c2ccccc2)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F19 compound treatment 1.064 0.0322 0.93 1.071 0.0428 1.26 1.5529 0.9887 1047176 ChemDiv3_000481 CCOC(=O)c1cc[nH]c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F20 compound treatment 1.036 0.00416 0.12 1.022 -0.00623 -0.18 -0.0449 -0.2043 3117683 ChemDiv3_000482 O=C1NC(=O)C(=Cc2cn(Cc3ccccc3)c4ccccc24)C(=O)N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F21 compound treatment 1.035 0.00316 0.09 1.029 7.74E-4 0.02 0.0809 0.8575 3020548 ChemDiv3_000483 c1cc2cc(oc2s1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F22 compound treatment 1.364 0.332 9.62 1.291 0.263 7.77 12.2958 0.9944 1488230 ChemDiv3_000484 COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F23 mock treatment 1.034 0.00216 0.06 1.037 0.00877 0.26 0.2277 0.8532 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 F24 mock treatment 1.057 0.0252 0.73 1.064 0.0358 1.06 1.2632 0.9835 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G01 compound treatment 1.03 -0.00184 -0.05 1.03 0.00177 0.05 -6.0E-4 -0.0075 1360606 ChemDiv3_000485 CC(C)C(=O)Oc1cc(OC(=O)C(C)C)c2ccccc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G02 compound treatment 1.019 -0.0128 -0.37 1.018 -0.0102 -0.3 -0.4767 -0.9947 1922577 ChemDiv3_000486 Cc1[nH]c(=S)[nH]c1C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G03 compound treatment 1.019 -0.0128 -0.37 1.02 -0.00823 -0.24 -0.4349 -0.9788 1463550 ChemDiv3_000487 Fc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G04 compound treatment 1.059 0.0272 0.79 1.05 0.0218 0.64 1.0114 0.9951 3020549 ChemDiv3_000488 COc1ccc(/C=C\2/SC(=S)N(C)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G05 compound treatment 1.029 -0.00284 -0.08 1.029 7.74E-4 0.02 -0.0419 -0.4915 3117684 ChemDiv3_000489 O=C/1/C(=C/c2ccccn2)/CC\C1=C/c3ccccn3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G06 compound treatment 1.036 0.00416 0.12 1.045 0.0168 0.5 0.4359 0.8541 1021484 ChemDiv3_000490 O=C1CSC(N1Cc2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G07 compound treatment 1.026 -0.00584 -0.17 1.027 -0.00123 -0.04 -0.1452 -0.8396 1308794 ChemDiv3_000491 Nc1ncc(s1)c2cc3ccccc3oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G08 compound treatment 1.015 -0.0168 -0.49 1.035 0.00677 0.2 -0.2032 -0.3854 1604550 ChemDiv3_000492 CCN1CCCC1CNC(=O)c2cc(NC(=O)C)c(cc2OC)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G09 compound treatment 1.023 -0.00884 -0.26 1.021 -0.00723 -0.21 -0.3321 -0.996 3020550 ChemDiv3_000493 Cn/1cccc\c1=N\c2cccc[n+]2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G10 compound treatment 1.046 0.0142 0.41 1.028 -2.26E-4 -0.01 0.2853 0.6955 3020551 ChemDiv3_000494 Cc1ccc(/C=N/c2cccc(Cl)c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G11 compound treatment 1.021 -0.0108 -0.31 1.007 -0.0212 -0.63 -0.6657 -0.9487 1452502 ChemDiv3_000495 Cc1cc(Nc2ccc(Cl)cc2)n3c4ccccc4nc3c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G12 compound treatment 1.036 0.00416 0.12 1.004 -0.0242 -0.72 -0.4213 -0.58 1609352 ChemDiv3_000496 Nc1ccc2[nH]c(nc2c1)c3ccccc3c4nc5cc(N)ccc5[nH]4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G13 compound treatment 1.02 -0.0118 -0.34 1.017 -0.0112 -0.33 -0.4771 -0.9999 3117685 ChemDiv3_000497 Cc1ccc(NS(=O)(=O)c2cc(ccc2Br)C(=O)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G14 compound treatment 1.021 -0.0108 -0.31 1.021 -0.00723 -0.21 -0.373 -0.9824 1253750 ChemDiv3_000498 COc1ccc(cc1)N(C2SC(=O)N(C2=O)c3ccccc3)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G15 compound treatment 1.023 -0.00884 -0.26 1.017 -0.0112 -0.33 -0.4157 -0.9918 3020552 ChemDiv3_000499 Cc1nc2ccc3nc(NC(=O)c4ccccc4C)sc3c2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G16 compound treatment 1.005 -0.0268 -0.78 1.008 -0.0202 -0.6 -0.9725 -0.9916 3117686 ChemDiv3_000500 CCOc1ccc(cc1)[n+]2c(cn3CCCCCc32)c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G17 compound treatment 1.029 -0.00284 -0.08 1.033 0.00477 0.14 0.0417 0.2552 1162912 ChemDiv3_000501 CCc1ccc(cc1)c2nc3ccccc3c(=O)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G18 compound treatment 1.043 0.0112 0.32 1.041 0.0128 0.38 0.4956 0.997 1671355 ChemDiv3_000502 O=C(Oc1ccc2cc(OC(=O)c3ccccc3)ccc2c1)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G19 compound treatment 1.052 0.0202 0.58 1.031 0.00277 0.08 0.4709 0.7986 1168078 ChemDiv3_000503 COC(=O)C1=C(C)NC(=O)NC1c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G20 compound treatment 1.052 0.0202 0.58 1.044 0.0158 0.47 0.7427 0.9938 1591511 ChemDiv3_000504 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G21 compound treatment 0.998 -0.0338 -0.98 0.995 -0.0332 -0.98 -1.3876 -1.0 1660119 ChemDiv3_000505 CCOC(=O)c1c(NC(=O)c2ccccc2C(=O)O)sc3CCCCc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G22 compound treatment 1.027 -0.00484 -0.14 1.031 0.00277 0.08 -0.0411 -0.2531 1447109 ChemDiv3_000506 CC(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G23 mock treatment 1.035 0.00316 0.09 1.012 -0.0162 -0.48 -0.2745 -0.562 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 G24 mock treatment 1.079 0.0472 1.37 1.084 0.0558 1.65 2.1318 0.9956 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H01 compound treatment 1.009 -0.0228 -0.66 1.033 0.00477 0.14 -0.3679 -0.544 1421806 ChemDiv3_000507 Nc1sc(c(Cc2ccccc2)c1C(=O)O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H02 compound treatment 1.021 -0.0108 -0.31 1.037 0.00877 0.26 -0.0385 -0.0946 3020553 ChemDiv3_000508 Cc1ccc2n(CC=C)c(=O)n(CC=C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H03 compound treatment 1.036 0.00416 0.12 1.032 0.00377 0.11 0.1641 0.9993 3117687 ChemDiv3_000509 Clc1ccccc1/C=C/C=N/c2ccc(cc2)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H04 compound treatment 1.075 0.0432 1.25 1.087 0.0588 1.74 2.1126 0.9869 1282292 ChemDiv3_000510 CC(C)CNP(=O)(OC1CC(C)CCC1C(C)C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H05 compound treatment 1.023 -0.00884 -0.26 1.023 -0.00523 -0.15 -0.2903 -0.9708 3020554 ChemDiv3_000511 CN1C(=O)N(C)C(=O)C(=CNC2(CC3CC4CC(C3)C2)C4)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H06 compound treatment 1.038 0.00616 0.18 1.01 -0.0182 -0.54 -0.2549 -0.449 1916294 ChemDiv3_000512 O=C(NC(Sc1ncccn1)C(=O)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H07 compound treatment 1.119 0.0872 2.52 1.123 0.0948 2.8 3.7663 0.9986 1433778 ChemDiv3_000513 OC(=O)CSc1nc2ccccc2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H08 compound treatment 1.027 -0.00484 -0.14 1.043 0.0148 0.44 0.2098 0.4573 1920143 ChemDiv3_000514 Sc1n[n+]2c(cc(nc2s1)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H09 compound treatment 1.003 -0.0288 -0.84 0.994 -0.0342 -1.01 -1.3061 -0.9955 3020555 ChemDiv3_000515 Nc1cc(N)cc(c1)C(=O)OCN2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H10 compound treatment 1.004 -0.0278 -0.81 0.997 -0.0312 -0.92 -1.2229 -0.9977 3117688 ChemDiv3_000516 O=C(NCc1ccccc1)/C(=C\c2ccccc2)/NC(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H11 compound treatment 1.017 -0.0148 -0.43 1.023 -0.00523 -0.15 -0.4131 -0.9046 3117689 ChemDiv3_000517 CCN1/C(=C\2/N(C(=S)N(C)C2=O)c3ccccc3)/C=Cc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H12 compound treatment 1.032 1.61E-4 0.0 1.028 -2.26E-4 -0.01 -0.0014 -0.174 1591023 ChemDiv3_000518 CC(=O)Nc1ccc(NS(=O)(=O)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H13 compound treatment 1.014 -0.0178 -0.52 1.03 0.00177 0.05 -0.3282 -0.6321 3020556 ChemDiv3_000519 CC/C(=C\c1sc2ccc(OC)cc2[n+]1CC)/SCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H14 compound treatment 1.019 -0.0128 -0.37 1.02 -0.00823 -0.24 -0.4349 -0.9788 1680898 ChemDiv3_000520 S=C(NC1CCCCC1)C2(CC3CC4CC(C3)CC2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H15 compound treatment 1.038 0.00616 0.18 1.03 0.00177 0.05 0.1633 0.8778 1183680 ChemDiv3_000521 Clc1ccccc1NC(=O)c2cc3ccccc3oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H16 compound treatment 1.016 -0.0158 -0.46 1.034 0.00577 0.17 -0.2036 -0.4161 1868581 ChemDiv3_000522 Nc1cc(=O)[nH]c(SCC=C)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H17 compound treatment 1.02 -0.0118 -0.34 1.035 0.00677 0.2 -0.1008 -0.2539 1530765 ChemDiv3_000523 CC(C)(O)C1(CC2CC3C1)CC(C2)(C3)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H18 compound treatment 1.132 0.1 2.9 1.091 0.0628 1.86 3.3635 0.9767 1142850 ChemDiv3_000524 CC1(C)CC(C)(O)P(=O)(O1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H19 compound treatment 1.037 0.00516 0.15 1.024 -0.00423 -0.12 0.0173 0.089 1258965 ChemDiv3_000525 COC(OC)(C(=O)c1ccccc1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H20 compound treatment 1.062 0.0302 0.87 1.043 0.0148 0.44 0.9265 0.9487 1712075 ChemDiv3_000526 Nc1ccc(cc1)C(=O)Nc2ccc(O)c(c2)c3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H21 compound treatment 1.042 0.0102 0.29 1.052 0.0238 0.7 0.7051 0.9253 3020557 ChemDiv3_000527 CC(C)(C)N/C=C\1/C=C(SC1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H22 compound treatment 1.065 0.0332 0.96 1.062 0.0338 1.0 1.3852 0.9998 1374190 ChemDiv3_000528 COc1ccc(CC(CC(=O)O)C(=O)Nc2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H23 mock treatment 1.035 0.00316 0.09 1.021 -0.00723 -0.21 -0.0863 -0.3714 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 H24 mock treatment 1.074 0.0422 1.22 1.062 0.0338 1.0 1.5695 0.995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I01 compound treatment 1.015 -0.0168 -0.49 1.022 -0.00623 -0.18 -0.475 -0.9113 1677573 ChemDiv3_000529 CN1C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I02 compound treatment 1.027 -0.00484 -0.14 1.018 -0.0102 -0.3 -0.3129 -0.9389 1561089 ChemDiv3_000530 C1C2CC3CC1CC(C2)(C3)c4coc(n4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I03 compound treatment 1.018 -0.0138 -0.4 1.009 -0.0192 -0.57 -0.6853 -0.9854 1284188 ChemDiv3_000531 CN(C)c1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I04 compound treatment 1.014 -0.0178 -0.52 1.014 -0.0142 -0.42 -0.6627 -0.9948 3020558 ChemDiv3_000532 O=C/1N(CNc2ccccc2)C(=S)S\C1=C\c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I05 compound treatment 1.042 0.0102 0.29 1.038 0.00977 0.29 0.4124 1.0 3117690 ChemDiv3_000533 O=C/1/C(=C/c2cc3ccccc3o2)/CC\C1=C/c4cc5ccccc5o4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I06 compound treatment 1.014 -0.0178 -0.52 1.023 -0.00523 -0.15 -0.4746 -0.8801 1740048 ChemDiv3_000534 Cc1ccc(cc1C)C2(CC3CC4CC(CN)(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I07 compound treatment 1.03 -0.00184 -0.05 1.01 -0.0182 -0.54 -0.4187 -0.7732 3117691 ChemDiv3_000535 CC(C)C1CCC(C)/C(=C\c2ccc(N)cc2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I08 compound treatment 1.027 -0.00484 -0.14 1.035 0.00677 0.2 0.0425 0.174 3020559 ChemDiv3_000536 Cc1cccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I09 compound treatment 1.013 -0.0188 -0.55 1.014 -0.0142 -0.42 -0.6832 -0.9917 3117692 ChemDiv3_000537 Cn1c(c2ccc3ccccc3n2)[n+](C)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I10 compound treatment 1.042 0.0102 0.29 1.018 -0.0102 -0.3 -0.0057 -0.0135 3020560 ChemDiv3_000538 Cc1ccc(/C=N/c2cccc3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I11 compound treatment 1.018 -0.0138 -0.4 1.028 -2.26E-4 -0.01 -0.2881 -0.7188 3117694 ChemDiv3_000539 CC(C)c1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I12 compound treatment 1.084 0.0522 1.51 1.089 0.0608 1.8 2.3388 0.9963 1294664 ChemDiv3_000540 O=S(=O)(N1CCCc2ccccc12)c3ccc4ccccc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I13 compound treatment 1.01 -0.0218 -0.63 1.009 -0.0192 -0.57 -0.8492 -0.9986 3020561 ChemDiv3_000541 CCOc1c(NC(=O)c2ccc(N)cc2)cc(NC(=O)c3ccc(N)cc3)cc1C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I14 compound treatment 0.939 -0.0928 -2.69 0.965 -0.0632 -1.87 -3.223 -0.9842 1029333 ChemDiv3_000542 COc1ccc(cc1)S(=O)(=O)c2ccc(OC)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I15 compound treatment 1.042 0.0102 0.29 1.01 -0.0182 -0.54 -0.173 -0.2817 3117695 ChemDiv3_000543 Cc1ccc(cc1)N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c4cccc(Cl)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I16 compound treatment 1.021 -0.0108 -0.31 1.041 0.0128 0.38 0.0451 0.0918 3020562 ChemDiv3_000544 COc1ccc(cc1)C(=O)C[n+]2cc(c3ccc(OC)cc3)n4CCCCCc42 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I17 compound treatment 1.043 0.0112 0.32 1.031 0.00277 0.08 0.2866 0.8593 1434553 ChemDiv3_000545 CCc1ccc(cc1)C(=O)Nc2ccc(Br)cn2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I18 compound treatment 1.032 1.61E-4 0.0 1.022 -0.00623 -0.18 -0.1269 -0.6889 3117696 ChemDiv3_000546 OC1=C(C(N(C1=O)c2ccccc2)c3ccccc3)C(=O)/C=C/c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I19 compound treatment 1.017 -0.0148 -0.43 1.024 -0.00423 -0.12 -0.3922 -0.8764 1267294 ChemDiv3_000547 COc1ccc(cc1)N(CN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I20 compound treatment 1.019 -0.0128 -0.37 1.023 -0.00523 -0.15 -0.3722 -0.9243 1626144 ChemDiv3_000548 CC(C)C1CCC(=C(Cc2ccc(OC(=O)c3ccccc3)cc2)C1=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I21 compound treatment 1.016 -0.0158 -0.46 1.021 -0.00723 -0.21 -0.4754 -0.9395 3020563 ChemDiv3_000549 Cc1sc(NC(=O)/C=C/C(=O)O)c(C#N)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I22 compound treatment 1.025 -0.00684 -0.2 1.028 -2.26E-4 -0.01 -0.1448 -0.7305 1738105 ChemDiv3_000550 CNC(=O)C1OC(C)(OC1C(=O)NC)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I23 mock treatment 1.033 0.00116 0.03 1.018 -0.0102 -0.3 -0.19 -0.6246 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 I24 mock treatment 1.014 -0.0178 -0.52 1.025 -0.00323 -0.1 -0.4327 -0.8237 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J01 compound treatment 1.01 -0.0218 -0.63 1.013 -0.0152 -0.45 -0.7655 -0.9861 3020564 ChemDiv3_000551 COc1ccccc1NC(=O)c2c(/N=C/c3c(O)ccc4ccccc34)cnn2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J02 compound treatment 1.038 0.00616 0.18 1.011 -0.0172 -0.51 -0.234 -0.4335 3117697 ChemDiv3_000552 FC(F)(F)c1nc2cc(Cl)ccc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J03 compound treatment 1.009 -0.0228 -0.66 1.012 -0.0162 -0.48 -0.8069 -0.9876 1921072 ChemDiv3_000553 Clc1cccc(/C=N/c2ccc(cc2)N3CCOCC3)c1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J04 compound treatment 1.059 0.0272 0.79 1.05 0.0218 0.64 1.0114 0.9951 1215794 ChemDiv3_000554 Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4o3)nc2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J05 compound treatment 1.022 -0.00984 -0.28 1.006 -0.0222 -0.66 -0.6661 -0.93 3020627 ChemDiv3_000555 CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J06 compound treatment 1.017 -0.0148 -0.43 1.021 -0.00723 -0.21 -0.4549 -0.948 1612444 ChemDiv3_000556 O=C(NCn1ccc(=O)[nH]c1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J07 compound treatment 1.026 -0.00584 -0.17 1.034 0.00577 0.17 0.0012 0.0048 1318279 ChemDiv3_000557 S=C(N1CCOCC1)c2nc3ccccc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J08 compound treatment 1.028 -0.00384 -0.11 1.024 -0.00423 -0.12 -0.167 -0.9983 1916211 ChemDiv3_000558 CC(=O)N[N+]1=C(N)c2ccccc2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J09 compound treatment 0.997 -0.0348 -1.01 1.014 -0.0142 -0.42 -1.0109 -0.9247 3020628 ChemDiv3_000559 Cc1c(/C=C/2\SC(=NC2=O)c3ccccc3)c(=O)n(c4ccccc4)n1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J10 compound treatment 1.023 -0.00884 -0.26 1.013 -0.0152 -0.45 -0.4993 -0.9642 1181384 ChemDiv3_000560 CCN(CC)Cn1c(=S)oc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J11 compound treatment 1.027 -0.00484 -0.14 1.014 -0.0142 -0.42 -0.3965 -0.8944 1918939 ChemDiv3_000561 CCn1c(C)nc2cc(ccc12)S(=O)(=O)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J12 compound treatment 1.018 -0.0138 -0.4 1.019 -0.00923 -0.27 -0.4763 -0.9824 1013703 ChemDiv3_000562 OC(=O)CNc1ccc(cc1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J13 compound treatment 1.123 0.0912 2.64 1.134 0.106 3.13 4.0782 0.9965 3117698 ChemDiv3_000563 COc1ccc2cc(C(=O)NC(=O)C)/c(=N/c3ccccc3)/oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J14 compound treatment 1.013 -0.0188 -0.55 1.022 -0.00623 -0.18 -0.5159 -0.8961 1005380 ChemDiv3_000564 O=C(Oc1cccc2ccccc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J15 compound treatment 1.016 -0.0158 -0.46 1.018 -0.0102 -0.3 -0.5381 -0.9795 1320959 ChemDiv3_000565 Cc1ccccc1NC(=O)CN2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J16 compound treatment 1.173 0.141 4.09 1.175 0.147 4.34 5.9593 0.9996 3117699 ChemDiv3_000566 Cc1cccc(/C=N/c2ccc(cc2)c3nc4cc(C)c(C)cc4o3)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J17 compound treatment 1.022 -0.00984 -0.28 1.039 0.0108 0.32 0.0238 0.0556 1212050 ChemDiv3_000567 OC1(C2CC3CC(C2)CC1C3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J18 compound treatment 1.155 0.123 3.57 1.133 0.105 3.1 4.7126 0.9975 1521008 ChemDiv3_000568 CCN(CC)P1(=O)OC(C)(C)CC1(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J19 compound treatment 1.023 -0.00884 -0.26 1.017 -0.0112 -0.33 -0.4157 -0.9918 1778430 ChemDiv3_000569 CCN1C(=O)/C(=C\2/C=Cc3ccccc3N2CC)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J20 compound treatment 1.105 0.0732 2.12 1.106 0.0778 2.3 3.1242 0.9992 1147350 ChemDiv3_000570 Clc1cccc(NCN2C(=O)CCC2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J21 compound treatment 1.03 -0.00184 -0.05 1.045 0.0168 0.5 0.313 0.6276 3020629 ChemDiv3_000571 CN(C)/C=C\1/C=C(SC1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J22 compound treatment 1.039 0.00716 0.21 1.011 -0.0172 -0.51 -0.2135 -0.3882 3117701 ChemDiv3_000572 CC(CC(=O)Nc1ccccc1I)Cc2cc(C)cc(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J23 mock treatment 1.041 0.00916 0.27 1.029 7.74E-4 0.02 0.2038 0.7653 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 J24 mock treatment 1.017 -0.0148 -0.43 1.024 -0.00423 -0.12 -0.3922 -0.8764 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K01 compound treatment 1.044 0.0122 0.35 1.025 -0.00323 -0.1 0.1816 0.4977 3020630 ChemDiv3_000573 Brc1ccc(/C=N/c2nnc(NC(=O)/C=C/c3ccccc3)s2)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K02 compound treatment 1.003 -0.0288 -0.84 1.032 0.00377 0.11 -0.5117 -0.6072 1679209 ChemDiv3_000574 O=C(CSC#N)C1(CC2CC3CC(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K03 compound treatment 1.055 0.0232 0.67 1.041 0.0128 0.38 0.7414 0.9631 1307245 ChemDiv3_000575 CCN(CC)c1ccc(cc1)C2C3=C(CC(C)(C)CC3=O)OC4=C2C(=O)CC(C)(C)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K04 compound treatment 1.009 -0.0228 -0.66 1.004 -0.0242 -0.72 -0.9742 -0.9992 3020631 ChemDiv3_000576 FC(F)(F)C(=O)N(CN1C(=O)c2ccccc2C1=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K05 compound treatment 1.012 -0.0198 -0.57 1.0 -0.0282 -0.83 -0.9964 -0.9834 3117702 ChemDiv3_000577 COC(=O)CNC(c1ccccc1)c2cc(Br)ccc2/N=C/c3ccccc3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K06 compound treatment 1.022 -0.00984 -0.28 1.029 7.74E-4 0.02 -0.1853 -0.6482 3020632 ChemDiv3_000578 CC(=C)C(=O)Nc1ccc2C(=O)NC(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K07 compound treatment 1.143 0.111 3.22 1.111 0.0828 2.45 4.0069 0.9908 3117703 ChemDiv3_000579 CC(C)C1CCC(C)/C(=C\c2ccc(cc2)N(C)C)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K08 compound treatment 1.036 0.00416 0.12 1.03 0.00177 0.05 0.1223 0.9306 3020633 ChemDiv3_000580 COc1ccc(/C=C/2\Cc3ccccc3C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K09 compound treatment 1.032 1.61E-4 0.0 1.028 -2.26E-4 -0.01 -0.0014 -0.174 3020634 ChemDiv3_000581 C[n+]1cc(cc2ccccc12)c3ccc4ccccc4n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K10 compound treatment 1.022 -0.00984 -0.28 1.016 -0.0122 -0.36 -0.4571 -0.9931 3117704 ChemDiv3_000582 CC(=O)Nc1ccc(/N=C/c2ccc(C)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K11 compound treatment 1.027 -0.00484 -0.14 1.022 -0.00623 -0.18 -0.2292 -0.9909 1317973 ChemDiv3_000583 CC(=O)NS(=O)(=O)c1ccc(Br)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K12 compound treatment 1.021 -0.0108 -0.31 1.038 0.00977 0.29 -0.0176 -0.0413 1685696 ChemDiv3_000584 COCc1cc(C)nc(N2CCOCC2)c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K13 compound treatment 1.053 0.0212 0.61 1.085 0.0568 1.68 1.6203 0.9067 1680270 ChemDiv3_000585 CCCCN1CCN(CC1)c2nc(c3ccccc3)c4cc(C)ccc4n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K14 compound treatment 1.031 -8.39E-4 -0.02 1.058 0.0298 0.88 0.6053 0.6873 3020635 ChemDiv3_000586 COC(=O)Oc1cc2oc(=O)sc2cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K15 compound treatment 1.022 -0.00984 -0.28 1.023 -0.00523 -0.15 -0.3107 -0.9587 3117705 ChemDiv3_000587 COc1ccc(cc1)C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K16 compound treatment 1.033 0.00116 0.03 1.004 -0.0242 -0.72 -0.4827 -0.6732 1915086 ChemDiv3_000588 OCCNC(=S)Nc1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K17 compound treatment 1.049 0.0172 0.5 1.037 0.00877 0.26 0.5349 0.954 3020636 ChemDiv3_000589 CCc1ccc(cc1)C(=O)Nc2nccs2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K18 compound treatment 1.024 -0.00784 -0.23 1.04 0.0118 0.35 0.0856 0.206 1362496 ChemDiv3_000590 O=C(Nn1cnc2ccccc2c1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K19 compound treatment 1.034 0.00216 0.06 1.03 0.00177 0.05 0.0814 0.9961 3117706 ChemDiv3_000591 NC(=O)C[n+]1cccc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K20 compound treatment 1.022 -0.00984 -0.28 1.023 -0.00523 -0.15 -0.3107 -0.9587 3117707 ChemDiv3_000592 C/C(=N\N)/c1c(c2ccccc2)c3cc(Br)ccc3[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K21 compound treatment 0.993 -0.0388 -1.12 0.981 -0.0472 -1.4 -1.7827 -0.9943 1318329 ChemDiv3_000593 OCC1(CC2CC3C1)CC(CO)(C2)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K22 compound treatment 1.001 -0.0308 -0.89 1.006 -0.0222 -0.66 -1.0962 -0.9886 1110839 ChemDiv3_000594 OC(=O)c1ccccc1C(=O)OCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K23 mock treatment 1.005 -0.0268 -0.78 1.014 -0.0142 -0.42 -0.847 -0.9584 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 K24 mock treatment 1.032 1.61E-4 0.0 1.024 -0.00423 -0.12 -0.085 -0.6802 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L01 compound treatment 1.006 -0.0258 -0.75 1.022 -0.00623 -0.18 -0.6593 -0.8555 1272387 ChemDiv3_000595 CC(=O)Nc1ccc(NC(=O)c2ccnn2C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L02 compound treatment 1.024 -0.00784 -0.23 1.014 -0.0142 -0.42 -0.4579 -0.9581 3020637 ChemDiv3_000596 C(Sc1nnc(o1)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L03 compound treatment 1.016 -0.0158 -0.46 1.029 7.74E-4 0.02 -0.3082 -0.671 3117708 ChemDiv3_000597 COC(=O)c1ccc(/C=N/c2ccc3oc(nc3c2)c4cccc(OC)c4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L04 compound treatment 1.041 0.00916 0.27 1.021 -0.00723 -0.21 0.0365 0.1073 3020638 ChemDiv3_000598 Cc1csc2nc(CSc3ccc(Cl)cc3)c(Br)n12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L05 compound treatment 1.143 0.111 3.22 1.128 0.0998 2.95 4.3623 0.999 3117709 ChemDiv3_000599 CC(=O)NC(=O)c/1cc2ccccc2o\c1=N/c3ccc(cc3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L06 compound treatment 1.04 0.00816 0.24 1.011 -0.0172 -0.51 -0.193 -0.3437 3020639 ChemDiv3_000600 S=c1cc[nH]c(=S)n1c2nc(sc2c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L07 compound treatment 1.035 0.00316 0.09 1.043 0.0148 0.44 0.3736 0.8371 3117710 ChemDiv3_000601 CC(=O)N1CCc2cc(/N=C/c3ccc(Cl)cc3)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L08 compound treatment 1.038 0.00616 0.18 1.018 -0.0102 -0.3 -0.0876 -0.2496 3020640 ChemDiv3_000602 Cc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L09 compound treatment 1.014 -0.0178 -0.52 1.015 -0.0132 -0.39 -0.6418 -0.9906 3117711 ChemDiv3_000603 Cc1n[nH]c(C)c1Sc2ccccc2/N=C/c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L10 compound treatment 1.016 -0.0158 -0.46 1.032 0.00377 0.11 -0.2454 -0.5199 1663127 ChemDiv3_000604 CC(C)OC(=O)C1=C(C)NC(=S)NC1c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L11 compound treatment 1.012 -0.0198 -0.57 1.009 -0.0192 -0.57 -0.8082 -1.0 1238798 ChemDiv3_000605 CC[N+]1=C(C)C(C)(C)c2cc(ccc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L12 compound treatment 1.01 -0.0218 -0.63 1.025 -0.00323 -0.1 -0.5147 -0.8046 3117713 ChemDiv3_000606 Brc1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c32)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L13 compound treatment 1.008 -0.0238 -0.69 1.023 -0.00523 -0.15 -0.5974 -0.8445 1507618 ChemDiv3_000607 COc1ccc2oc(=N)c(cc2c1)c3nc4ccccc4[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L14 compound treatment 1.016 -0.0158 -0.46 0.993 -0.0352 -1.04 -1.0608 -0.9321 3020641 ChemDiv3_000608 CNc1ncnc(S)c1N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L15 compound treatment 1.019 -0.0128 -0.37 1.041 0.0128 0.38 0.0041 0.0078 1703537 ChemDiv3_000609 O=C(CN1C(=O)c2ccccc2C1=O)Nc3nccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L16 compound treatment 1.02 -0.0118 -0.34 1.027 -0.00123 -0.04 -0.2681 -0.7775 3117714 ChemDiv3_000610 Oc1ccc(Cl)cc1/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L17 compound treatment 1.036 0.00416 0.12 1.043 0.0148 0.44 0.3941 0.8697 1529335 ChemDiv3_000611 OC(=O)C=C1C2CC3CC(C2)CC1C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L18 compound treatment 1.04 0.00816 0.24 1.048 0.0198 0.58 0.5805 0.9206 3117715 ChemDiv3_000612 Clc1ccccc1/C=C\2/SC(=O)N(C2=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L19 compound treatment 1.019 -0.0128 -0.37 1.033 0.00477 0.14 -0.1631 -0.4101 3117716 ChemDiv3_000613 CCOc1ccc(/C=C(\NC(=O)c2ccccc2)/C(=O)NC)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L20 compound treatment 1.114 0.0822 2.38 1.101 0.0728 2.15 3.204 0.9987 3020642 ChemDiv3_000614 COc1cccc2ccc(Cl)nc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L21 compound treatment 1.011 -0.0208 -0.6 1.021 -0.00723 -0.21 -0.5778 -0.9025 3020643 ChemDiv3_000615 CN/C=C\1/C=C(SC1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L22 compound treatment 1.007 -0.0248 -0.72 1.009 -0.0192 -0.57 -0.9106 -0.9932 3117717 ChemDiv3_000616 N#CCC(c1ccccc1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L23 mock treatment 1.027 -0.00484 -0.14 1.022 -0.00623 -0.18 -0.2292 -0.9909 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 L24 mock treatment 1.531 0.499 14.46 1.48 0.452 13.36 19.667 0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M01 compound treatment 1.02 -0.0118 -0.34 1.007 -0.0212 -0.63 -0.6862 -0.9596 1490670 ChemDiv3_000617 O=C(Oc1ccccc1)Oc2ccc3oc(=O)sc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M02 compound treatment 1.013 -0.0188 -0.55 1.008 -0.0202 -0.6 -0.8086 -0.999 3117718 ChemDiv3_000618 Cc1ccc(Oc2ccc(C)c(C)c2)cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M03 compound treatment 1.037 0.00516 0.15 1.065 0.0368 1.09 0.8745 0.7968 1380597 ChemDiv3_000619 COc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCc52 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M04 compound treatment 1.033 0.00116 0.03 1.009 -0.0192 -0.57 -0.3782 -0.6641 3020644 ChemDiv3_000620 FC(F)(F)C(=O)N(CN1C(=O)CCC1=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M05 compound treatment 1.032 1.61E-4 0.0 1.039 0.0108 0.32 0.2286 0.7174 1629777 ChemDiv3_000621 Nc1ccc(Br)cc1C(O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M06 compound treatment 1.004 -0.0278 -0.81 0.998 -0.0302 -0.89 -1.202 -0.9987 3117719 ChemDiv3_000622 CNc1cc(NC)c2ncnc3-c4ccccc4C(=O)c1c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M07 compound treatment 1.019 -0.0128 -0.37 1.013 -0.0152 -0.45 -0.5812 -0.9955 3020645 ChemDiv3_000623 CC(C)C1CCC(C)/C(=C/c2ccc(NC(=O)CCC(=O)O)cc2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M08 compound treatment 0.711 -0.321 -9.29 0.725 -0.303 -8.97 -12.9096 -0.9998 1472960 ChemDiv3_000624 COc1ccc2CN(C(=O)c2c1OC)c3nnc[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M09 compound treatment 1.07 0.0382 1.11 1.052 0.0238 0.7 1.2785 0.9761 3020646 ChemDiv3_000625 CC(=O)n1c2ccccc2c3cc(Br)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M10 compound treatment 0.986 -0.0458 -1.33 0.994 -0.0342 -1.01 -1.6542 -0.991 3117720 ChemDiv3_000626 COc1ccc(/C=N/c2cccc(Cl)c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M11 compound treatment 1.021 -0.0108 -0.31 0.995 -0.0332 -0.98 -0.9166 -0.8888 1922766 ChemDiv3_000627 Oc1ccccc1/C=N/c2ccc(cc2)c3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M12 compound treatment 0.986 -0.0458 -1.33 1.016 -0.0122 -0.36 -1.1943 -0.868 3020648 ChemDiv3_000628 CCN1C(=C(C#N)C#N)C=Cc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M13 compound treatment 1.018 -0.0138 -0.4 1.006 -0.0222 -0.66 -0.7481 -0.9719 1708776 ChemDiv3_000629 C1CC[N+]2(C1)CCN(CC2)c3ncccn3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M14 compound treatment 1.004 -0.0278 -0.81 1.014 -0.0142 -0.42 -0.8675 -0.954 1728722 ChemDiv3_000630 COc1ccc(cc1)N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M15 compound treatment 1.008 -0.0238 -0.69 1.004 -0.0242 -0.72 -0.9947 -0.9998 3020649 ChemDiv3_000631 COc1cccc(/N=C\c2c[nH]c3ccccc23)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M16 compound treatment 1.027 -0.00484 -0.14 1.037 0.00877 0.26 0.0843 0.2861 3117721 ChemDiv3_000632 Brc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)/C=C/c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M17 compound treatment 1.074 0.0422 1.22 1.046 0.0178 0.53 1.235 0.929 1294702 ChemDiv3_000633 C1CCCN(CC1)c2nc(nc(n2)N3CCCCCC3)N4CCCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M18 compound treatment 1.018 -0.0138 -0.4 1.037 0.00877 0.26 -0.1 -0.2094 3117722 ChemDiv3_000634 Brc1ccc(NC(=O)Nc2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M19 compound treatment 1.002 -0.0298 -0.86 1.0 -0.0282 -0.83 -1.2011 -0.9998 1311944 ChemDiv3_000635 c1c(nc2ccccn12)c3ccc(cc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M20 compound treatment 1.082 0.0502 1.45 1.09 0.0618 1.83 2.3187 0.9936 1216291 ChemDiv3_000636 OCCNC(=S)NC1(CC2CC3CC(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M21 compound treatment 1.048 0.0162 0.47 1.01 -0.0182 -0.54 -0.0501 -0.0702 1664260 ChemDiv3_000637 OC(=O)c1cc(ccc1O)C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M22 compound treatment 1.012 -0.0198 -0.57 1.015 -0.0132 -0.39 -0.6828 -0.9824 3020650 ChemDiv3_000638 Fc1ccccc1C(=O)Nc2cc(ccc2Br)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M23 mock treatment 1.013 -0.0188 -0.55 1.009 -0.0192 -0.57 -0.7877 -0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 M24 mock treatment 1.006 -0.0258 -0.75 1.022 -0.00623 -0.18 -0.6593 -0.8555 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N01 compound treatment 1.004 -0.0278 -0.81 1.009 -0.0192 -0.57 -0.972 -0.9854 3020651 ChemDiv3_000639 Cn1nccc1C(=O)Nc2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N02 compound treatment 0.988 -0.0438 -1.27 0.998 -0.0302 -0.89 -1.5297 -0.9852 3117723 ChemDiv3_000640 COC(=O)CSc1nnc(o1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N03 compound treatment 0.994 -0.0378 -1.1 1.006 -0.0222 -0.66 -1.2395 -0.9701 3117724 ChemDiv3_000641 COc1cc(Br)cc(/C=N/c2cccc(c2)c3nc4ccccc4o3)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N04 compound treatment 1.009 -0.0228 -0.66 0.996 -0.0322 -0.95 -1.1414 -0.9841 1628862 ChemDiv3_000642 CCOC(=O)c1csc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N05 compound treatment 1.03 -0.00184 -0.05 1.028 -2.26E-4 -0.01 -0.0424 -0.7896 1290427 ChemDiv3_000643 CC(=O)Oc1ccccc1N(C(=O)C)S(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N06 compound treatment 1.01 -0.0218 -0.63 1.007 -0.0212 -0.63 -0.891 -1.0 1570356 ChemDiv3_000644 CC(C)(C)C(=O)Nc1c(Cl)sc2nccc(=O)n12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N07 compound treatment 1.012 -0.0198 -0.57 1.015 -0.0132 -0.39 -0.6828 -0.9824 3020698 ChemDiv3_000645 CC(=O)N1CCc2cc(/N=C/c3ccc(O)cc3)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N08 compound treatment 1.029 -0.00284 -0.08 1.016 -0.0122 -0.36 -0.3137 -0.8463 3020699 ChemDiv3_000646 CN(C)/C=C/c1cc(=S)c2ccccc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N09 compound treatment 1.006 -0.0258 -0.75 1.011 -0.0172 -0.51 -0.8893 -0.9824 1598396 ChemDiv3_000647 CSc1nnc-2c(OC(Nc3ccccc32)C4CCC(=CC4)C)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N10 compound treatment 1.041 0.00916 0.27 1.019 -0.00923 -0.27 -0.0053 -0.0139 3020700 ChemDiv3_000648 Oc1ccc(/C=C/2\SC(=S)N(CCc3ccccc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N11 compound treatment 1.0 -0.0318 -0.92 1.0 -0.0282 -0.83 -1.2421 -0.9988 3020701 ChemDiv3_000649 CN1/C(=C/C=C/c2oc3ccccc3[n+]2C)/Oc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N12 compound treatment 1.004 -0.0278 -0.81 1.0 -0.0282 -0.83 -1.1602 -0.9999 3117725 ChemDiv3_000650 Clc1ccc(/C=N/C(=O)CC#N)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N13 compound treatment 1.01 -0.0218 -0.63 1.014 -0.0142 -0.42 -0.7446 -0.9804 1340722 ChemDiv3_000651 N=c1oc2ccc3ccccc3c2cc1C(=O)Nc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N14 compound treatment 1.005 -0.0268 -0.78 0.995 -0.0332 -0.98 -1.2442 -0.9933 3117726 ChemDiv3_000652 COc1cc(/C=C\2/SC(=S)N(CC=C)C2=O)ccc1OC(=O)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N15 compound treatment 0.999 -0.0328 -0.95 0.999 -0.0292 -0.86 -1.2835 -0.9989 3020702 ChemDiv3_000653 CC1=N/C(=C/c2cccnc2)/C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N16 compound treatment 1.046 0.0142 0.41 1.029 7.74E-4 0.02 0.3062 0.7454 3117727 ChemDiv3_000654 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)/Sc4cc(NC(=O)C)ccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N17 compound treatment 1.019 -0.0128 -0.37 1.03 0.00177 0.05 -0.2258 -0.6014 1208186 ChemDiv3_000655 OC(=O)c1cc(nc2ccc(Br)cc12)C3(CC4CC5CC(C4)C3)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N18 compound treatment 1.018 -0.0138 -0.4 1.009 -0.0192 -0.57 -0.6853 -0.9854 3020703 ChemDiv3_000656 CCN1C(=O)/C(=C\C(=C\c2ccccc2)\C)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N19 compound treatment 1.005 -0.0268 -0.78 1.015 -0.0132 -0.39 -0.8261 -0.9495 3020704 ChemDiv3_000657 CN1C(=O)/C(=C\Nc2ccccc2)/C=C1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N20 compound treatment 1.002 -0.0298 -0.86 1.021 -0.00723 -0.21 -0.7621 -0.8561 3117728 ChemDiv3_000658 Cc1cccc(c1)N2C(=O)/C(=C\3/C(=O)Nc4ccccc34)/SC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N21 compound treatment 1.011 -0.0208 -0.6 1.034 0.00577 0.17 -0.306 -0.4879 1544837 ChemDiv3_000659 Cc1cc(=O)nc(SCc2nc3ccccc3[nH]2)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N22 compound treatment 1.009 -0.0228 -0.66 1.003 -0.0252 -0.75 -0.9951 -0.9982 1021435 ChemDiv3_000660 Nc1ccc(NS(=O)(=O)c2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N23 mock treatment 1.003 -0.0288 -0.84 1.009 -0.0192 -0.57 -0.9925 -0.9824 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 N24 mock treatment 1.022 -0.00984 -0.28 1.008 -0.0202 -0.6 -0.6243 -0.9425 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O01 compound treatment 1.016 -0.0158 -0.46 1.025 -0.00323 -0.1 -0.3918 -0.8362 1913320 ChemDiv3_000661 O=C(Oc1ccccc1)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O02 compound treatment 1.02 -0.0118 -0.34 1.035 0.00677 0.2 -0.1008 -0.2539 3020705 ChemDiv3_000662 Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O03 compound treatment 1.027 -0.00484 -0.14 1.026 -0.00223 -0.07 -0.1456 -0.9406 3117729 ChemDiv3_000663 CCOc1ccc(N/C=N/c2ccc(OCC)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O04 compound treatment 1.066 0.0342 0.99 1.064 0.0358 1.06 1.4475 0.9994 1253491 ChemDiv3_000664 N#CCCN(Cn1c2ccccc2c3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O05 compound treatment 1.021 -0.0108 -0.31 1.02 -0.00823 -0.24 -0.3939 -0.992 1678987 ChemDiv3_000665 Cc1ccc2nc(cc(C(=O)NCc3ccccc3)c2c1)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O06 compound treatment 1.029 -0.00284 -0.08 1.029 7.74E-4 0.02 -0.0419 -0.4915 1464157 ChemDiv3_000666 Cc1cc(C)c(cc1C(=O)c2ccccc2)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O07 compound treatment 1.055 0.0232 0.67 1.063 0.0348 1.03 1.2013 0.9786 1645442 ChemDiv3_000667 CCOC(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O08 compound treatment 1.034 0.00216 0.06 1.047 0.0188 0.56 0.4368 0.7819 1026640 ChemDiv3_000668 Nc1ccccc1CC(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O09 compound treatment 1.022 -0.00984 -0.28 1.037 0.00877 0.26 -0.018 -0.0468 1267081 ChemDiv3_000669 CCN(CC)S(=O)(=O)c1cc(ccc1C)C(=O)Nc2ccccc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O10 compound treatment 1.013 -0.0188 -0.55 1.02 -0.00823 -0.24 -0.5578 -0.9337 3117730 ChemDiv3_000670 CCOc1ccc(/C=N/c2ccc3sc(C)nc3c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O11 compound treatment 1.018 -0.0138 -0.4 1.031 0.00277 0.08 -0.2254 -0.551 3020706 ChemDiv3_000671 CC(C)(C)c1cc(c2OCN(CC(=O)O)Cc2c1)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O12 compound treatment 1.028 -0.00384 -0.11 1.037 0.00877 0.26 0.1048 0.3714 3117731 ChemDiv3_000672 CCN(CC)c1ccc2cc(C(=O)N)/c(=N/c3ccc(F)cc3)/oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O13 compound treatment 1.029 -0.00284 -0.08 1.03 0.00177 0.05 -0.021 -0.2157 3020707 ChemDiv3_000673 Clc1ccc2nc(Cl)cc(c3ccccc3)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O14 compound treatment 1.013 -0.0188 -0.55 1.011 -0.0172 -0.51 -0.7459 -0.9994 3117732 ChemDiv3_000674 Cc1cccc(C)c1OC(=O)Cc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O15 compound treatment 1.024 -0.00784 -0.23 1.03 0.00177 0.05 -0.1234 -0.5298 3020708 ChemDiv3_000675 C(=N/c1cccc2ccccc12)/c3c[nH]c4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O16 compound treatment 1.312 0.28 8.11 1.32 0.292 8.63 11.8372 0.9995 1675948 ChemDiv3_000676 OC(=O)C(NC(=O)c1ccc(F)cc1)C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O17 compound treatment 1.034 0.00216 0.06 1.044 0.0158 0.47 0.374 0.7949 1019063 ChemDiv3_000677 CC(C)(C)c1ccc(O)c(N)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O18 compound treatment 1.017 -0.0148 -0.43 1.029 7.74E-4 0.02 -0.2877 -0.6685 1676074 ChemDiv3_000678 OC(=O)C1CCC(CC1)c2ccc(cc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O19 compound treatment 1.032 1.61E-4 0.0 1.024 -0.00423 -0.12 -0.085 -0.6802 3020709 ChemDiv3_000679 CC(C(=O)c1ccccc1)[n+]2cccc(Br)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O20 compound treatment 1.019 -0.0128 -0.37 1.035 0.00677 0.2 -0.1213 -0.2872 1276194 ChemDiv3_000680 CC1(CC2CC3C1)CC(C2)(C3)NC(=O)c4ccc(Cl)cc4Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O21 compound treatment 1.036 0.00416 0.12 1.057 0.0288 0.85 0.6868 0.7993 1695393 ChemDiv3_000681 O=C(N1CCOCC1)C2(CC3CC4C2)CC(C3)(C4)C(=O)N5CCOCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O22 compound treatment 1.03 -0.00184 -0.05 1.05 0.0218 0.64 0.4176 0.6464 1315761 ChemDiv3_000682 CCN(CC)S(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O23 mock treatment 1.026 -0.00584 -0.17 1.038 0.00977 0.29 0.0848 0.2532 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 O24 mock treatment 1.033 0.00116 0.03 1.031 0.00277 0.08 0.0818 0.9225 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P01 compound treatment 1.009 -0.0228 -0.66 1.014 -0.0142 -0.42 -0.7651 -0.9761 1316678 ChemDiv3_000683 O=C(c1ccccc1)C2(CN3CN4CN(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P02 compound treatment 1.032 1.61E-4 0.0 1.028 -2.26E-4 -0.01 -0.0014 -0.174 3117733 ChemDiv3_000684 CC(C)OC(=O)CSc1nnc(o1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P03 compound treatment 1.036 0.00416 0.12 1.032 0.00377 0.11 0.1641 0.9993 1919584 ChemDiv3_000685 Oc1ccccc1/C=N/c2ccc3oc(nc3c2)c4cccc(I)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P04 compound treatment 1.035 0.00316 0.09 1.008 -0.0202 -0.6 -0.3581 -0.592 3020710 ChemDiv3_000686 OCCNC(=O)c1cc[n+](CC(=O)c2cccs2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P05 compound treatment 1.011 -0.0208 -0.6 1.023 -0.00523 -0.15 -0.536 -0.8604 1512305 ChemDiv3_000687 O=C(Oc1ccccc1N(C(=O)c2ccccc2)S(=O)(=O)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P06 compound treatment 1.05 0.0182 0.53 1.042 0.0138 0.41 0.6599 0.992 3020711 ChemDiv3_000688 Cc1ccc(/N=C/c2cn(nc2c3ccccc3)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P07 compound treatment 1.024 -0.00784 -0.23 1.023 -0.00523 -0.15 -0.2698 -0.9824 1010956 ChemDiv3_000689 FC(F)(F)C(=O)Nc1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P08 compound treatment 1.018 -0.0138 -0.4 1.026 -0.00223 -0.07 -0.3299 -0.8123 3117734 ChemDiv3_000690 CC(C)C1CCC(C)CC1OC(=O)Cn2c[n+](C)c3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P09 compound treatment 1.049 0.0172 0.5 1.043 0.0148 0.44 0.6603 0.9979 3020712 ChemDiv3_000691 OC(=O)CCn1c(SCCOc2ccccc2)nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P10 compound treatment 1.045 0.0132 0.38 1.028 -2.26E-4 -0.01 0.2648 0.6946 3117735 ChemDiv3_000692 Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)/SC2=S)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P11 compound treatment 1.05 0.0182 0.53 1.049 0.0208 0.61 0.8062 0.997 3020713 ChemDiv3_000693 COc1cc2sc(C)nc2c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P12 compound treatment 1.027 -0.00484 -0.14 1.024 -0.00423 -0.12 -0.1874 -0.9984 3117736 ChemDiv3_000694 CC1(CCC2(CC(=O)c3ccccc3)CC1)CC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P13 compound treatment 1.041 0.00916 0.27 1.043 0.0148 0.44 0.4965 0.9714 3020714 ChemDiv3_000695 Nc1c(C#N)c(C(=O)c2ccc(Br)cc2)n3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P14 compound treatment 1.032 1.61E-4 0.0 1.025 -0.00323 -0.1 -0.0641 -0.6717 3117737 ChemDiv3_000696 CCNc1nc(F)cc(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P15 compound treatment 1.036 0.00416 0.12 1.019 -0.00923 -0.27 -0.1077 -0.361 1476541 ChemDiv3_000697 OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P16 compound treatment 0.976 -0.0558 -1.62 0.942 -0.0862 -2.55 -2.9462 -0.9759 1722951 ChemDiv3_000698 C1CCC2(C1)Cc3ccccc3-c4nnc(c5ccccc5)n42 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P17 compound treatment 1.035 0.00316 0.09 1.034 0.00577 0.17 0.1855 0.9573 3117738 ChemDiv3_000699 CCC(O)(CC)C1(CC2CC3CC(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P18 compound treatment 1.043 0.0112 0.32 1.066 0.0378 1.12 1.0183 0.8758 1912570 ChemDiv3_000700 Cc1ccc(CCS(=O)(=O)c2ccc(cc2)C(C)(C)C)c[n+]1CC(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P19 compound treatment 1.029 -0.00284 -0.08 1.031 0.00277 0.08 -1.0E-4 -0.0011 3020715 ChemDiv3_000701 CN/C=C\1/C=C(N(C)C1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P20 compound treatment 1.042 0.0102 0.29 1.033 0.00477 0.14 0.3079 0.9434 3117739 ChemDiv3_000702 COc1ccc(/C=C\2/SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P21 compound treatment 1.096 0.0642 1.86 1.103 0.0748 2.21 2.8772 0.9963 3020716 ChemDiv3_000703 COc1ccc(OCCSc2ncnc3[nH]cnc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P22 compound treatment 1.022 -0.00984 -0.28 1.042 0.0138 0.41 0.0865 0.174 1343334 ChemDiv3_000704 COC(=O)C1=C(C)NC2=C(C1c3ccncc3)C(=O)CC(C)(C)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P23 mock treatment 1.038 0.00616 0.18 1.034 0.00577 0.17 0.2469 0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2002 P24 mock treatment 1.044 0.0122 0.35 1.019 -0.00923 -0.27 0.0562 0.1261 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A01 compound treatment 1.007 -0.0249 -0.72 1.026 -0.00572 -0.17 -0.6295 -0.85 1487428 ChemDiv3_000705 CCOC(=O)C1=C(CC)NC2=C(C1c3ccc(Cl)cc3)C(=O)CCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A02 compound treatment 0.999 -0.0329 -0.95 0.99 -0.0417 -1.23 -1.546 -0.9918 1295860 ChemDiv3_000706 Ic1ccc(NC(=O)COc2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A03 compound treatment 1.006 -0.0259 -0.75 0.998 -0.0337 -1.0 -1.2354 -0.9901 1077646 ChemDiv3_000707 Clc1ccc2Sc3ccccc3N(CCC#N)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A04 compound treatment 1.026 -0.0059 -0.17 1.017 -0.0147 -0.44 -0.4286 -0.9165 3117740 ChemDiv3_000708 FC(F)(F)Oc1ccc(cc1)N2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A05 compound treatment 1.0 -0.0319 -0.92 0.994 -0.0377 -1.12 -1.4419 -0.9956 3020717 ChemDiv3_000709 NC(=S)N1C(CCN1c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A06 compound treatment 1.006 -0.0259 -0.75 0.996 -0.0357 -1.06 -1.2772 -0.9859 1443291 ChemDiv3_000710 OCCc1ccc(s1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A07 compound treatment 1.056 0.0241 0.7 1.023 -0.00872 -0.26 0.3112 0.4182 3117741 ChemDiv3_000711 CCN(N(CC)S(=O)(=O)c1ccc(C)cc1)C2=NS(=O)(=O)c3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A08 compound treatment 1.003 -0.0289 -0.84 1.018 -0.0137 -0.41 -0.8787 -0.9448 3020718 ChemDiv3_000712 COc1ccccc1/N=C/c2ccsc2S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A09 compound treatment 1.038 0.0061 0.18 1.022 -0.00972 -0.29 -0.0783 -0.232 1233664 ChemDiv3_000713 O=C(CCN1C(=O)c2ccccc2C1=O)NCc3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A10 compound treatment 1.021 -0.0109 -0.32 1.014 -0.0177 -0.52 -0.5937 -0.9705 1914325 ChemDiv3_000714 NC(=N)SCCS(=O)(=O)c1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A11 compound treatment 1.015 -0.0169 -0.49 1.014 -0.0177 -0.52 -0.7166 -0.9994 1506625 ChemDiv3_000715 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A12 compound treatment 0.994 -0.0379 -1.1 1.009 -0.0227 -0.67 -1.2511 -0.9723 1069326 ChemDiv3_000716 FC(F)(F)c1ccccc1NC(=O)c2ccccc2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A13 compound treatment 1.011 -0.0209 -0.61 0.998 -0.0337 -1.0 -1.133 -0.9714 1446136 ChemDiv3_000717 COc1ccc(NC(=O)C2CSC(C)(C)N2C=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A14 compound treatment 0.986 -0.0459 -1.33 0.993 -0.0387 -1.14 -1.7495 -0.9972 3020719 ChemDiv3_000718 COc1ccc(/C=N/c2nc3ccccc3n2Cc4ccc(Cl)cc4)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A15 compound treatment 1.028 -0.0039 -0.11 1.027 -0.00472 -0.14 -0.1786 -0.9944 1718021 ChemDiv3_000719 COC(=O)c1cc(Cl)c(NC(=S)NC(=O)C(C)(C)C)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A16 compound treatment 1.0 -0.0319 -0.92 1.01 -0.0217 -0.64 -1.1074 -0.9842 3117742 ChemDiv3_000720 CN(C)c1ccc(/C=N/c2nc3ccccc3n2Cc4ccc(C)cc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A17 compound treatment 1.015 -0.0169 -0.49 1.008 -0.0237 -0.7 -0.842 -0.9845 1339224 ChemDiv3_000721 COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A18 compound treatment 0.991 -0.0409 -1.18 0.981 -0.0507 -1.5 -1.898 -0.9932 1054488 ChemDiv3_000722 Cc1cc(C)n(n1)S(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A19 compound treatment 1.037 0.0051 0.15 1.043 0.0113 0.33 0.3402 0.933 1779183 ChemDiv3_000723 CC(C)COC(=O)CNc1n[nH]c(=O)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A20 compound treatment 0.996 -0.0359 -1.04 1.01 -0.0217 -0.64 -1.1893 -0.9732 3117743 ChemDiv3_000724 CCOc1cc(/C=C/2\Sc3ccccc3C2=O)cc(I)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A21 compound treatment 1.009 -0.0229 -0.66 1.012 -0.0197 -0.58 -0.8812 -0.9979 1646638 ChemDiv3_000725 COC(=O)C(Cc1ccc(O)cc1)NC(=O)c2ccccc2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A22 compound treatment 1.035 0.0031 0.09 1.016 -0.0157 -0.46 -0.2652 -0.56 1624682 ChemDiv3_000726 COC(=O)c1ccccc1NC(=O)CCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A23 mock treatment 1.02 -0.0119 -0.34 1.008 -0.0237 -0.7 -0.7396 -0.9464 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 A24 mock treatment 1.029 -0.0029 -0.08 1.005 -0.0267 -0.79 -0.618 -0.7778 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B01 compound treatment 0.99 -0.0419 -1.21 0.996 -0.0357 -1.06 -1.6048 -0.9976 1725673 ChemDiv3_000727 CCc1ccc(cc1)C2C(=C(C)NC3=C2C(=O)CCC3)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B02 compound treatment 0.996 -0.0359 -1.04 1.019 -0.0127 -0.38 -1.0011 -0.9055 3117744 ChemDiv3_000728 CN1C(=O)/C(=C\2/SC(=S)N(NC(=O)C)C2=O)/c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B03 compound treatment 1.005 -0.0269 -0.78 1.011 -0.0207 -0.61 -0.9841 -0.9929 3020720 ChemDiv3_000729 Cc1cccc(c1)C(=O)Oc2ccc(C)c(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B04 compound treatment 0.999 -0.0329 -0.95 1.014 -0.0177 -0.52 -1.0442 -0.9604 1254173 ChemDiv3_000730 Cc1ccccc1OCCn2c(SCc3nc4ccccc4[nH]3)nc5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B05 compound treatment 0.954 -0.0779 -2.26 0.943 -0.0887 -2.62 -3.4501 -0.9972 3020816 ChemDiv3_000731 C1CCC2CC(OCC2C1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B06 compound treatment 0.999 -0.0329 -0.95 0.983 -0.0487 -1.44 -1.6923 -0.9798 3117745 ChemDiv3_000732 Cc1ccc(cc1)S(=O)(=O)/N=C(/NC(=S)Nc2ccccc2)\c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B07 compound treatment 0.996 -0.0359 -1.04 1.0 -0.0317 -0.94 -1.3983 -0.9987 3020817 ChemDiv3_000733 CCN(CC)C(=O)CSc1nnc(o1)c2ccccc2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B08 compound treatment 1.017 -0.0149 -0.43 1.021 -0.0107 -0.32 -0.5293 -0.9885 3117746 ChemDiv3_000734 CC(=O)NC(=O)c/1cc2c(ccc3ccccc32)o\c1=N/c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B09 compound treatment 1.016 -0.0159 -0.46 0.995 -0.0367 -1.09 -1.0933 -0.927 1423328 ChemDiv3_000735 OC(CNCc1ccccc1)Cn2c3ccc(Cl)cc3c4cc(Cl)ccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B10 compound treatment 0.996 -0.0359 -1.04 1.008 -0.0237 -0.7 -1.2311 -0.9817 1240251 ChemDiv3_000736 Cc1c(Cl)cccc1NC(=O)c2cccnc2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B11 compound treatment 1.018 -0.0139 -0.4 1.014 -0.0177 -0.52 -0.6551 -0.9915 3020818 ChemDiv3_000737 CCOc1ccc-2c(c1)C(=O)c3cc(OCC)ccc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B12 compound treatment 1.025 -0.0069 -0.2 0.988 -0.0437 -1.29 -1.0553 -0.8068 1727003 ChemDiv3_000738 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc3sc(SC)nc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B13 compound treatment 0.993 -0.0389 -1.13 1.002 -0.0297 -0.88 -1.418 -0.9925 1740255 ChemDiv3_000739 Cc1ccc(cc1)S(=O)(=O)N2CCN(C2c3ccccc3)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B14 compound treatment 0.986 -0.0459 -1.33 0.986 -0.0457 -1.35 -1.8958 -1.0 3020819 ChemDiv3_000740 CC1(C)CC(=S)C=C(C1)N2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B15 compound treatment 0.99 -0.0419 -1.21 1.001 -0.0307 -0.91 -1.5003 -0.9898 1741101 ChemDiv3_000741 Clc1cc2sc(=O)oc2cc1OC(=O)NC3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B16 compound treatment 1.01 -0.0219 -0.63 1.002 -0.0297 -0.88 -1.0698 -0.9872 3117538 ChemDiv3_000742 COc1ccc(OC)c(/N=C/c2cc(I)cc(C)c2O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B17 compound treatment 0.999 -0.0329 -0.95 1.01 -0.0217 -0.64 -1.1278 -0.9816 3117539 ChemDiv3_000743 CCOc1ccc(cc1)N2C(=O)S/C(=C/3\C(=O)Nc4ccccc34)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B18 compound treatment 1.006 -0.0259 -0.75 0.993 -0.0387 -1.14 -1.3399 -0.979 1455599 ChemDiv3_000744 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)Nc2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B19 compound treatment 1.123 0.0911 2.64 1.112 0.0803 2.37 3.5439 0.9986 1507311 ChemDiv3_000745 CC(C)CN(CC(C)C)C(=O)c1cc2ccccc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B20 compound treatment 0.956 -0.0759 -2.2 0.955 -0.0767 -2.27 -3.1583 -0.9999 3117540 ChemDiv3_000746 CCN1C(=O)/C(=C/Nc2ccccc2)/OC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B21 compound treatment 1.028 -0.0039 -0.11 1.029 -0.00272 -0.08 -0.1367 -0.9863 1429235 ChemDiv3_000747 CCOc1ccc(NC(=O)CCOc2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B22 compound treatment 1.003 -0.0289 -0.84 1.015 -0.0167 -0.49 -0.9414 -0.9685 1159158 ChemDiv3_000748 O=C1CC(CC(=C1)NCc2ccco2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B23 mock treatment 1.033 0.0011 0.03 1.046 0.0143 0.42 0.3211 0.7585 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 B24 mock treatment 0.999 -0.0329 -0.95 1.006 -0.0257 -0.76 -1.2115 -0.9938 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C01 compound treatment 1.034 0.0021 0.06 1.034 0.00228 0.07 0.0907 0.9988 1611722 ChemDiv3_000749 CCOC(=O)C1=C(CC)NC2=C(C1c3ccccc3OCC)C(=O)CCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C02 compound treatment 1.026 -0.0059 -0.17 1.037 0.00528 0.16 -0.0105 -0.0452 1332565 ChemDiv3_000750 CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C03 compound treatment 1.029 -0.0029 -0.08 1.023 -0.00872 -0.26 -0.2417 -0.8911 1451908 ChemDiv3_000751 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN(C)C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C04 compound treatment 1.033 0.0011 0.03 1.052 0.0203 0.6 0.4465 0.7437 2112223 ChemDiv3_000752 O=c1oc2ccccc2cc1c3cn4c(n3)sc5ccccc54 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C05 compound treatment 1.033 0.0011 0.03 1.017 -0.0147 -0.44 -0.2852 -0.6534 1471012 ChemDiv3_000753 S=C(Nc1ccccc1)N2CCCN2c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C06 compound treatment 1.015 -0.0169 -0.49 1.015 -0.0167 -0.49 -0.6957 -1.0 1915139 ChemDiv3_000754 NC(C(=O)O)c1ccc(CCCC(=O)O)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C07 compound treatment 1.126 0.0941 2.73 1.132 0.1 2.96 4.0235 0.9991 1351042 ChemDiv3_000755 O=C(Nc1ccccc1)Nc2ccc3OCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C08 compound treatment 1.027 -0.0049 -0.14 1.038 0.00628 0.19 0.0309 0.1325 3020820 ChemDiv3_000756 CN(/C=C\1/C=C(C)SC1=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C09 compound treatment 1.039 0.0071 0.21 1.023 -0.00872 -0.26 -0.0369 -0.1119 3117541 ChemDiv3_000757 Clc1ccc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C10 compound treatment 1.034 0.0021 0.06 1.221 0.189 5.6 4.0002 0.7148 1673647 ChemDiv3_000758 O=C1CC(OC21CCCCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C11 compound treatment 1.015 -0.0169 -0.49 1.023 -0.00872 -0.26 -0.5284 -0.9553 1920609 ChemDiv3_000759 FC(F)(F)c1ccccc1NC(=O)NC2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C12 compound treatment 1.029 -0.0029 -0.08 1.035 0.00328 0.1 0.0092 0.0716 1187258 ChemDiv3_000760 O=C(N(CC#N)CC#N)c1ccc(cc1)C(=O)N(CC#N)CC#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C13 compound treatment 1.031 -8.97E-4 -0.03 1.034 0.00228 0.07 0.0292 0.4051 1351252 ChemDiv3_000761 CC(C)C(=O)Oc1ccc2c(c1)oc(=O)c3ccccc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C14 compound treatment 1.012 -0.0199 -0.58 1.018 -0.0137 -0.41 -0.6944 -0.9853 3117542 ChemDiv3_000762 Clc1ccc(Cn2c(/N=C/c3ccc4OCOc4c3)nc5ccccc25)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C15 compound treatment 1.035 0.0031 0.09 1.027 -0.00472 -0.14 -0.0352 -0.212 1648199 ChemDiv3_000763 Nc1c(C#N)c2nc3ccccc3nc2n1c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C16 compound treatment 1.022 -0.0099 -0.29 1.007 -0.0247 -0.73 -0.7196 -0.9164 3117543 ChemDiv3_000764 Cc1ccc(Cn2c(/N=C/c3ccc(Br)cc3)nc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C17 compound treatment 1.036 0.0041 0.12 1.008 -0.0237 -0.7 -0.412 -0.5791 3020844 ChemDiv3_000765 CN(Cc1ccccc1)C(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C18 compound treatment 1.06 0.0281 0.81 1.054 0.0223 0.66 1.0412 0.9945 1586578 ChemDiv3_000766 Brc1ccc(cc1)C(=O)COC(=O)C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C19 compound treatment 1.041 0.0091 0.26 1.035 0.00328 0.1 0.2549 0.9076 1919025 ChemDiv3_000767 FC(F)(F)c1cccc(NC(=O)COc2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C20 compound treatment 1.038 0.0061 0.18 1.038 0.00628 0.19 0.2562 0.9997 3020845 ChemDiv3_000768 NNC(=O)c1ccc(/C=N\O)nc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C21 compound treatment 1.027 -0.0049 -0.14 1.028 -0.00372 -0.11 -0.1781 -0.9922 3020846 ChemDiv3_000769 Brc1ccc(NC(=O)/C=C/c2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C22 compound treatment 1.034 0.0021 0.06 1.045 0.0133 0.39 0.3206 0.8072 1510082 ChemDiv3_000770 OC(=O)CCC(=O)NCc1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C23 mock treatment 1.032 1.03E-4 0.0 1.033 0.00128 0.04 0.0288 0.7609 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 C24 mock treatment 1.042 0.0101 0.29 1.03 -0.00172 -0.05 0.1709 0.5753 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D01 compound treatment 1.018 -0.0139 -0.4 1.02 -0.0117 -0.35 -0.5297 -0.9972 1123230 ChemDiv3_000771 Oc1ccccc1N2C(=O)C3CC=CCC3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D02 compound treatment 1.023 -0.0089 -0.26 1.031 -7.24E-4 -0.02 -0.1973 -0.7632 1485584 ChemDiv3_000772 CCN(CC)c1ccc(NC(=O)C(C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D03 compound treatment 1.03 -0.0019 -0.05 1.037 0.00528 0.16 0.0715 0.4321 3020847 ChemDiv3_000773 O=C(NN1C(=O)CSC1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D04 compound treatment 1.032 1.03E-4 0.0 1.017 -0.0147 -0.44 -0.3057 -0.7022 3117544 ChemDiv3_000774 C(CSc1nc2ccccc2[nH]1)CN3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D05 compound treatment 1.018 -0.0139 -0.4 1.021 -0.0107 -0.32 -0.5088 -0.993 1778456 ChemDiv3_000775 OC(=O)CC(Sc1nc2sc3CCCCc3c2c(=O)[nH]1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D06 compound treatment 1.026 -0.0059 -0.17 1.03 -0.00172 -0.05 -0.1568 -0.8798 3020848 ChemDiv3_000776 FC(F)(F)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D07 compound treatment 1.038 0.0061 0.18 1.028 -0.00372 -0.11 0.0471 0.2263 3020849 ChemDiv3_000777 Cc1sc(Nc2ccccc2F)nc1c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D08 compound treatment 1.041 0.0091 0.26 1.025 -0.00672 -0.2 0.0458 0.1388 1364991 ChemDiv3_000778 Brc1cccc(c1)c2nnc(o2)c3cc4ccccc4oc3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D09 compound treatment 1.019 -0.0129 -0.37 1.016 -0.0157 -0.46 -0.5928 -0.9941 3117545 ChemDiv3_000779 CCOC(=O)c1c(/N=c/2\oc3ccc4ccccc4c3cc2C(=O)N)sc5CCCCc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D10 compound treatment 1.007 -0.0249 -0.72 1.018 -0.0137 -0.41 -0.7968 -0.963 1665286 ChemDiv3_000780 CN1CCN(CC1)NC(=O)c2ccc(cc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D11 compound treatment 1.073 0.0411 1.19 1.063 0.0313 0.92 1.4956 0.9922 1652224 ChemDiv3_000781 COC(=O)COc1ccc-2c(c1)C(=NO)c3cc(OCC(=O)OC)ccc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D12 compound treatment 1.027 -0.0049 -0.14 1.012 -0.0197 -0.58 -0.5126 -0.8542 1235358 ChemDiv3_000782 CCC1Nc2ccccc2-c3nnc(SC)nc3O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D13 compound treatment 1.017 -0.0149 -0.43 1.03 -0.00172 -0.05 -0.3411 -0.7852 1443634 ChemDiv3_000783 OC(=O)C1C2CC=CC2c3cc(Cl)cc4C5C=CCC5CN1c43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D14 compound treatment 1.033 0.0011 0.03 1.029 -0.00272 -0.08 -0.0344 -0.3965 3020850 ChemDiv3_000784 Fc1cccc(c1)C2=N/C(=C\c3cccc4ccccc34)/C(=O)O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D15 compound treatment 1.011 -0.0209 -0.61 1.015 -0.0167 -0.49 -0.7776 -0.995 1569541 ChemDiv3_000785 CCOC(=O)c1cnn(c1N(C(=O)c2ccccc2F)C(=O)c3ccccc3F)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D16 compound treatment 1.031 -8.97E-4 -0.03 1.021 -0.0107 -0.32 -0.2426 -0.7625 3020851 ChemDiv3_000786 CC(=O)Nc1cccc(/N=C/c2cc(I)cc(C)c2O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D17 compound treatment 1.029 -0.0029 -0.08 1.032 2.76E-4 0.01 -0.0535 -0.6354 1355069 ChemDiv3_000787 CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D18 compound treatment 1.032 1.03E-4 0.0 1.028 -0.00372 -0.11 -0.0757 -0.6876 1626307 ChemDiv3_000788 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D19 compound treatment 1.079 0.0471 1.36 1.083 0.0513 1.52 2.0366 0.9986 3117546 ChemDiv3_000789 Cc1cc(C)c(C(=O)NCC=C)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D20 compound treatment 1.036 0.0041 0.12 1.035 0.00328 0.1 0.1525 0.9948 3117547 ChemDiv3_000790 CCN1/C(=C\2/C(=NN(C2=O)c3ccccc3)C)/C=Cc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D21 compound treatment 1.039 0.0071 0.21 1.036 0.00428 0.13 0.2349 0.9727 1388884 ChemDiv3_000791 O=C(CCOc1ccccc1)NCc2ccco2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D22 compound treatment 1.059 0.0271 0.78 1.051 0.0193 0.57 0.958 0.9876 3117548 ChemDiv3_000792 COc1ccccc1/C=C/2\SC(=O)N(CCC(=O)N3c4ccccc4Sc5ccccc35)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D23 mock treatment 1.077 0.0451 1.31 1.092 0.0603 1.78 2.1838 0.9883 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 D24 mock treatment 1.045 0.0131 0.38 1.03 -0.00172 -0.05 0.2323 0.6067 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E01 compound treatment 1.036 0.0041 0.12 1.037 0.00528 0.16 0.1943 0.991 1583492 ChemDiv3_000793 COC(=O)C1=C(C)NC2=C(C1c3ccc(cc3)N(C)C)C(=O)CC(C2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E02 compound treatment 1.034 0.0021 0.06 1.034 0.00228 0.07 0.0907 0.9988 1432876 ChemDiv3_000794 CCc1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E03 compound treatment 1.024 -0.0079 -0.23 1.025 -0.00672 -0.2 -0.3023 -0.9976 3117549 ChemDiv3_000795 COc1cccc(/C=C/C(=O)C2C(=O)c3ccccc3C2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E04 compound treatment 1.048 0.0161 0.47 1.041 0.00928 0.27 0.5237 0.968 1606983 ChemDiv3_000796 Oc1cccc(NC(=O)c2c(O)c3ccccc3n(CC=C)c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E05 compound treatment 1.032 1.03E-4 0.0 1.031 -7.24E-4 -0.02 -0.013 -0.6023 1715553 ChemDiv3_000797 Cc1[nH]c2ccc(CN3C(=O)c4ccccc4C3=O)cc2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E06 compound treatment 1.029 -0.0029 -0.08 1.032 2.76E-4 0.01 -0.0535 -0.6354 3020853 ChemDiv3_000798 COC(=O)c1cc(N)c(Cl)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E07 compound treatment 1.104 0.0721 2.09 1.123 0.0913 2.7 3.3848 0.992 1915335 ChemDiv3_000799 FC(F)(F)c1cccc(NC(=O)Nc2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E08 compound treatment 1.029 -0.0029 -0.08 1.025 -0.00672 -0.2 -0.1999 -0.9264 1289585 ChemDiv3_000800 CC1(OC(=O)C2C1C3CCCCC3=C4CCCCC24)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E09 compound treatment 1.033 0.0011 0.03 1.021 -0.0107 -0.32 -0.2016 -0.6326 1304126 ChemDiv3_000801 O=C(N1CC(=O)Nc2ccccc12)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E10 compound treatment 1.03 -0.0019 -0.05 1.031 -7.24E-4 -0.02 -0.054 -0.9156 1265761 ChemDiv3_000802 COc1cc(nc(OC)n1)N2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E11 compound treatment 1.022 -0.0099 -0.29 1.017 -0.0147 -0.44 -0.5105 -0.9794 1735414 ChemDiv3_000803 COC(=O)c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E12 compound treatment 1.261 0.229 6.64 1.321 0.289 8.55 10.7394 0.9921 3020873 ChemDiv3_000804 CN(c1ccccc1)S(=O)(=O)c2c(C)cc(C)cc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E13 compound treatment 1.033 0.0011 0.03 1.027 -0.00472 -0.14 -0.0762 -0.5316 1517748 ChemDiv3_000805 CN(C1CCCCC1)C(=O)COc2ccc(Cl)c(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E14 compound treatment 1.031 -8.97E-4 -0.03 1.021 -0.0107 -0.32 -0.2426 -0.7625 1467248 ChemDiv3_000806 Cc1nc2n(Cc3ccccc3)c4ccccc4n2c1C(=S)Nc5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E15 compound treatment 1.043 0.0111 0.32 1.023 -0.00872 -0.26 0.045 0.1091 1918958 ChemDiv3_000807 Clc1cccc(CC2SC(=N)NC2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E16 compound treatment 1.028 -0.0039 -0.11 1.03 -0.00172 -0.05 -0.1158 -0.9355 3020874 ChemDiv3_000808 CC(/N=C/c1nc2ccccc2n1C)C3(CC4CC5CC(C4)C3)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E17 compound treatment 1.023 -0.0089 -0.26 1.034 0.00228 0.07 -0.1346 -0.5055 3117550 ChemDiv3_000809 Cc1ccc(cc1)C(=O)Nc2cccc(c2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E18 compound treatment 1.028 -0.0039 -0.11 1.037 0.00528 0.16 0.0305 0.1584 3117551 ChemDiv3_000810 COc1ccc(O)c(/C=N/CC(C)\N=C\c2cc(OC)ccc2O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E19 compound treatment 1.036 0.0041 0.12 1.045 0.0133 0.39 0.3616 0.8817 1413824 ChemDiv3_000811 COC(=O)c1ccccc1NC(=O)COc2ccc(OC)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E20 compound treatment 1.043 0.0111 0.32 1.037 0.00528 0.16 0.3377 0.9448 1629872 ChemDiv3_000812 COc1ccccc1C(=O)Nc2ccc3oc(nc3c2)c4ccc5ccccc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E21 compound treatment 1.056 0.0241 0.7 1.045 0.0133 0.39 0.7711 0.9629 1625558 ChemDiv3_000813 COC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E22 compound treatment 1.044 0.0121 0.35 1.041 0.00928 0.27 0.4418 0.9926 1326899 ChemDiv3_000814 COc1ccccc1N2CCN(CC2)C(=O)CCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E23 mock treatment 1.036 0.0041 0.12 1.032 2.76E-4 0.01 0.0898 0.7539 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 E24 mock treatment 1.038 0.0061 0.18 1.025 -0.00672 -0.2 -0.0156 -0.0586 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F01 compound treatment 1.034 0.0021 0.06 1.027 -0.00472 -0.14 -0.0557 -0.3655 1373507 ChemDiv3_000815 OC(=O)C1CC=CCC1C(=O)Nc2ccc(Cc3ccncc3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F02 compound treatment 1.029 -0.0029 -0.08 1.025 -0.00672 -0.2 -0.1999 -0.9264 3020875 ChemDiv3_000816 O=C(NC1CCCC1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F03 compound treatment 1.034 0.0021 0.06 1.028 -0.00372 -0.11 -0.0348 -0.2764 1442394 ChemDiv3_000817 O=C(NCCc1ccccc1)c2ccccc2CN3C(=O)c4ccccc4C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F04 compound treatment 1.019 -0.0129 -0.37 1.027 -0.00472 -0.14 -0.3629 -0.91 3020876 ChemDiv3_000818 FC(F)(F)c1nc2ccccc2n1CCOc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F05 compound treatment 1.042 0.0101 0.29 1.028 -0.00372 -0.11 0.129 0.4128 3117552 ChemDiv3_000819 O=C(N/C(=C/c1ccccc1)/S(=O)(=O)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F06 compound treatment 1.021 -0.0109 -0.32 1.027 -0.00472 -0.14 -0.3219 -0.9328 3020877 ChemDiv3_000820 CCOc1ccc(cc1Br)C(=O)Nc2cccc(NC(=O)c3ccccc3)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F07 compound treatment 1.015 -0.0169 -0.49 1.027 -0.00472 -0.14 -0.4448 -0.874 3117553 ChemDiv3_000821 O=C(Nc1ccccc1)c2cnc[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F08 compound treatment 1.02 -0.0119 -0.34 1.011 -0.0207 -0.61 -0.6769 -0.9629 1673072 ChemDiv3_000822 OC(C(=O)Nc1cc(Cl)ccc1Cl)(c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F09 compound treatment 1.04 0.0081 0.23 1.036 0.00428 0.13 0.2553 0.9579 3020878 ChemDiv3_000823 CCN(CC)c1ccc2cc(C(=O)N)/c(=N/c3cccc(C)c3)/oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F10 compound treatment 1.019 -0.0129 -0.37 1.024 -0.00772 -0.23 -0.4256 -0.9721 3117554 ChemDiv3_000824 Fc1ccc(NC(=O)c2cnccn2)c(F)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F11 compound treatment 1.022 -0.0099 -0.29 1.033 0.00128 0.04 -0.176 -0.6088 1470949 ChemDiv3_000825 COc1ccc(cc1)c2ccc(OC)cc2C(=O)NN 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F12 compound treatment 1.051 0.0191 0.55 1.02 -0.0117 -0.35 0.1461 0.2238 1687536 ChemDiv3_000826 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Oc2ccc(C)cc2n3nc4ccccc4n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F13 compound treatment 1.025 -0.0069 -0.2 1.037 0.00528 0.16 -0.0309 -0.122 1365314 ChemDiv3_000827 Clc1ccc2NC(C3CC=CC3c2c1)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F14 compound treatment 1.091 0.0591 1.71 1.081 0.0493 1.46 2.2405 0.9968 1517186 ChemDiv3_000828 Cc1cccc(c1)C(=O)Nc2ccc(NC(=O)c3ccco3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F15 compound treatment 1.027 -0.0049 -0.14 1.032 2.76E-4 0.01 -0.0945 -0.6653 1513840 ChemDiv3_000829 COC(=O)C1=C(C)N(C(=C(C1c2ccccc2)C(=O)OC)C)c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F16 compound treatment 1.051 0.0191 0.55 1.038 0.00628 0.19 0.5224 0.8953 3117555 ChemDiv3_000830 COc1cccc(/C=C\2/C(=O)NN(C2=O)c3ccccc3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F17 compound treatment 1.042 0.0101 0.29 1.027 -0.00472 -0.14 0.1081 0.3335 3020879 ChemDiv3_000831 CS(=O)(=O)NCCc1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F18 compound treatment 1.034 0.0021 0.06 1.002 -0.0297 -0.88 -0.5784 -0.6565 1468720 ChemDiv3_000832 OC(=O)c1ccccc1C(=O)NC=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F19 compound treatment 1.122 0.0901 2.61 1.144 0.112 3.32 4.1925 0.9929 3117556 ChemDiv3_000833 CC(C)c1ccc(/C=C/C(=O)NCC=C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F20 compound treatment 1.059 0.0271 0.78 1.042 0.0103 0.3 0.7699 0.9147 3117557 ChemDiv3_000834 CC(C)CNC=C1C(=O)CC(C)(C)CC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F21 compound treatment 1.03 -0.0019 -0.05 1.025 -0.00672 -0.2 -0.1794 -0.8699 1393505 ChemDiv3_000835 Cc1cc(C)cc(NC(=O)c2cc3ccccc3o2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F22 compound treatment 1.044 0.0121 0.35 1.043 0.0113 0.33 0.4836 0.9997 3117558 ChemDiv3_000836 CN1CCN(CC1)C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)/SC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F23 mock treatment 1.052 0.0201 0.58 1.051 0.0193 0.57 0.8147 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 F24 mock treatment 1.035 0.0031 0.09 1.05 0.0183 0.54 0.4456 0.8135 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G01 compound treatment 1.025 -0.0069 -0.2 1.03 -0.00172 -0.05 -0.1773 -0.86 1690924 ChemDiv3_000837 COC(=O)C1=C(C)NC2=C(C1c3ccccc3)C(=O)CCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G02 compound treatment 1.015 -0.0169 -0.49 1.019 -0.0127 -0.38 -0.612 -0.9916 1254482 ChemDiv3_000838 Cc1ccc(OCC(=O)NCc2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G03 compound treatment 1.016 -0.0159 -0.46 1.023 -0.00872 -0.26 -0.5079 -0.9625 1006818 ChemDiv3_000839 OC(=O)CCCC(=O)c1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G04 compound treatment 1.031 -8.97E-4 -0.03 1.023 -0.00872 -0.26 -0.2008 -0.7744 3117559 ChemDiv3_000840 CC(C)(C)c1ccc(cc1)C(=O)N2CCCc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G05 compound treatment 1.026 -0.0059 -0.17 1.027 -0.00472 -0.14 -0.2195 -0.995 1344674 ChemDiv3_000841 Clc1ccccc1C(=O)c2ccc3OCCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G06 compound treatment 1.026 -0.0059 -0.17 1.033 0.00128 0.04 -0.0941 -0.5379 1914993 ChemDiv3_000842 COC(=O)CCC(=O)c1cc(sc1C(C)(C)C)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G07 compound treatment 1.023 -0.0089 -0.26 1.031 -7.24E-4 -0.02 -0.1973 -0.7632 1342176 ChemDiv3_000843 CC1CCN(Cn2c(=S)oc3ccccc23)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G08 compound treatment 1.015 -0.0169 -0.49 1.031 -7.24E-4 -0.02 -0.3612 -0.7373 1917056 ChemDiv3_000844 FC(F)(F)COc1nc(nc(n1)N2CCCCC2)N(c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G09 compound treatment 1.053 0.0211 0.61 1.04 0.00828 0.24 0.6052 0.9193 1584064 ChemDiv3_000845 Cc1ccccc1OCC(=O)NC(c2ccccc2)c3c(O)ccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G10 compound treatment 1.161 0.129 3.74 1.146 0.114 3.38 5.0329 0.9987 1318907 ChemDiv3_000846 CCCc1nc(N)c(C#N)c(c1CC)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G11 compound treatment 1.015 -0.0169 -0.49 1.019 -0.0127 -0.38 -0.612 -0.9916 1607665 ChemDiv3_000847 O=C(NCCc1ccccc1)c2cc3ccccc3oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G12 compound treatment 1.112 0.0801 2.32 1.055 0.0233 0.69 2.127 0.879 1316192 ChemDiv3_000848 CCN(Cc1ccccc1)S(=O)(=O)c2cc(Cl)ccc2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G13 compound treatment 1.03 -0.0019 -0.05 1.014 -0.0177 -0.52 -0.4094 -0.777 3117560 ChemDiv3_000849 Clc1ccc(/C=C/C(=O)Nc2nccs2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G14 compound treatment 1.028 -0.0039 -0.11 1.023 -0.00872 -0.26 -0.2622 -0.9312 1342653 ChemDiv3_000850 Clc1ccc2[nH]c(nc2c1)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G15 compound treatment 1.011 -0.0209 -0.61 1.006 -0.0257 -0.76 -0.9657 -0.9936 1360061 ChemDiv3_000851 CCOc1ccccc1C(=O)Nc2cccc(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G16 compound treatment 1.016 -0.0159 -0.46 1.025 -0.00672 -0.2 -0.4661 -0.9295 1160846 ChemDiv3_000852 CC1CN(CC(C)O1)S(=O)(=O)c2ccc(NC(=O)C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G17 compound treatment 1.029 -0.0029 -0.08 1.033 0.00128 0.04 -0.0326 -0.3549 3020907 ChemDiv3_000853 Cc1ccc(NC(=O)c2ccc(F)cc2)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G18 compound treatment 1.022 -0.0099 -0.29 1.022 -0.00972 -0.29 -0.406 -1.0 1569529 ChemDiv3_000854 Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N3CCCCC3)c(c1)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G19 compound treatment 1.059 0.0271 0.78 1.034 0.00228 0.07 0.6026 0.7649 1657157 ChemDiv3_000855 CC(C)(C)C(=O)NC(c1ccccc1)c2c(O)ccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G20 compound treatment 1.088 0.0561 1.62 1.098 0.0663 1.96 2.5345 0.9957 1709867 ChemDiv3_000856 COc1cccc(c1)C(=O)Nc2ccc3oc(nc3c2)c4cccc(I)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G21 compound treatment 1.031 -8.97E-4 -0.03 1.024 -0.00772 -0.23 -0.1798 -0.7825 1083894 ChemDiv3_000857 Clc1ccc(cc1)C(=O)NCCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G22 compound treatment 1.507 0.475 13.76 1.462 0.43 12.72 18.7249 0.9992 3117561 ChemDiv3_000858 COc1cccc(c1)C(C(F)(F)F)P(=O)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G23 mock treatment 1.045 0.0131 0.38 1.025 -0.00672 -0.2 0.1278 0.2982 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 G24 mock treatment 1.049 0.0171 0.5 1.051 0.0193 0.57 0.7532 0.9976 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H01 compound treatment 1.005 -0.0269 -0.78 1.03 -0.00172 -0.05 -0.5868 -0.7518 1366343 ChemDiv3_000859 CC(=O)N(CN1C(=O)C2CC=CCC2C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H02 compound treatment 1.023 -0.0089 -0.26 1.035 0.00328 0.1 -0.1137 -0.4131 1584378 ChemDiv3_000860 CCOC(=O)Cc1csc(NC(=O)c2ccccc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H03 compound treatment 1.033 0.0011 0.03 1.028 -0.00372 -0.11 -0.0553 -0.482 3117562 ChemDiv3_000861 CC(C)c1ccc(C)cc1OCC(=O)/C=C/2\Sc3ccccc3N2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H04 compound treatment 1.013 -0.0189 -0.55 1.039 0.00728 0.22 -0.2349 -0.3994 1622162 ChemDiv3_000862 Cc1ccccc1C(=O)Nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H05 compound treatment 1.026 -0.0059 -0.17 1.026 -0.00572 -0.17 -0.2404 -1.0 3117563 ChemDiv3_000863 Cc1ccc(cc1)S(=O)(=O)NN2C(=O)S/C(=C/c3ccccc3)/C2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H06 compound treatment 1.046 0.0141 0.41 1.023 -0.00872 -0.26 0.1064 0.2203 3020908 ChemDiv3_000864 CSc1ccc(/C=C\2/SC(=O)N(CNc3ccccc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H07 compound treatment 1.021 -0.0109 -0.32 1.04 0.00828 0.24 -0.0501 -0.1255 1912608 ChemDiv3_000865 Oc1ccc(/N=C/c2c[nH]c3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H08 compound treatment 1.02 -0.0119 -0.34 1.042 0.0103 0.3 -0.0288 -0.0627 1623791 ChemDiv3_000866 Cc1ccc(NC(=O)c2ccc(cc2)c3ccccc3)nc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H09 compound treatment 1.009 -0.0229 -0.66 1.0 -0.0317 -0.94 -1.1321 -0.9856 3117564 ChemDiv3_000867 COc1cccc2cc(c3csc(Nc4cccc(c4)C(F)(F)F)n3)c(=O)oc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H10 compound treatment 1.013 -0.0189 -0.55 0.997 -0.0347 -1.03 -1.1129 -0.9566 3020909 ChemDiv3_000868 CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H11 compound treatment 1.019 -0.0129 -0.37 1.021 -0.0107 -0.32 -0.4883 -0.9967 1919894 ChemDiv3_000869 CCS(=O)(=O)C(=C(Nc1ccccc1)Nc2ccccc2)S(=O)(=O)CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H12 compound treatment 1.029 -0.0029 -0.08 1.028 -0.00372 -0.11 -0.1372 -0.991 1361150 ChemDiv3_000870 COC(=O)C(C(C)C)N1C(=O)C2C3CC(C=C3)C2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H13 compound treatment 1.027 -0.0049 -0.14 1.032 2.76E-4 0.01 -0.0945 -0.6653 1526618 ChemDiv3_000871 Cc1c(Cl)cccc1NC(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H14 compound treatment 1.025 -0.0069 -0.2 1.021 -0.0107 -0.32 -0.3654 -0.9752 3118161 ChemDiv3_000872 O=C(Nc1ccc(cc1)c2nc3c(ccc4ccccc34)o2)c5ccco5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H15 compound treatment 1.053 0.0211 0.61 1.044 0.0123 0.36 0.6888 0.969 1157871 ChemDiv3_000873 O=C(COc1ccc2c(cc(=O)oc2c1)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H16 compound treatment 0.988 -0.0439 -1.27 1.019 -0.0127 -0.38 -1.1649 -0.8787 3118162 ChemDiv3_000874 Nc1nnnn1/N=C\c2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H17 compound treatment 1.02 -0.0119 -0.34 1.038 0.00628 0.19 -0.1124 -0.2873 1288630 ChemDiv3_000875 CCOC(=O)c1ccccc1NS(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H18 compound treatment 1.033 0.0011 0.03 1.012 -0.0197 -0.58 -0.3898 -0.6674 1696480 ChemDiv3_000876 Cc1ccc(NCC(O)Cn2c3ccccc3c4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H19 compound treatment 1.028 -0.0039 -0.11 1.021 -0.0107 -0.32 -0.304 -0.9033 1434081 ChemDiv3_000877 CC(C)c1ccc(OCC(=O)NCC=C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H20 compound treatment 1.039 0.0071 0.21 1.023 -0.00872 -0.26 -0.0369 -0.1119 3020910 ChemDiv3_000878 CC1(C)CC(=O)C(=CNCc2ccco2)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H21 compound treatment 1.009 -0.0229 -0.66 1.016 -0.0157 -0.46 -0.7976 -0.9849 1350794 ChemDiv3_000879 COc1ccc(OC(=O)c2cc3ccccc3o2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H22 compound treatment 1.033 0.0011 0.03 1.032 2.76E-4 0.01 0.0284 0.86 3020911 ChemDiv3_000880 O=c1[nH]nc(N2CCOCC2)c(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H23 mock treatment 1.314 0.282 8.17 1.282 0.25 7.4 11.0094 0.9988 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 H24 mock treatment 1.021 -0.0109 -0.32 1.029 -0.00272 -0.08 -0.2801 -0.86 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I01 compound treatment 1.016 -0.0159 -0.46 1.019 -0.0127 -0.38 -0.5916 -0.995 1682167 ChemDiv3_000881 CCOC(=O)C1=C(NC(=O)NC1c2ccc(OC)cc2)c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I02 compound treatment 1.026 -0.0059 -0.17 1.015 -0.0167 -0.49 -0.4704 -0.8992 3020912 ChemDiv3_000882 C1CN(CCO1)c2ccc(C=Nn3cncn3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I03 compound treatment 1.018 -0.0139 -0.4 1.014 -0.0177 -0.52 -0.6551 -0.9915 1588286 ChemDiv3_000883 CCOc1ccccc1N2C(=O)C3C(C(C=CC3c4ccccc4)c5ccccc5)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I04 compound treatment 1.006 -0.0259 -0.75 1.005 -0.0267 -0.79 -1.089 -0.9997 3118163 ChemDiv3_000884 Cc1ccc(C)c(c1)S(=O)(=O)NCCCn2ccnc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I05 compound treatment 1.011 -0.0209 -0.61 1.018 -0.0137 -0.41 -0.7148 -0.9811 1319250 ChemDiv3_000885 O=C(Nc1ccc2-c3ccc(NC(=O)C4CCCCC4)cc3S(=O)(=O)c2c1)C5CCCCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I06 compound treatment 1.013 -0.0189 -0.55 1.017 -0.0147 -0.44 -0.6948 -0.9936 3020913 ChemDiv3_000886 CC1NC(=O)NC1CCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I07 compound treatment 1.018 -0.0139 -0.4 1.005 -0.0267 -0.79 -0.8433 -0.951 1370690 ChemDiv3_000887 CCC1CCCCN1C(=O)CN2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I08 compound treatment 1.023 -0.0089 -0.26 1.022 -0.00972 -0.29 -0.3855 -0.9985 3020914 ChemDiv3_000888 CCC1(CC)Cc2ccccc2/C(=N/c3c(C)n(C)n(c4ccccc4)c3=O)/N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I09 compound treatment 1.076 0.0441 1.28 1.073 0.0413 1.22 1.7661 0.9997 3118164 ChemDiv3_000889 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc3cccc(c3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I10 compound treatment 1.018 -0.0139 -0.4 1.011 -0.0207 -0.61 -0.7178 -0.9792 3118165 ChemDiv3_000890 COc1ccc(Cl)cc1NC(=O)c2nc3nc(cc(n3n2)C(F)(F)F)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I11 compound treatment 1.225 0.193 5.59 1.19 0.158 4.68 7.2634 0.9961 1696086 ChemDiv3_000891 CCc1ccc(OCC(=O)N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I12 compound treatment 1.009 -0.0229 -0.66 1.027 -0.00472 -0.14 -0.5676 -0.8377 1643226 ChemDiv3_000892 OC(=O)CP(=O)(O)c1ccc(Cl)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I13 compound treatment 1.021 -0.0109 -0.32 1.004 -0.0277 -0.82 -0.8028 -0.9139 3118166 ChemDiv3_000893 Clc1ccccc1/C=C/C(=O)N2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I14 compound treatment 0.995 -0.0369 -1.07 1.001 -0.0307 -0.91 -1.3979 -0.9967 3020915 ChemDiv3_000894 COc1ccccc1/C=N\c2ccc3n(Cc4ccccc4)c(C)nc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I15 compound treatment 1.024 -0.0079 -0.23 1.002 -0.0297 -0.88 -0.7831 -0.8624 1438926 ChemDiv3_000895 COC(=O)c1ccccc1NC(=O)c2ccccc2Br 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I16 compound treatment 1.038 0.0061 0.18 1.042 0.0103 0.3 0.3398 0.9668 1126074 ChemDiv3_000896 O=S(=O)(Cc1ccccc1)Nc2cccnc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I17 compound treatment 1.026 -0.0059 -0.17 1.01 -0.0217 -0.64 -0.5749 -0.8651 3118167 ChemDiv3_000897 Clc1ccc(/C=C/C(=O)NCc2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I18 compound treatment 1.03 -0.0019 -0.05 1.017 -0.0147 -0.44 -0.3467 -0.7901 3118168 ChemDiv3_000898 O=C1CS/C(=N\c2ccccc2)/N1Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I19 compound treatment 1.102 0.0701 2.03 1.106 0.0743 2.2 2.9884 0.9992 1496753 ChemDiv3_000899 CC(=O)n1cc(c2ccncc2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I20 compound treatment 1.136 0.104 3.01 1.178 0.146 4.32 5.19 0.9844 3118169 ChemDiv3_000900 CC(=O)NC(=O)c/1cc2ccccc2o\c1=N/c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I21 compound treatment 1.023 -0.0089 -0.26 1.023 -0.00872 -0.26 -0.3646 -1.0 1085397 ChemDiv3_000901 Clc1ccccc1NC(=O)COc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I22 compound treatment 1.068 0.0361 1.05 1.128 0.0963 2.85 2.7521 0.9076 3020938 ChemDiv3_000902 CP(=O)(O)C(c1cccc(Cl)c1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I23 mock treatment 1.034 0.0021 0.06 1.014 -0.0177 -0.52 -0.3275 -0.6207 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 I24 mock treatment 1.021 -0.0109 -0.32 1.026 -0.00572 -0.17 -0.3428 -0.9573 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J01 compound treatment 1.006 -0.0259 -0.75 1.008 -0.0237 -0.7 -1.0263 -0.9994 3118170 ChemDiv3_000903 O=C1NC(=O)/C(=C\c2c3ccccc3cc4ccccc24)/C(=O)N1c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J02 compound treatment 1.017 -0.0149 -0.43 1.023 -0.00872 -0.26 -0.4874 -0.9698 1538193 ChemDiv3_000904 Cc1cccc(Nc2nc(C)cc(C)c2C#N)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J03 compound treatment 1.007 -0.0249 -0.72 1.015 -0.0167 -0.49 -0.8595 -0.9831 3020939 ChemDiv3_000905 CC(C)C(=O)/C=C\1/Sc2ccccc2N1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J04 compound treatment 1.017 -0.0149 -0.43 1.009 -0.0227 -0.67 -0.7801 -0.9771 1399642 ChemDiv3_000906 CC(C)(C#CC(O)(c1ccccc1)c2ccccc2)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J05 compound treatment 1.018 -0.0139 -0.4 0.999 -0.0327 -0.97 -0.9687 -0.9244 3118171 ChemDiv3_000907 Clc1ccc(/C=C\2/SC(=O)N(NC(=O)c3ccccc3Cl)C2=S)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J06 compound treatment 1.0 -0.0319 -0.92 1.009 -0.0227 -0.67 -1.1283 -0.9878 1545446 ChemDiv3_000908 OC(=O)c1ccccc1n2c(=O)c3cc4c(=O)n(c5ccccc5C(=O)O)c(=O)c4cc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J07 compound treatment 1.042 0.0101 0.29 1.057 0.0253 0.75 0.7353 0.9162 1642929 ChemDiv3_000909 C(N1CCN(Cc2ccccc2)C1c3c[nH]c4ccccc34)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J08 compound treatment 1.026 -0.0059 -0.17 1.027 -0.00472 -0.14 -0.2195 -0.995 3118172 ChemDiv3_000910 FC(F)(F)c1cccc(NC(=O)c2ccc(cc2)c3ccccc3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J09 compound treatment 1.0 -0.0319 -0.92 1.009 -0.0227 -0.67 -1.1283 -0.9878 3020940 ChemDiv3_000911 Ic1cccc(/C=N/N2C(=O)C3C4C=CC(C3C2=O)C54CC5)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J10 compound treatment 1.017 -0.0149 -0.43 1.007 -0.0247 -0.73 -0.822 -0.9684 3118173 ChemDiv3_000912 Cc1cc(I)ccc1NC(=O)c2ccc(cc2)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J11 compound treatment 1.005 -0.0269 -0.78 1.008 -0.0237 -0.7 -1.0468 -0.9986 1477505 ChemDiv3_000913 CCCS(=O)(=O)c1c(C(=O)OC)n2ccccc2c1S(=O)(=O)CCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J12 compound treatment 1.035 0.0031 0.09 1.039 0.00728 0.22 0.2157 0.925 1130176 ChemDiv3_000914 Cc1cccc(NCN2C(=O)C3C4CC(C=C4)C3C2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J13 compound treatment 1.028 -0.0039 -0.11 1.023 -0.00872 -0.26 -0.2622 -0.9312 3020941 ChemDiv3_000915 O=C/1OC(=N\C1=C/Nc2ccccn2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J14 compound treatment 1.021 -0.0109 -0.32 1.019 -0.0127 -0.38 -0.4892 -0.9962 1478515 ChemDiv3_000916 CCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J15 compound treatment 1.03 -0.0019 -0.05 1.022 -0.00972 -0.29 -0.2421 -0.8272 3118174 ChemDiv3_000917 CC(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J16 compound treatment 1.018 -0.0139 -0.4 1.0 -0.0317 -0.94 -0.9478 -0.9286 3020942 ChemDiv3_000918 Brc1ccc(cc1)C2=N/C(=C\Nc3ccccc3)/C(=O)O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J17 compound treatment 1.013 -0.0189 -0.55 1.03 -0.00172 -0.05 -0.423 -0.7696 3118175 ChemDiv3_000919 OC(=O)CCCNc1n[nH]c(=O)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J18 compound treatment 1.029 -0.0029 -0.08 1.021 -0.0107 -0.32 -0.2835 -0.8644 1721267 ChemDiv3_000920 O=C1N(CN2CCCCC2)C(=O)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J19 compound treatment 1.029 -0.0029 -0.08 1.02 -0.0117 -0.35 -0.3044 -0.8536 1065790 ChemDiv3_000921 COc1ccc(NC(=S)NC2CCCCC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J20 compound treatment 1.023 -0.0089 -0.26 1.015 -0.0167 -0.49 -0.5318 -0.9538 1923178 ChemDiv3_000922 CC1(C)CC(=O)C(=CNCC2CCCO2)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J21 compound treatment 1.01 -0.0219 -0.63 1.027 -0.00472 -0.14 -0.5472 -0.8427 1623304 ChemDiv3_000923 Cc1ccc(OC(=O)c2cc3ccccc3o2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J22 compound treatment 1.027 -0.0049 -0.14 0.998 -0.0337 -1.0 -0.8053 -0.7996 3118176 ChemDiv3_000924 CCOCc1c[nH]c(=O)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J23 mock treatment 1.018 -0.0139 -0.4 1.006 -0.0257 -0.76 -0.8224 -0.9557 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 J24 mock treatment 1.18 0.148 4.29 1.201 0.169 5.0 6.5719 0.997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K01 compound treatment 1.035 0.0031 0.09 1.024 -0.00772 -0.23 -0.0979 -0.399 1216806 ChemDiv3_000925 CC(=O)OCCn1c(=O)[nH]c(=O)c2nsnc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K02 compound treatment 1.002 -0.0299 -0.87 1.028 -0.00372 -0.11 -0.6901 -0.7907 3118177 ChemDiv3_000926 CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2ccccc2O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K03 compound treatment 1.064 0.0321 0.93 1.051 0.0193 0.57 1.0604 0.9724 1915945 ChemDiv3_000927 CCOC(=O)/C=C(\C)/N1N=C2C(CCc3cc(OC)ccc23)C1c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K04 compound treatment 1.009 -0.0229 -0.66 1.01 -0.0217 -0.64 -0.9231 -0.9999 1496403 ChemDiv3_000928 Cc1cn(cn1)S(=O)(=O)c2ccc(F)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K05 compound treatment 1.012 -0.0199 -0.58 1.018 -0.0137 -0.41 -0.6944 -0.9853 1637460 ChemDiv3_000929 CCOc1cc(ccc1O)c2cc(C)c3c(ccc4ccccc43)n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K06 compound treatment 1.015 -0.0169 -0.49 1.027 -0.00472 -0.14 -0.4448 -0.874 3020943 ChemDiv3_000930 CCC1=C/C(=C/N(C)c2ccccc2)/C(=O)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K07 compound treatment 1.037 0.0051 0.15 1.013 -0.0187 -0.55 -0.2869 -0.5008 1083865 ChemDiv3_000931 FC(F)(F)c1cccc(NC(=O)c2ccco2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K08 compound treatment 1.032 1.03E-4 0.0 1.024 -0.00772 -0.23 -0.1594 -0.6978 1678628 ChemDiv3_000932 NCCCc1nc2cc3ccccc3cc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K09 compound treatment 1.027 -0.0049 -0.14 1.018 -0.0137 -0.41 -0.3872 -0.9008 3118178 ChemDiv3_000933 CN(C)c1n[nH]c(=O)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K10 compound treatment 1.02 -0.0119 -0.34 1.014 -0.0177 -0.52 -0.6142 -0.9793 1535139 ChemDiv3_000934 NC(=O)C1CCN(CC1)S(=O)(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K11 compound treatment 1.024 -0.0079 -0.23 1.012 -0.0197 -0.58 -0.5741 -0.9165 3020944 ChemDiv3_000935 NN1C(=O)/C(=C\c2ccccc2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K12 compound treatment 1.003 -0.0289 -0.84 1.019 -0.0127 -0.38 -0.8578 -0.9349 1729835 ChemDiv3_000936 C(Cn1c(Cc2ccccc2)nc3ccccc13)N4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K13 compound treatment 1.009 -0.0229 -0.66 1.017 -0.0147 -0.44 -0.7767 -0.9792 3020945 ChemDiv3_000937 CC1CCN(CC1)C(=O)/C=C/c2ccc3OCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K14 compound treatment 1.006 -0.0259 -0.75 1.002 -0.0297 -0.88 -1.1517 -0.9969 3118311 ChemDiv3_000938 Cc1nc2cc(/N=C\c3ccc(Cl)cc3)ccc2n1Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K15 compound treatment 1.018 -0.0139 -0.4 1.026 -0.00572 -0.17 -0.4042 -0.9259 3020946 ChemDiv3_000939 CCCCc1ccc(NC(=O)CC)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K16 compound treatment 0.885 -0.147 -4.25 0.855 -0.177 -5.23 -6.7029 -0.9948 1129901 ChemDiv3_000940 O=S(=O)(Cc1ccccc1)Nn2cnnc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K17 compound treatment 1.022 -0.0099 -0.29 1.033 0.00128 0.04 -0.176 -0.6088 3020947 ChemDiv3_000941 CC(NC(=O)/C=C/c1ccccc1Cl)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K18 compound treatment 1.018 -0.0139 -0.4 1.026 -0.00572 -0.17 -0.4042 -0.9259 3020310 ChemDiv3_000942 CCOc1ccc(OCCSc2nc3ccccc3n2Cc4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K19 compound treatment 1.016 -0.0159 -0.46 1.014 -0.0177 -0.52 -0.6961 -0.9979 1632334 ChemDiv3_000943 CCOC(=O)c1ccccc1NC(=O)C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K20 compound treatment 1.009 -0.0229 -0.66 1.023 -0.00872 -0.26 -0.6513 -0.9154 3118312 ChemDiv3_000944 CCOc1cccc2cc(C(=O)N)/c(=N/Cc3ccccc3)/oc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K21 compound treatment 1.014 -0.0179 -0.52 1.002 -0.0297 -0.88 -0.9879 -0.9683 1564768 ChemDiv3_000945 COC(=O)c1cccc(NC(=O)COc2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K22 compound treatment 1.023 -0.0089 -0.26 1.023 -0.00872 -0.26 -0.3646 -1.0 1122886 ChemDiv3_000946 COC(=O)C1=C(C)NC(=O)CC1c2ccccc2I 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K23 mock treatment 1.004 -0.0279 -0.81 1.006 -0.0257 -0.76 -1.1091 -0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 K24 mock treatment 1.017 -0.0149 -0.43 1.019 -0.0127 -0.38 -0.5711 -0.9977 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L01 compound treatment 1.001 -0.0309 -0.89 1.021 -0.0107 -0.32 -0.8569 -0.9027 1725902 ChemDiv3_000947 CCOC(=O)CSc1nc2ccccc2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L02 compound treatment 1.019 -0.0129 -0.37 1.018 -0.0137 -0.41 -0.551 -0.9991 3118313 ChemDiv3_000948 Clc1cccc(c1)C2OCC3(CO2)COC(OC3)c4cccc(Cl)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L03 compound treatment 1.009 -0.0229 -0.66 1.024 -0.00772 -0.23 -0.6304 -0.8988 3020311 ChemDiv3_000949 Clc1ccc(/C=C\2/C=C(OC2=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L04 compound treatment 1.041 0.0091 0.26 1.017 -0.0147 -0.44 -0.1214 -0.2385 1215566 ChemDiv3_000950 COc1ccc(cc1)C2Nc3ccccc3C(=O)N2c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L05 compound treatment 1.039 0.0071 0.21 1.025 -0.00672 -0.2 0.0049 0.0171 1482448 ChemDiv3_000951 Clc1ccc(OCC(=O)NC2CCS(=O)(=O)C2)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L06 compound treatment 1.022 -0.0099 -0.29 1.004 -0.0277 -0.82 -0.7823 -0.9009 3118314 ChemDiv3_000952 O=C1CCC(=O)N1c2nccs2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L07 compound treatment 1.053 0.0211 0.61 1.054 0.0223 0.66 0.8979 0.9993 1240764 ChemDiv3_000953 Oc1ccccc1C2N(Cc3ccccc3)CCN2Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L08 compound treatment 1.03 -0.0019 -0.05 1.013 -0.0187 -0.55 -0.4303 -0.7735 1351151 ChemDiv3_000954 Clc1c(sc2ccccc12)C(=O)NCc3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L09 compound treatment 1.012 -0.0199 -0.58 1.012 -0.0197 -0.58 -0.8198 -1.0 1921190 ChemDiv3_000955 Nc1nnc(CCS(=O)(=O)c2ccc(Br)cc2)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L10 compound treatment 1.015 -0.0169 -0.49 1.024 -0.00772 -0.23 -0.5075 -0.9398 1668007 ChemDiv3_000956 O=C(Nc1cccnc1)c2cc3ccccc3oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L11 compound treatment 1.025 -0.0069 -0.2 1.024 -0.00772 -0.23 -0.3027 -0.9978 3118315 ChemDiv3_000957 CN1CNC(=NS(=O)(=O)c2ccc(C)cc2)NC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L12 compound treatment 1.0 -0.0319 -0.92 1.016 -0.0157 -0.46 -0.9819 -0.9495 1733849 ChemDiv3_000958 COC(=O)c1ccc(NC(=O)C2C(C3CCC2C3)C(=O)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L13 compound treatment 1.002 -0.0299 -0.87 1.02 -0.0117 -0.35 -0.8573 -0.9193 3020312 ChemDiv3_000959 O=C/1OC(=N\C1=C/N2CCCCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L14 compound treatment 0.995 -0.0369 -1.07 0.966 -0.0657 -1.94 -2.1296 -0.9603 1222654 ChemDiv3_000960 CCCOc1ccc(cc1)C(=O)Nc2ccc-3c(Cc4ccccc43)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L15 compound treatment 1.012 -0.0199 -0.58 1.012 -0.0197 -0.58 -0.8198 -1.0 3020313 ChemDiv3_000961 Cc1cccc(/N=C/2\SCC(=O)N2c3cccc(C)c3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L16 compound treatment 1.017 -0.0149 -0.43 1.007 -0.0247 -0.73 -0.822 -0.9684 3118316 ChemDiv3_000962 COC(=O)CNC(c1ccccc1)c2cc(Br)ccc2NC(=O)CCN3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L17 compound treatment 1.016 -0.0159 -0.46 1.037 0.00528 0.16 -0.2152 -0.4428 3020314 ChemDiv3_000963 CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L18 compound treatment 1.014 -0.0179 -0.52 1.034 0.00228 0.07 -0.3189 -0.6102 3118317 ChemDiv3_000964 CCCCN1C(=O)/C(=C/N(C(=O)C)c2ccccc2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L19 compound treatment 1.052 0.0201 0.58 1.071 0.0393 1.16 1.2328 0.949 1677249 ChemDiv3_000965 CCc1cccc(C)c1NC(=O)C2COc3ccccc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L20 compound treatment 1.018 -0.0139 -0.4 1.013 -0.0187 -0.55 -0.676 -0.9877 3118318 ChemDiv3_000966 COc1ccc(CNC=C2C(=O)CC(C)(C)CC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L21 compound treatment 1.014 -0.0179 -0.52 1.031 -7.24E-4 -0.02 -0.3816 -0.7357 3118319 ChemDiv3_000967 Clc1ccc(/C=C/2\SC(=O)N(CC(=O)Nc3cccnc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L22 compound treatment 1.23 0.198 5.74 1.181 0.149 4.41 7.1777 0.9916 3020315 ChemDiv3_000968 CN(/C(=N\S(=O)(=O)c1ccc(C)cc1)/c2ccccc2)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L23 mock treatment 1.01 -0.0219 -0.63 1.007 -0.0247 -0.73 -0.9653 -0.9975 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 L24 mock treatment 1.08 0.0481 1.39 1.092 0.0603 1.78 2.2452 0.9926 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M01 compound treatment 1.01 -0.0219 -0.63 1.004 -0.0277 -0.82 -1.028 -0.992 3118320 ChemDiv3_000969 OC(=O)c1ccc(/N=C/c2cn(Cc3ccccc3)c4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M02 compound treatment 1.002 -0.0299 -0.87 1.003 -0.0287 -0.85 -1.2128 -1.0 3020316 ChemDiv3_000970 Fc1ccc(cc1)c2nc3cc(/N=C/C=C/c4ccc5OCOc5c4)ccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M03 compound treatment 1.024 -0.0079 -0.23 1.048 0.0163 0.48 0.1786 0.3351 3118321 ChemDiv3_000971 COc1ccc2CC/C(=C\c3ccc(cc3)N(C)C)/C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M04 compound treatment 1.004 -0.0279 -0.81 0.991 -0.0407 -1.2 -1.4227 -0.9812 1918339 ChemDiv3_000972 CC(C)(C)S(=O)(=O)c1ccc(s1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M05 compound treatment 1.035 0.0031 0.09 1.046 0.0143 0.42 0.362 0.8389 1679374 ChemDiv3_000973 CCc1ccc(cc1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M06 compound treatment 1.001 -0.0309 -0.89 1.003 -0.0287 -0.85 -1.2332 -0.9997 3118322 ChemDiv3_000974 CCC1=C/C(=C\c2ccc3OCOc3c2)/C(=O)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M07 compound treatment 1.008 -0.0239 -0.69 0.993 -0.0387 -1.14 -1.2989 -0.9709 3118323 ChemDiv3_000975 Brc1ccc2NC(=O)/C(=C/3\SC(=S)N(C3=O)c4cccc(Br)c4)/c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M08 compound treatment 1.028 -0.0039 -0.11 1.021 -0.0107 -0.32 -0.304 -0.9033 1260425 ChemDiv3_000976 OC(=O)c1cncc(OC(=O)OCc2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M09 compound treatment 1.04 0.0081 0.23 1.019 -0.0127 -0.38 -0.1001 -0.2257 1445337 ChemDiv3_000977 O=C(CCN1C(=O)c2ccccc2C1=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M10 compound treatment 0.967 -0.0649 -1.88 0.979 -0.0527 -1.56 -2.4312 -0.9957 1228370 ChemDiv3_000978 COc1ccc(cc1)S(=O)(=O)N2CCCCC2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M11 compound treatment 1.017 -0.0149 -0.43 0.991 -0.0407 -1.2 -1.1565 -0.9042 1353970 ChemDiv3_000979 CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(OC)cc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M12 compound treatment 0.992 -0.0399 -1.16 1.019 -0.0127 -0.38 -1.083 -0.8913 3020317 ChemDiv3_000980 Brc1ccc(/C=N/c2nc3ccccc3n2CCN4CCCCC4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M13 compound treatment 1.033 0.0011 0.03 1.005 -0.0267 -0.79 -0.5361 -0.678 1731333 ChemDiv3_000981 CCOC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M14 compound treatment 1.012 -0.0199 -0.58 1.011 -0.0207 -0.61 -0.8407 -0.9995 3020318 ChemDiv3_000982 CN(C)c1ccc(/C=N/c2ccc3n(cnc3c2)c4ccc(C)cc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M15 compound treatment 0.992 -0.0399 -1.16 0.982 -0.0497 -1.47 -1.8566 -0.9929 1678613 ChemDiv3_000983 CCOc1ccccc1C(=O)Nc2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M16 compound treatment 0.995 -0.0369 -1.07 1.007 -0.0247 -0.73 -1.2725 -0.9829 1685159 ChemDiv3_000984 CC1CC(C)CN(C1)C(=O)c2c(C)onc2c3ccccc3Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M17 compound treatment 1.038 0.0061 0.18 1.042 0.0103 0.3 0.3398 0.9668 3020319 ChemDiv3_000985 CC(NC(=O)/C=C/c1ccc2OCOc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M18 compound treatment 0.999 -0.0329 -0.95 1.013 -0.0187 -0.55 -1.0651 -0.9666 3118324 ChemDiv3_000986 CCOc1ccc(OCCSc2nc(=O)cc(C)[nH]2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M19 compound treatment 0.991 -0.0409 -1.18 0.993 -0.0387 -1.14 -1.6471 -0.9999 1635077 ChemDiv3_000987 NC(=O)CCN1C(=O)c2ccccc2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M20 compound treatment 1.004 -0.0279 -0.81 1.01 -0.0217 -0.64 -1.0255 -0.9935 1419414 ChemDiv3_000988 C(CN1CCOCC1)Cc2ccc(COc3ccccc3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M21 compound treatment 1.02 -0.0119 -0.34 0.992 -0.0397 -1.17 -1.0741 -0.8776 1606786 ChemDiv3_000989 COC(=O)c1ccccc1NC(=O)c2cccs2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M22 compound treatment 1.014 -0.0179 -0.52 1.012 -0.0197 -0.58 -0.7789 -0.9983 1273253 ChemDiv3_000990 CNS(=O)(=O)c1ccc-2c(c1)C(=NO)c3cc(ccc32)S(=O)(=O)NC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M23 mock treatment 1.005 -0.0269 -0.78 1.006 -0.0257 -0.76 -1.0886 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 M24 mock treatment 0.995 -0.0369 -1.07 1.004 -0.0277 -0.82 -1.3352 -0.9914 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N01 compound treatment 0.996 -0.0359 -1.04 1.005 -0.0267 -0.79 -1.2938 -0.9908 1426304 ChemDiv3_000991 Cc1cc(C)cc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N02 compound treatment 0.988 -0.0439 -1.27 1.001 -0.0307 -0.91 -1.5413 -0.9864 3020320 ChemDiv3_000992 Brc1ccc(cc1)C2OCC(CO2)OC(=O)c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N03 compound treatment 0.993 -0.0389 -1.13 1.009 -0.0227 -0.67 -1.2716 -0.9695 1721013 ChemDiv3_000993 Clc1ccc(cc1Cl)C(=O)NCCc2nc3ccccc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N04 compound treatment 1.007 -0.0249 -0.72 0.993 -0.0387 -1.14 -1.3194 -0.9752 3020321 ChemDiv3_000994 Brc1ccc(cc1)S(=O)(=O)/N=C(\Nc2ccccc2)/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N05 compound treatment 1.003 -0.0289 -0.84 1.009 -0.0227 -0.67 -1.0668 -0.9941 1559580 ChemDiv3_000995 CCOC(=O)C1=C(C)N(C)C(=O)NC1c2ccccc2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N06 compound treatment 1.008 -0.0239 -0.69 1.0 -0.0317 -0.94 -1.1526 -0.9888 3020344 ChemDiv3_000996 CSc1ccc(/C=c\2/sc3nc4c(C)c(C)ccc4n3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N07 compound treatment 1.008 -0.0239 -0.69 1.018 -0.0137 -0.41 -0.7763 -0.9676 1921413 ChemDiv3_000997 CC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N08 compound treatment 1.018 -0.0139 -0.4 1.009 -0.0227 -0.67 -0.7597 -0.97 1649360 ChemDiv3_000998 CC(C)c1ccc(NC(=O)c2cccnc2Cl)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N09 compound treatment 1.0 -0.0319 -0.92 1.009 -0.0227 -0.67 -1.1283 -0.9878 1551746 ChemDiv3_000999 CC(=O)Nc1nnc(CCS(=O)(=O)c2ccc(C)cc2)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N10 compound treatment 1.082 0.0501 1.45 1.051 0.0193 0.57 1.429 0.9167 3118325 ChemDiv3_001000 Oc1ccccc1NC(=S)NC(=O)/C=C/c2ccc(F)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N11 compound treatment 1.05 0.0181 0.52 1.054 0.0223 0.66 0.8364 0.9936 3118597 ChemDiv3_001001 NC(=NS(=O)(=O)c1ccc(NC(=O)OC2CCCC2)cc1)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N12 compound treatment 1.007 -0.0249 -0.72 0.999 -0.0327 -0.97 -1.194 -0.9895 1270195 ChemDiv3_001002 CC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)OCC(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N13 compound treatment 1.008 -0.0239 -0.69 1.011 -0.0207 -0.61 -0.9226 -0.9982 3118453 ChemDiv3_001003 O=S(=O)(/N=C(\OC1CCCCC1)/c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N14 compound treatment 1.004 -0.0279 -0.81 0.996 -0.0357 -1.06 -1.3181 -0.9912 1241887 ChemDiv3_001004 CCCOc1cccc(c1)C(=O)Nc2ccc(cc2)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N15 compound treatment 1.001 -0.0309 -0.89 0.995 -0.0367 -1.09 -1.4005 -0.9954 3020346 ChemDiv3_001005 COc1ccccc1N2C(=O)S/C(=C\c3ccccc3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N16 compound treatment 1.004 -0.0279 -0.81 0.995 -0.0367 -1.09 -1.339 -0.9894 1373892 ChemDiv3_001006 CC(=C)Cn1c(SCC(=O)NN)nc2ccccc2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N17 compound treatment 1.125 0.0931 2.7 1.183 0.151 4.47 5.0692 0.9706 1493653 ChemDiv3_001007 CC(C)c1ccccc1NC(=O)c2cc3ccccc3oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N18 compound treatment 1.008 -0.0239 -0.69 1.004 -0.0277 -0.82 -1.069 -0.9965 3118454 ChemDiv3_001008 CC(=O)N(/C=C/1\SC(=S)N(Cc2ccccc2)C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N19 compound treatment 1.011 -0.0209 -0.61 1.008 -0.0237 -0.7 -0.9239 -0.9973 1232650 ChemDiv3_001009 CCOC(=O)c1cccc(NC(=O)CCOc2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N20 compound treatment 0.997 -0.0349 -1.01 1.012 -0.0197 -0.58 -1.127 -0.9659 3118455 ChemDiv3_001010 CC1(C)CC(=O)C(=CNCc2cccnc2)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N21 compound treatment 1.003 -0.0289 -0.84 1.031 -7.24E-4 -0.02 -0.6069 -0.725 3118456 ChemDiv3_001011 CN1CCN(CC1)NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N22 compound treatment 0.984 -0.0479 -1.39 0.988 -0.0437 -1.29 -1.895 -0.9994 1118985 ChemDiv3_001012 COc1ccccc1NC(=O)C2(CC3CC4CC(C3)C2)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N23 mock treatment 0.99 -0.0419 -1.21 1.013 -0.0187 -0.55 -1.2494 -0.9368 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 N24 mock treatment 1.027 -0.0049 -0.14 1.022 -0.00972 -0.29 -0.3036 -0.947 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O01 compound treatment 1.008 -0.0239 -0.69 1.019 -0.0127 -0.38 -0.7554 -0.959 3118457 ChemDiv3_001013 COC(=O)CNC(c1ccccc1)c2cc(Br)ccc2NC(=O)c3ccccc3Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O02 compound treatment 1.013 -0.0189 -0.55 1.034 0.00228 0.07 -0.3394 -0.6155 3020347 ChemDiv3_001014 OC(=O)c1ccc(cc1)c2ccc(/C=C/3\Sc4ccccc4C3=O)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O03 compound treatment 1.015 -0.0169 -0.49 1.016 -0.0157 -0.46 -0.6747 -0.9997 1433689 ChemDiv3_001015 COc1ccc(cc1OC)C2CC(=NN2C=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O04 compound treatment 1.026 -0.0059 -0.17 1.023 -0.00872 -0.26 -0.3031 -0.9799 1216374 ChemDiv3_001016 CC1(C)CC(=CC(C)(C)N1)c2ccc(s2)C3=CC(C)(C)NC(C)(C)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O05 compound treatment 1.085 0.0531 1.54 1.089 0.0573 1.69 2.2849 0.9988 1687051 ChemDiv3_001017 Oc1cccc(c1)c2nc3ccc4ccccc4c3c5CCCCc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O06 compound treatment 1.024 -0.0079 -0.23 1.282 0.25 7.4 5.0707 0.6849 3020348 ChemDiv3_001018 CCc1cc2c[n+](sc2s1)C3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O07 compound treatment 1.019 -0.0129 -0.37 1.019 -0.0127 -0.38 -0.5301 -1.0 1282936 ChemDiv3_001019 Cc1cc(=O)oc2cc(OCC(=O)O)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O08 compound treatment 1.036 0.0041 0.12 1.063 0.0313 0.92 0.7379 0.7915 1606633 ChemDiv3_001020 CC(=O)Oc1cncc(c1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O09 compound treatment 1.028 -0.0039 -0.11 1.045 0.0133 0.39 0.1978 0.4842 1192059 ChemDiv3_001021 O=C(NCc1ccccc1)C(Cc2ccccc2)N3C(=O)c4ccccc4C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O10 compound treatment 1.01 -0.0219 -0.63 1.014 -0.0177 -0.52 -0.819 -0.9955 1475559 ChemDiv3_001022 COc1ccc(cc1)C(=O)NCC#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O11 compound treatment 1.183 0.151 4.38 1.211 0.179 5.3 6.8424 0.9955 1080178 ChemDiv3_001023 Clc1ccc(cc1)C(=O)NC(=S)Nc2ccccc2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O12 compound treatment 1.004 -0.0279 -0.81 1.009 -0.0227 -0.67 -1.0464 -0.9958 3118458 ChemDiv3_001024 Clc1ccc(/C=N/c2nc3ccccc3n2CC=C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O13 compound treatment 1.028 -0.0039 -0.11 1.02 -0.0117 -0.35 -0.3249 -0.8913 1649330 ChemDiv3_001025 O=C(CNC(=O)c1ccccc1)N2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O14 compound treatment 1.021 -0.0109 -0.32 1.016 -0.0157 -0.46 -0.5519 -0.9822 3118459 ChemDiv3_001026 COc1ccccc1n2cnc3cc(/N=C/c4ccccc4O)ccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O15 compound treatment 1.024 -0.0079 -0.23 1.016 -0.0157 -0.46 -0.4904 -0.9466 1328150 ChemDiv3_001027 Cc1ccc(cc1)N(C2CS(=O)(=O)CC2OC(=O)c3ccccc3)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O16 compound treatment 0.969 -0.0629 -1.82 0.976 -0.0557 -1.65 -2.453 -0.9987 1283075 ChemDiv3_001028 COc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O17 compound treatment 1.037 0.0051 0.15 1.053 0.0213 0.63 0.5493 0.8501 3118460 ChemDiv3_001029 Cc1ccccc1NC(=O)/C=C/c2ccc3OCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O18 compound treatment 1.014 -0.0179 -0.52 1.028 -0.00372 -0.11 -0.4444 -0.8386 1317231 ChemDiv3_001030 NNC(=O)CNC(=O)C1COc2ccccc2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O19 compound treatment 0.981 -0.0509 -1.47 0.988 -0.0437 -1.29 -1.9564 -0.9979 1195157 ChemDiv3_001031 COc1ccc(CCNC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O20 compound treatment 1.019 -0.0129 -0.37 1.045 0.0133 0.39 0.0135 0.0248 3020350 ChemDiv3_001032 OC(=O)C/1=NN(C(=O)\C1=C/c2c[nH]c3ccccc23)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O21 compound treatment 0.968 -0.0639 -1.85 0.989 -0.0427 -1.26 -2.2017 -0.9827 1154870 ChemDiv3_001033 COc1ccc(NC(=O)COc2ccc(C)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O22 compound treatment 1.024 -0.0079 -0.23 1.043 0.0113 0.33 0.074 0.1831 1195792 ChemDiv3_001034 CCNS(=O)(=O)c1ccc-2c(c1)C(=O)c3cc(ccc32)S(=O)(=O)NCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O23 mock treatment 1.058 0.0261 0.76 1.086 0.0543 1.6 1.6693 0.941 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 O24 mock treatment 1.122 0.0901 2.61 1.124 0.0923 2.73 3.7743 0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P01 compound treatment 1.004 -0.0279 -0.81 1.009 -0.0227 -0.67 -1.0464 -0.9958 1266216 ChemDiv3_001035 Cc1cccc(C)c1OC(=O)CN2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P02 compound treatment 1.027 -0.0049 -0.14 1.02 -0.0117 -0.35 -0.3454 -0.9222 3118461 ChemDiv3_001036 Cc1ccccc1OCCn2c(S)nc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P03 compound treatment 1.017 -0.0149 -0.43 1.015 -0.0167 -0.49 -0.6547 -0.9977 1270060 ChemDiv3_001037 O=C(NC1CCCC1)c2cc3nc(cc(c4ccccc4)n3n2)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P04 compound treatment 1.023 -0.0089 -0.26 0.999 -0.0327 -0.97 -0.8663 -0.8653 3020351 ChemDiv3_001038 Cc1ccccc1N/C(=N\S(=O)(=O)c2ccccc2)/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P05 compound treatment 1.026 -0.0059 -0.17 1.044 0.0123 0.36 0.1359 0.3388 1725017 ChemDiv3_001039 COc1ccc(CC(C)CC(=O)Nc2ccc(I)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P06 compound treatment 1.02 -0.0119 -0.34 1.023 -0.00872 -0.26 -0.426 -0.9898 1202851 ChemDiv3_001040 Nc1c(C#N)c(c(C#N)c2nc3ccccc3n12)c4ccccc4Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P07 compound treatment 1.016 -0.0159 -0.46 1.022 -0.00972 -0.29 -0.5288 -0.9743 1528263 ChemDiv3_001041 COc1ccc(NCC(O)Cn2c3ccc(Cl)cc3c4cc(Cl)ccc24)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P08 compound treatment 0.937 -0.0949 -2.75 0.971 -0.0607 -1.8 -3.2129 -0.9787 1730700 ChemDiv3_001042 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P09 compound treatment 1.078 0.0461 1.34 1.084 0.0523 1.55 2.037 0.9973 3020380 ChemDiv3_001043 COc1ccc-2c(c1)C(=NN)c3cc(OC)ccc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P10 compound treatment 1.024 -0.0079 -0.23 1.022 -0.00972 -0.29 -0.365 -0.9936 3118462 ChemDiv3_001044 OC(=O)CCN1C(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3Cl)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P11 compound treatment 1.052 0.0201 0.58 1.047 0.0153 0.45 0.731 0.9921 1544835 ChemDiv3_001045 CC(C)OC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P12 compound treatment 1.018 -0.0139 -0.4 1.017 -0.0147 -0.44 -0.5924 -0.9992 3118463 ChemDiv3_001046 CCN1/C(=C\2/SC(=S)N(N)C2=O)/C=Cc3cc(C)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P13 compound treatment 1.031 -8.97E-4 -0.03 1.039 0.00728 0.22 0.1338 0.6173 3118464 ChemDiv3_001047 CCS(=O)(=O)CCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P14 compound treatment 1.017 -0.0149 -0.43 1.017 -0.0147 -0.44 -0.6129 -1.0 1403310 ChemDiv3_001048 CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P15 compound treatment 1.033 0.0011 0.03 1.022 -0.00972 -0.29 -0.1807 -0.6247 3118465 ChemDiv3_001049 COc1ccc(/C=C/2\SC(=O)N(C2=O)c3ccc(C)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P16 compound treatment 1.035 0.0031 0.09 1.013 -0.0187 -0.55 -0.3279 -0.5847 3020381 ChemDiv3_001050 CN(C)c1ccc(/C=C/c2ccncc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P17 compound treatment 1.062 0.0301 0.87 1.061 0.0293 0.87 1.2285 1.0 1724755 ChemDiv3_001051 CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P18 compound treatment 0.996 -0.0359 -1.04 1.026 -0.00572 -0.17 -0.8548 -0.8115 3020382 ChemDiv3_001052 CN1C(=O)/C(=C/Nc2ccccc2)/OC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P19 compound treatment 1.024 -0.0079 -0.23 1.025 -0.00672 -0.2 -0.3023 -0.9976 1157486 ChemDiv3_001053 Cc1cccc(NC(=O)CCOc2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P20 compound treatment 1.036 0.0041 0.12 1.023 -0.00872 -0.26 -0.0984 -0.3463 1218521 ChemDiv3_001054 CCOP(=S)(OCC)SCSn1c(=O)oc2cc(Cl)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P21 compound treatment 1.015 -0.0169 -0.49 1.027 -0.00472 -0.14 -0.4448 -0.874 3118466 ChemDiv3_001055 O=C/1N(C(=S)S\C1=C\c2cccs2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P22 compound treatment 1.024 -0.0079 -0.23 1.047 0.0153 0.45 0.1577 0.3114 3020383 ChemDiv3_001056 CC(Oc1ccc(Br)cc1)C(=O)NN 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P23 mock treatment 1.038 0.0061 0.18 1.032 2.76E-4 0.01 0.1308 0.7389 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2003 P24 mock treatment 1.075 0.0431 1.25 1.074 0.0423 1.25 1.7665 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A01 compound treatment 1.002 -0.0281 -0.81 1.019 -0.0112 -0.33 -0.8098 -0.9215 1702421 ChemDiv3_001057 CCc1nccn1C(=O)CCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A02 compound treatment 1.003 -0.0271 -0.78 0.994 -0.0362 -1.07 -1.312 -0.9884 1479194 ChemDiv3_001058 Clc1ccc(cc1)C(=O)Nc2cc3ccccc3oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A03 compound treatment 1.005 -0.0251 -0.73 1.002 -0.0282 -0.83 -1.1038 -0.9977 1673755 ChemDiv3_001059 Cc1ccc(cc1NC(=O)c2ccccc2)c3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A04 compound treatment 1.235 0.205 5.93 1.191 0.161 4.75 7.5576 0.994 3118598 ChemDiv3_001060 CC1=Nc2ccc(cc2C1(C)C)C(F)(F)F.[O-][N+](=O)c1cc([N+](=O)[O-])c([O-])c(c1)[N+](=O)[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A05 compound treatment 1.004 -0.0261 -0.76 0.993 -0.0372 -1.1 -1.3124 -0.9832 1545532 ChemDiv3_001061 Cc1ccccc1NC(=O)CCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A06 compound treatment 1.006 -0.0241 -0.7 0.995 -0.0352 -1.04 -1.2297 -0.9811 1235446 ChemDiv3_001062 COC(=O)c1c(C)oc2ccc(cc12)N(C(=O)Oc3ccccc3)S(=O)(=O)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A07 compound treatment 1.019 -0.0111 -0.32 0.984 -0.0462 -1.37 -1.1934 -0.8503 3118599 ChemDiv3_001063 CC1C(Cc2ccc(C)cc2)C(=O)N(C1=O)c3cccc(c3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A08 compound treatment 0.982 -0.0481 -1.39 0.998 -0.0322 -0.95 -1.6584 -0.9828 1351878 ChemDiv3_001064 CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)n2nc3ccccc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A09 compound treatment 1.005 -0.0251 -0.73 0.996 -0.0342 -1.01 -1.2292 -0.9869 1662979 ChemDiv3_001065 CCCc1cc2c(=O)c(c(C)oc2cc1OC(=O)C)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A10 compound treatment 1.029 -0.0011 -0.03 1.015 -0.0152 -0.45 -0.3405 -0.7555 1457143 ChemDiv3_001066 Cc1ccc(cc1)S(=O)(=O)N2C(C3CC2C=C3)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A11 compound treatment 1.006 -0.0241 -0.7 1.006 -0.0242 -0.72 -0.9997 -0.9999 3020384 ChemDiv3_001067 O=C/1OC(=N\C1=C/C=C/c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A12 compound treatment 0.989 -0.0411 -1.19 0.994 -0.0362 -1.07 -1.5987 -0.9986 3118600 ChemDiv3_001068 Clc1ccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(Cl)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A13 compound treatment 1.002 -0.0281 -0.81 0.992 -0.0382 -1.13 -1.3743 -0.9871 3020385 ChemDiv3_001069 CC(C)n1c(nc2ccccc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A14 compound treatment 1.01 -0.0201 -0.58 1.005 -0.0252 -0.75 -0.9387 -0.9925 1226119 ChemDiv3_001070 Brc1ccc(NC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A15 compound treatment 1.02 -0.0101 -0.29 1.007 -0.0232 -0.69 -0.6921 -0.9278 3020386 ChemDiv3_001071 N#Cc1c(/N=C/c2ccccc2)sc3CCCCc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A16 compound treatment 0.917 -0.113 -3.28 0.925 -0.105 -3.11 -4.5157 -0.9997 3118601 ChemDiv3_001072 CCC1=Nc2ccc(Br)cc2C(N1CC(=O)NN)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A17 compound treatment 1.011 -0.0191 -0.55 1.006 -0.0242 -0.72 -0.8973 -0.9919 1259740 ChemDiv3_001073 COc1ccc(cc1)C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A18 compound treatment 1.012 -0.0181 -0.52 1.001 -0.0292 -0.86 -0.9813 -0.9714 3020387 ChemDiv3_001074 CC[n+]1c(/C=C/N(C)c2ccccc2)sc3ccc(OC)cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A19 compound treatment 1.014 -0.0161 -0.47 1.016 -0.0142 -0.42 -0.6268 -0.9986 1267587 ChemDiv3_001075 CCOc1ccc2nc(ccc2c1)C3(CC4CC5CC(C4)C3)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A20 compound treatment 0.998 -0.0321 -0.93 1.011 -0.0192 -0.57 -1.059 -0.972 3020388 ChemDiv3_001076 CCN1/C(=C/C2=CC(=O)CC(C)(C)C2)/Sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A21 compound treatment 1.009 -0.0211 -0.61 0.999 -0.0312 -0.92 -1.0846 -0.98 3118602 ChemDiv3_001077 Cc1n[nH]c(=S)n(/N=C/c2ccccc2)c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A22 compound treatment 1.029 -0.0011 -0.03 1.007 -0.0232 -0.69 -0.5078 -0.7392 1512849 ChemDiv3_001078 COc1ccccc1OC(C)C(=O)NN 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A23 mock treatment 1.018 -0.0121 -0.35 1.009 -0.0212 -0.63 -0.6912 -0.9623 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 A24 mock treatment 1.026 -0.0041 -0.12 1.019 -0.0112 -0.33 -0.3183 -0.9043 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B01 compound treatment 0.984 -0.0461 -1.34 0.993 -0.0372 -1.1 -1.722 -0.9954 3118603 ChemDiv3_001079 Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(NCCO)nc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B02 compound treatment 0.99 -0.0401 -1.16 1.016 -0.0142 -0.42 -1.1183 -0.9054 1487953 ChemDiv3_001080 COC(=O)c1c(NC(=O)C(C)C)sc2CCCc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B03 compound treatment 1.002 -0.0281 -0.81 1.012 -0.0182 -0.54 -0.9562 -0.9799 1608654 ChemDiv3_001081 COC(=O)C1=C(CCS1)NC(=O)c2ccc(cc2)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B04 compound treatment 1.003 -0.0271 -0.78 1.01 -0.0202 -0.6 -0.9775 -0.9909 1203988 ChemDiv3_001082 Cc1ccc(C)n1c2cccc(N)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B05 compound treatment 0.993 -0.0371 -1.07 0.986 -0.0442 -1.31 -1.684 -0.9953 1593401 ChemDiv3_001083 CCCCn1c(S)nc2n(C)c(=O)[nH]c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B06 compound treatment 0.993 -0.0371 -1.07 0.982 -0.0482 -1.43 -1.7677 -0.9903 3020389 ChemDiv3_001084 OC(=O)c1ccc(/C=C\2/C(=O)NC(=O)N(C2=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B07 compound treatment 1.132 0.102 2.95 1.132 0.102 3.01 4.2148 1.0 1483637 ChemDiv3_001085 COc1cc(cc(OC)c1OC)C(=O)N=C2C(=CC(=O)C=C2C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B08 compound treatment 1.004 -0.0261 -0.76 0.996 -0.0342 -1.01 -1.2497 -0.9897 1211323 ChemDiv3_001086 COc1ccc(CNc2ccc(F)cc2C)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B09 compound treatment 1.011 -0.0191 -0.55 0.986 -0.0442 -1.31 -1.3154 -0.9268 1504008 ChemDiv3_001087 OC(=O)c1cccc(Nc2nc(c3ccccc3)c4ccccc4n2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B10 compound treatment 1.014 -0.0161 -0.47 1.011 -0.0192 -0.57 -0.7313 -0.9952 1495584 ChemDiv3_001088 CC1(C)Cc2c(C#N)c(NC(=O)C(c3ccccc3)c4ccccc4)sc2CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B11 compound treatment 1.023 -0.0071 -0.21 1.014 -0.0162 -0.48 -0.4843 -0.9287 1679056 ChemDiv3_001089 COc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCCc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B12 compound treatment 1.051 0.0209 0.61 1.007 -0.0232 -0.69 -0.0572 -0.0626 3118604 ChemDiv3_001090 CC(C)(C)/N=c\1/cccccc1NCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B13 compound treatment 0.98 -0.0501 -1.45 0.995 -0.0352 -1.04 -1.7621 -0.9867 3020431 ChemDiv3_001091 CC1=C/C(=C/c2ccco2)/C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B14 compound treatment 0.977 -0.0531 -1.54 0.983 -0.0472 -1.4 -2.0744 -0.9988 1567047 ChemDiv3_001092 COc1cc(cc(OC)c1OC)C2NCCS2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B15 compound treatment 1.066 0.0359 1.04 1.045 0.0148 0.44 1.0444 0.926 3118605 ChemDiv3_001093 Cn1c(=O)n(C)c2ncn(C=C)c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B16 compound treatment 1.029 -0.0011 -0.03 1.009 -0.0212 -0.63 -0.466 -0.7422 1521623 ChemDiv3_001094 Cc1ccccc1OCC(O)Cn2c3ccccc3c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B17 compound treatment 1.022 -0.0081 -0.23 1.03 -2.07E-4 -0.01 -0.1703 -0.7253 3020432 ChemDiv3_001095 Oc1ccccc1c2cc(cc(n2)c3ccccc3)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B18 compound treatment 0.993 -0.0371 -1.07 0.978 -0.0522 -1.54 -1.8513 -0.9843 1643074 ChemDiv3_001096 CN(C)c1ccc(cc1)C2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c5ccc(C)c(Cl)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B19 compound treatment 1.007 -0.0231 -0.67 1.009 -0.0212 -0.63 -0.9165 -0.9995 1726140 ChemDiv3_001097 CC1(C)Cc2c(sc3ncn4nc(COc5ccc(Cl)cc5)nc4c23)C(C)(C)N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B20 compound treatment 0.996 -0.0341 -0.99 0.995 -0.0352 -1.04 -1.4344 -0.9997 1237367 ChemDiv3_001098 O=C(C1c2ccccc2Oc3ccccc13)N4CCc5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B21 compound treatment 0.993 -0.0371 -1.07 0.992 -0.0382 -1.13 -1.5586 -0.9997 3020434 ChemDiv3_001099 CC(C)(C)OC(=O)NC(=N)n1cccn1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B22 compound treatment 1.059 0.0289 0.84 1.04 0.00979 0.29 0.7965 0.8994 1449384 ChemDiv3_001100 COc1ccccc1NC(=O)c2cccc(c2)S(=O)(=O)N3CCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B23 mock treatment 1.018 -0.0121 -0.35 1.03 -2.07E-4 -0.01 -0.2522 -0.7193 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 B24 mock treatment 1.029 -0.0011 -0.03 1.041 0.0108 0.32 0.203 0.6331 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C01 compound treatment 1.027 -0.0031 -0.09 1.031 7.93E-4 0.02 -0.047 -0.5057 1056652 ChemDiv3_001101 CC(C)(C)NC(=O)c1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C02 compound treatment 1.021 -0.0091 -0.26 1.032 0.00179 0.05 -0.1489 -0.5538 1434405 ChemDiv3_001102 O=C(COc1ccc2ccccc2c1)Oc3ccc(cc3)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C03 compound treatment 1.032 0.0019 0.05 1.02 -0.0102 -0.3 -0.1746 -0.5691 1247192 ChemDiv3_001103 CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C04 compound treatment 1.025 -0.0051 -0.15 1.05 0.0198 0.59 0.3093 0.5124 3020435 ChemDiv3_001104 COc1ccc(cc1)c2cs/c(=N\c3ccccc3)/n2CCCN(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C05 compound treatment 1.017 -0.0131 -0.38 1.006 -0.0242 -0.72 -0.7744 -0.956 1348473 ChemDiv3_001105 O=C(Nc1cccc2ccccc12)C3(CC4CC5CC(C4)C3)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C06 compound treatment 1.022 -0.0081 -0.23 1.019 -0.0112 -0.33 -0.4002 -0.9857 1500590 ChemDiv3_001106 O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C07 compound treatment 1.025 -0.0051 -0.15 1.021 -0.00921 -0.27 -0.297 -0.9588 1484356 ChemDiv3_001107 CCN(CC)C(=S)SCc1cn2cccc(C)c2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C08 compound treatment 1.02 -0.0101 -0.29 1.027 -0.00321 -0.09 -0.2739 -0.8906 3020436 ChemDiv3_001108 O=C(Nc1ccc(C#N)cc1)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C09 compound treatment 1.044 0.0139 0.4 1.061 0.0308 0.91 0.9284 0.9326 1425597 ChemDiv3_001109 CCOC(=O)c1ccc(o1)c2coc3cc(OC(=O)C)c(CC)cc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C10 compound treatment 1.033 0.0029 0.08 1.009 -0.0212 -0.63 -0.384 -0.6071 3118606 ChemDiv3_001110 O=C(Nc1ccccc1)/C(=C/c2ccccc2)/NC(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C11 compound treatment 1.02 -0.0101 -0.29 1.024 -0.00621 -0.18 -0.3367 -0.9747 3020437 ChemDiv3_001111 COc1ccccc1/C=C/C/2=N/C(=C\c3ccc4OCOc4c3)/C(=O)O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C12 compound treatment 1.029 -0.0011 -0.03 1.032 0.00179 0.05 0.0149 0.2406 3118607 ChemDiv3_001112 Cc1ccc(cc1)N2C(=O)NC(=O)/C(=C\c3ccccc3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C13 compound treatment 1.03 -1.03E-4 0.0 1.028 -0.00221 -0.07 -0.0483 -0.7388 1917708 ChemDiv3_001113 Sc1nc2ccccc2n1Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C14 compound treatment 1.013 -0.0171 -0.5 1.014 -0.0162 -0.48 -0.6891 -0.9999 1591681 ChemDiv3_001114 Cc1cc(C)c2C3C=CCC3C(N4CC5CC=CC5c1c42)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C15 compound treatment 0.913 -0.117 -3.39 0.918 -0.112 -3.32 -4.7439 -0.9999 3118901 ChemDiv3_001115 Cc1sc(/N=C/c2cn(Cc3ccccc3)c4ccccc24)c(C#N)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C16 compound treatment 1.011 -0.0191 -0.55 1.004 -0.0262 -0.77 -0.9391 -0.9864 3118746 ChemDiv3_001116 CSc1ccc(/C=N/N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C17 compound treatment 1.032 0.0019 0.05 0.996 -0.0342 -1.01 -0.6763 -0.6677 1358774 ChemDiv3_001117 Clc1ccc(cc1)C(=O)COC(=O)C2CC=CCC2C(=O)OCC(=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C18 compound treatment 1.032 0.0019 0.05 1.015 -0.0152 -0.45 -0.2791 -0.6161 3118747 ChemDiv3_001118 CC[n+]1ccccc1/C=C/N(C(=O)C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C19 compound treatment 1.039 0.0089 0.26 1.031 7.93E-4 0.02 0.1988 0.7683 1915904 ChemDiv3_001119 O=C1NC(=O)/C(=C\c2ccco2)/C(=O)N1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C20 compound treatment 1.036 0.0059 0.17 1.03 -2.07E-4 -0.01 0.1164 0.6813 3118748 ChemDiv3_001120 Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)no1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C21 compound treatment 1.03 -1.03E-4 0.0 1.022 -0.00821 -0.24 -0.1737 -0.7158 3020438 ChemDiv3_001121 Cc1n[nH]c(=S)n(/N=C/C=C/c2ccccc2)c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C22 compound treatment 1.016 -0.0141 -0.41 1.035 0.00479 0.14 -0.1886 -0.4363 1314862 ChemDiv3_001122 CC(Oc1ccc2ccccc2c1)C(=O)NN 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C23 mock treatment 1.023 -0.0071 -0.21 1.026 -0.00421 -0.12 -0.2334 -0.971 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 C24 mock treatment 1.14 0.11 3.18 1.116 0.0858 2.54 4.0441 0.9937 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D01 compound treatment 1.024 -0.0061 -0.18 1.023 -0.00721 -0.21 -0.2757 -0.9957 3020439 ChemDiv3_001123 Clc1ccc(cc1)c2ncc3ccccn23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D02 compound treatment 1.016 -0.0141 -0.41 1.031 7.93E-4 0.02 -0.2722 -0.6654 1146210 ChemDiv3_001124 CN(C)CCNc1cnn(c2ccccc2)c(=O)c1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D03 compound treatment 1.025 -0.0051 -0.15 1.028 -0.00221 -0.07 -0.1506 -0.9325 1432100 ChemDiv3_001125 COC(=O)C1=C(CCS1)NC(=O)c2ccc(cc2)S(=O)(=O)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D04 compound treatment 1.003 -0.0271 -0.78 1.004 -0.0262 -0.77 -1.1029 -1.0 1339626 ChemDiv3_001126 OC(=O)CCC(=O)Nc1sc2CCCCc2c1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D05 compound treatment 1.007 -0.0231 -0.67 1.003 -0.0272 -0.8 -1.0419 -0.9958 1228834 ChemDiv3_001127 CCCCc1c(O)nc(SCCN(C)C)n(c2ccccc2)c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D06 compound treatment 1.031 8.97E-4 0.03 1.032 0.00179 0.05 0.0558 0.9461 3020440 ChemDiv3_001128 OC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D07 compound treatment 1.035 0.0049 0.14 1.026 -0.00421 -0.12 0.0123 0.0653 1175621 ChemDiv3_001129 Cc1c(Cl)c(O)c(Cl)c(C)c1N(S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D08 compound treatment 1.03 -1.03E-4 0.0 1.017 -0.0132 -0.39 -0.2782 -0.7125 1419799 ChemDiv3_001130 COc1ccc(CNCc2cccc(OC)c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D09 compound treatment 1.013 -0.0171 -0.5 1.01 -0.0202 -0.6 -0.7727 -0.9957 1117976 ChemDiv3_001131 CCOC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D10 compound treatment 1.007 -0.0231 -0.67 1.017 -0.0132 -0.39 -0.7492 -0.9671 1501667 ChemDiv3_001132 COC(=O)c1ccc(Oc2nc(OC)nc(n2)N(C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D11 compound treatment 1.023 -0.0071 -0.21 1.018 -0.0122 -0.36 -0.4007 -0.9645 3118749 ChemDiv3_001133 COc1ccc(cc1)C(=O)N2N3ON=C(N3c4ccccc24)c5c(C)cc(C)cc5C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D12 compound treatment 1.029 -0.0011 -0.03 1.011 -0.0192 -0.57 -0.4241 -0.7457 1634877 ChemDiv3_001134 Cc1nc(=O)c(c(C)n1c2ccc(cc2)C(=O)O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D13 compound treatment 1.015 -0.0151 -0.44 1.031 7.93E-4 0.02 -0.2927 -0.6682 3118750 ChemDiv3_001135 COc1ccc(OC)c(c1)c2cc(on2)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D14 compound treatment 1.024 -0.0061 -0.18 1.025 -0.00521 -0.15 -0.2338 -0.9976 1149659 ChemDiv3_001136 Cc1cc(nn1C(CC(=O)O)C(=O)O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D15 compound treatment 1.004 -0.0261 -0.76 1.013 -0.0172 -0.51 -0.8943 -0.9814 3020658 ChemDiv3_001137 Cn1c(=O)n(Cc2ccccc2)c(=O)c3n(Cc4ccccc4)c(Cl)nc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D16 compound treatment 1.036 0.0059 0.17 1.023 -0.00721 -0.21 -0.0299 -0.1096 1680766 ChemDiv3_001138 NS(=O)(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)N3CCOCC3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D17 compound treatment 1.045 0.0149 0.43 1.047 0.0168 0.5 0.6561 0.9975 1707287 ChemDiv3_001139 COc1ccc(cc1)c2nc(=O)c3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D18 compound treatment 1.033 0.0029 0.08 1.018 -0.0122 -0.36 -0.1959 -0.5287 3118751 ChemDiv3_001140 Cc1nc2ccccc2c(=O)n1NC(=O)/C=C/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D19 compound treatment 1.038 0.0079 0.23 1.032 0.00179 0.05 0.1992 0.8485 1655686 ChemDiv3_001141 C(Oc1ccccc1)c2nc3c4c5CCCCc5sc4ncn3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D20 compound treatment 1.03 -1.03E-4 0.0 1.034 0.00379 0.11 0.0772 0.688 1270051 ChemDiv3_001142 CCN(C(=O)C1c2ccccc2Oc3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D21 compound treatment 1.069 0.0389 1.13 1.052 0.0218 0.64 1.2522 0.9649 3020662 ChemDiv3_001143 CC(C)(C)N1Sc2ccccc2NC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D22 compound treatment 1.044 0.0139 0.4 1.038 0.00779 0.23 0.4475 0.965 1371498 ChemDiv3_001144 Clc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCCCCC3)nc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D23 mock treatment 1.025 -0.0051 -0.15 1.037 0.00679 0.2 0.0375 0.1504 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 D24 mock treatment 1.045 0.0149 0.43 1.038 0.00779 0.23 0.468 0.9568 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E01 compound treatment 1.035 0.0049 0.14 1.028 -0.00221 -0.07 0.0541 0.3468 3020664 ChemDiv3_001145 NN(CCC#N)C1=NS(=O)(=O)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E02 compound treatment 1.031 8.97E-4 0.03 1.032 0.00179 0.05 0.0558 0.9461 1565298 ChemDiv3_001146 Cc1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E03 compound treatment 1.034 0.0039 0.11 1.028 -0.00221 -0.07 0.0337 0.2582 1023964 ChemDiv3_001147 O=c1cc(ss1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E04 compound treatment 1.024 -0.0061 -0.18 1.017 -0.0132 -0.39 -0.4011 -0.9358 1128679 ChemDiv3_001148 OC(=O)C1CCCN(C1)S(=O)(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E05 compound treatment 1.021 -0.0091 -0.26 1.017 -0.0132 -0.39 -0.4625 -0.9817 3020666 ChemDiv3_001149 NC(=O)c1cccc(/N=C/c2cccc(Cl)c2Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E06 compound treatment 1.013 -0.0171 -0.5 1.02 -0.0102 -0.3 -0.5636 -0.9718 1433984 ChemDiv3_001150 COC(=O)C1=C(C)NC2=C(C1c3ccccc3)C(=O)CC(C2)c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E07 compound treatment 1.031 8.97E-4 0.03 1.033 0.00279 0.08 0.0768 0.8866 1622867 ChemDiv3_001151 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E08 compound treatment 1.312 0.282 8.16 1.234 0.204 6.03 10.0334 0.9888 3118752 ChemDiv3_001152 CC(C)c1cc(C(C)C)c(N)c(c1)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E09 compound treatment 1.03 -1.03E-4 0.0 1.018 -0.0122 -0.36 -0.2573 -0.713 3020668 ChemDiv3_001153 CC(C)OC(=O)CCN1C(=O)/C(=C/c2ccccc2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E10 compound treatment 0.994 -0.0361 -1.05 1.001 -0.0292 -0.86 -1.35 -0.9955 1484844 ChemDiv3_001154 CC(=O)Nc1ccc(cc1)N2C(SCC2=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E11 compound treatment 1.019 -0.0111 -0.32 1.009 -0.0212 -0.63 -0.6707 -0.9519 1314682 ChemDiv3_001155 O=C(Nc1nccs1)c2cccc(c2)S(=O)(=O)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E12 compound treatment 1.031 8.97E-4 0.03 1.028 -0.00221 -0.07 -0.0278 -0.3956 3020722 ChemDiv3_001156 COc1cc(/C=C\2/S/C(=N\c3cc(C)cc(C)c3)/NC2=O)cc(Br)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E13 compound treatment 1.078 0.0479 1.39 1.076 0.0458 1.35 1.9382 0.9999 1326481 ChemDiv3_001157 Sc1nnc(CCn2c3ccccc3c4ccccc24)n1CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E14 compound treatment 1.035 0.0049 0.14 1.025 -0.00521 -0.15 -0.0086 -0.041 3020724 ChemDiv3_001158 Cc1ccc(cc1)c2nnc(SCC=C)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E15 compound treatment 1.024 -0.0061 -0.18 1.01 -0.0202 -0.6 -0.5474 -0.8787 1337418 ChemDiv3_001159 O=S(=O)(N1CCCCC1)c2ccc3ccccc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E16 compound treatment 1.03 -1.03E-4 0.0 1.031 7.93E-4 0.02 0.0145 0.6118 3020725 ChemDiv3_001160 CN(/N=C/c1cccc(Br)c1)S(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E17 compound treatment 1.015 -0.0151 -0.44 1.025 -0.00521 -0.15 -0.4182 -0.9018 1502789 ChemDiv3_001161 Cc1ccc(cc1)C(=O)Nc2cc3ccccc3oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E18 compound treatment 1.017 -0.0131 -0.38 1.022 -0.00821 -0.24 -0.4399 -0.9767 1562439 ChemDiv3_001162 OCCc1c(c2ccccc2)n(Cc3ccccc3)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E19 compound treatment 0.906 -0.124 -3.59 0.927 -0.103 -3.05 -4.6991 -0.9967 1347662 ChemDiv3_001163 CC(NC(=O)COc1ccccc1C(C)(C)C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E20 compound treatment 1.041 0.0109 0.32 1.039 0.00879 0.26 0.407 0.9954 3118753 ChemDiv3_001164 OC(=O)/C=C/C(=O)Nc1sc2CCCc2c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E21 compound treatment 1.027 -0.0031 -0.09 1.028 -0.00221 -0.07 -0.1097 -0.9876 1411190 ChemDiv3_001165 COC(=O)C1=C(C)NC(=C(C1c2ccc(cc2)C(C)C)C(=O)OC)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E22 compound treatment 1.023 -0.0071 -0.21 1.02 -0.0102 -0.3 -0.3589 -0.9826 3118754 ChemDiv3_001166 COc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E23 mock treatment 1.278 0.248 7.18 1.221 0.191 5.64 9.0653 0.9929 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 E24 mock treatment 1.022 -0.0081 -0.23 1.009 -0.0212 -0.63 -0.6093 -0.9101 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F01 compound treatment 1.033 0.0029 0.08 1.019 -0.0112 -0.33 -0.175 -0.5119 1523805 ChemDiv3_001167 Clc1ccc(cc1Cl)c2csc(NC(=O)C3CC3)n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F02 compound treatment 1.021 -0.0091 -0.26 1.03 -2.07E-4 -0.01 -0.1907 -0.7233 1457223 ChemDiv3_001168 COc1ccccc1NC(=O)CSc2nc3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F03 compound treatment 1.028 -0.0021 -0.06 1.029 -0.00121 -0.04 -0.0683 -0.9675 1694096 ChemDiv3_001169 Cc1nc2cc(NC(=O)c3ccc(cc3)N4C(=O)CCC4=O)ccc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F04 compound treatment 1.005 -0.0251 -0.73 1.008 -0.0222 -0.66 -0.9783 -0.9987 1719103 ChemDiv3_001170 CCC1(CC)Cc2ccccc2-c3nc4SCCn4c(=O)c31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F05 compound treatment 1.049 0.0189 0.55 1.018 -0.0122 -0.36 0.1318 0.201 1784397 ChemDiv3_001171 CCCCc1c(O)nc(SCCC(=O)O)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F06 compound treatment 1.021 -0.0091 -0.26 1.029 -0.00121 -0.04 -0.2117 -0.7956 3118755 ChemDiv3_001172 COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F07 compound treatment 1.018 -0.0121 -0.35 1.031 7.93E-4 0.02 -0.2313 -0.6583 1922655 ChemDiv3_001173 Cc1ccc(cc1)N2C(=O)/C(=C/C=C/c3ccccc3)/SC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F08 compound treatment 1.006 -0.0241 -0.7 1.003 -0.0272 -0.8 -1.0624 -0.9975 1328915 ChemDiv3_001174 COc1cccc(c1)N2C(=O)CC(SCC(=O)Nc3ccc4ccccc4c3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F09 compound treatment 1.038 0.0079 0.23 1.03 -2.07E-4 -0.01 0.1574 0.6879 1522826 ChemDiv3_001175 Cc1ccc2n(C)cc(C(=O)O)c(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F10 compound treatment 1.018 -0.0121 -0.35 1.026 -0.00421 -0.12 -0.3358 -0.9029 3118902 ChemDiv3_001176 O=C(COC(=O)c1cccs1)c2ccc3OCCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F11 compound treatment 1.021 -0.0091 -0.26 1.034 0.00379 0.11 -0.1071 -0.3739 3118903 ChemDiv3_001177 Cc1cc(C)c(C2=NON3N(C(=O)c4cccs4)c5ccccc5N32)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F12 compound treatment 1.03 -1.03E-4 0.0 0.998 -0.0322 -0.95 -0.6755 -0.7093 1311807 ChemDiv3_001178 Cc1noc(n1)c2ccccc2OC(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F13 compound treatment 1.037 0.0069 0.2 1.026 -0.00421 -0.12 0.0533 0.2264 3020393 ChemDiv3_001179 CCOC(=O)c1cc(no1)c2cc(OC)ccc2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F14 compound treatment 1.029 -0.0011 -0.03 1.022 -0.00821 -0.24 -0.1942 -0.7934 1637396 ChemDiv3_001180 COc1nc(C)nc(NCC=C)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F15 compound treatment 0.919 -0.111 -3.22 0.927 -0.103 -3.05 -4.4329 -0.9996 3118904 ChemDiv3_001181 Cc1ccc(cc1)C2C(=C(Oc3ccccc23)c4cccs4)C=C5C(=O)NC(=O)NC5=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F16 compound treatment 1.037 0.0069 0.2 1.026 -0.00421 -0.12 0.0533 0.2264 1442359 ChemDiv3_001182 COc1ccc(OCC(O)Cn2nc(C)cc2C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F17 compound treatment 1.039 0.0089 0.26 1.03 -2.07E-4 -0.01 0.1779 0.6901 3118905 ChemDiv3_001183 CN(C)c1ccc(N/C=C/2\N=C(OC2=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F18 compound treatment 1.098 0.0679 1.97 1.064 0.0338 1.0 2.0969 0.9507 1362058 ChemDiv3_001184 COc1cccc(CC(=O)Nn2c(C)nc3ccccc3c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F19 compound treatment 1.032 0.0019 0.05 1.042 0.0118 0.35 0.2854 0.8085 3118906 ChemDiv3_001185 C1CCc2c(C1)sc3ncn4nc(nc4c23)c5cccnc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F20 compound treatment 1.043 0.0129 0.37 1.027 -0.00321 -0.09 0.1971 0.5114 1616159 ChemDiv3_001186 Cc1ccc(CNC(=O)C2c3ccccc3Oc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F21 compound treatment 1.03 -1.03E-4 0.0 1.027 -0.00321 -0.09 -0.0692 -0.7291 1782607 ChemDiv3_001187 CCC(CC(C)(C)O)c1n[nH]c(=S)n1CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F22 compound treatment 1.034 0.0039 0.11 1.031 7.93E-4 0.02 0.0964 0.8362 3118907 ChemDiv3_001188 O=C(CSC1=NC(=O)C(C(=O)N1)c2ccccc2)NC3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F23 mock treatment 1.031 8.97E-4 0.03 1.035 0.00479 0.14 0.1186 0.823 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 F24 mock treatment 1.045 0.0149 0.43 1.063 0.0328 0.97 0.9906 0.9335 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G01 compound treatment 1.016 -0.0141 -0.41 1.024 -0.00621 -0.18 -0.4186 -0.9348 3020400 ChemDiv3_001189 C=CCn1c(n[nH]c1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G02 compound treatment 1.016 -0.0141 -0.41 1.02 -0.0102 -0.3 -0.5022 -0.9889 1285595 ChemDiv3_001190 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc-3c(CCc4ccccc34)s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G03 compound treatment 1.084 0.0539 1.56 1.08 0.0498 1.47 2.1447 0.9996 1230309 ChemDiv3_001191 C[N+]1(CCC2CC1)C(=C)C2(O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G04 compound treatment 1.04 0.0099 0.29 1.032 0.00179 0.05 0.2402 0.8239 3118908 ChemDiv3_001192 COc1ccc2c(C)cc(Sc3nnnn3c4ccccc4)nc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G05 compound treatment 1.005 -0.0251 -0.73 1.014 -0.0162 -0.48 -0.8529 -0.9795 3020403 ChemDiv3_001193 Cc1ccc(/N=C\2/C(=O)Nc3ccccc23)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G06 compound treatment 1.027 -0.0031 -0.09 1.031 7.93E-4 0.02 -0.047 -0.5057 1391577 ChemDiv3_001194 COC(=O)C1=C(C)NC2=C(C1c3ccccc3OC(C)C)C(=O)CC(C2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G07 compound treatment 1.017 -0.0131 -0.38 1.02 -0.0102 -0.3 -0.4817 -0.9936 1779181 ChemDiv3_001195 Cc1cc(=O)[nH]c(SC(C(=O)O)c2ccccc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G08 compound treatment 1.011 -0.0191 -0.55 1.027 -0.00321 -0.09 -0.4583 -0.8164 1705952 ChemDiv3_001196 O=C(C(Sc1nc2ccccc2[nH]1)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G09 compound treatment 1.04 0.0099 0.29 1.04 0.00979 0.29 0.4074 1.0 3020442 ChemDiv3_001197 COc1ccc(/C=N/N2C(=O)/C(=C/c3ccc(OC)cc3)/SC2=S)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G10 compound treatment 1.0 -0.0301 -0.87 1.015 -0.0152 -0.45 -0.9344 -0.9526 1503189 ChemDiv3_001198 CNC(=O)c1ccc2nc(N)sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G11 compound treatment 1.017 -0.0131 -0.38 1.004 -0.0262 -0.77 -0.8162 -0.9461 1316072 ChemDiv3_001199 O=S(=O)(N1CCCC1)c2cccc(c2)c3nnc(o3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G12 compound treatment 1.021 -0.0091 -0.26 0.991 -0.0392 -1.16 -1.0061 -0.8463 3118909 ChemDiv3_001200 Cc1cc(/C=C/2\SC(=O)NC2=O)c(C)n1c3cc(C)cc(C)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G13 compound treatment 1.076 0.0459 1.33 1.036 0.00579 0.17 1.061 0.7917 3020445 ChemDiv3_001201 CC(=C)Cn1c(SCC(=O)O)nnc1c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G14 compound treatment 1.023 -0.0071 -0.21 1.016 -0.0142 -0.42 -0.4425 -0.9461 3118910 ChemDiv3_001202 Cc1ccc(cc1)c2nnc(SC(=O)OCc3ccccc3)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G15 compound treatment 1.009 -0.0211 -0.61 1.002 -0.0282 -0.83 -1.0219 -0.9883 3118911 ChemDiv3_001203 COc1ccc(cc1)n2cnc3cc(/N=C/c4nc5ccccc5n4C)ccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G16 compound treatment 1.015 -0.0151 -0.44 1.022 -0.00821 -0.24 -0.4809 -0.9614 3020449 ChemDiv3_001204 CN(/N=C/c1ccc(C)cc1)S(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G17 compound treatment 1.022 -0.0081 -0.23 1.03 -2.07E-4 -0.01 -0.1703 -0.7253 3118912 ChemDiv3_001205 CCCCC(=O)/C=C/n1c(=S)oc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G18 compound treatment 1.021 -0.0091 -0.26 1.025 -0.00521 -0.15 -0.2953 -0.9672 3020450 ChemDiv3_001206 CNCCc1c(c2ccccc2)n(c3ccccc3)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G19 compound treatment 1.153 0.123 3.56 1.106 0.0758 2.24 4.1013 0.9751 1598116 ChemDiv3_001207 CC(C)(C)c1ccccc1OCC(=O)Nc2cccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G20 compound treatment 1.045 0.0149 0.43 1.046 0.0158 0.47 0.6352 0.9992 1411248 ChemDiv3_001208 CC(C)(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C31C(=O)Nc4ccccc43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G21 compound treatment 1.025 -0.0051 -0.15 1.026 -0.00421 -0.12 -0.1925 -0.9963 1864191 ChemDiv3_001209 CCC(Sc1n[nH]c(=O)[nH]c1=O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G22 compound treatment 1.039 0.0089 0.26 1.039 0.00879 0.26 0.366 1.0 3020455 ChemDiv3_001210 O=C/1N(Cc2ccccc2)C(=S)S\C1=C/c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G23 mock treatment 1.034 0.0039 0.11 1.016 -0.0142 -0.42 -0.2172 -0.4994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 G24 mock treatment 1.085 0.0549 1.59 1.109 0.0788 2.33 2.7715 0.9827 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H01 compound treatment 1.0 -0.0301 -0.87 1.027 -0.00321 -0.09 -0.6835 -0.7794 3118913 ChemDiv3_001211 O=C(/C(=C/1\Nc2ccccc2S1)/C#N)c3ccc(cc3)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H02 compound treatment 1.026 -0.0041 -0.12 1.033 0.00279 0.08 -0.0256 -0.1772 3020457 ChemDiv3_001212 FC(F)(F)c1cccc(c1)N2C(=O)CC(C3CCCO3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H03 compound treatment 1.047 0.0169 0.49 1.038 0.00779 0.23 0.5089 0.941 1133915 ChemDiv3_001213 CC1CCc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H04 compound treatment 1.015 -0.0151 -0.44 1.033 0.00279 0.08 -0.2509 -0.5636 1679724 ChemDiv3_001214 OC(=O)CCSc1nc2ccccc2n1C3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H05 compound treatment 1.018 -0.0121 -0.35 1.02 -0.0102 -0.3 -0.4612 -0.9972 3118914 ChemDiv3_001215 COc1ccc(OC)c(N/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H06 compound treatment 1.033 0.0029 0.08 1.014 -0.0162 -0.48 -0.2795 -0.5746 3020524 ChemDiv3_001216 Clc1ccc(SCCc2nc3ccccc3o2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H07 compound treatment 1.021 -0.0091 -0.26 1.033 0.00279 0.08 -0.128 -0.4634 1413360 ChemDiv3_001217 Clc1ccc(SCC2=NN(C(=O)C2)c3nc4ccccc4s3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H08 compound treatment 1.031 8.97E-4 0.03 1.051 0.0208 0.61 0.4531 0.7363 1533668 ChemDiv3_001218 Cc1ccc(SC2=NS(=O)(=O)c3ccccc23)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H09 compound treatment 1.004 -0.0261 -0.76 0.992 -0.0382 -1.13 -1.3333 -0.9809 3118915 ChemDiv3_001219 COc1ccc(OCCSc2nc3ccccc3s2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H10 compound treatment 1.013 -0.0171 -0.5 0.999 -0.0312 -0.92 -1.0027 -0.9575 1368307 ChemDiv3_001220 COc1ccc(cc1)C(=O)CSc2nc3cc(OC)ccc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H11 compound treatment 0.888 -0.142 -4.12 0.902 -0.128 -3.79 -5.5904 -0.9992 1480108 ChemDiv3_001221 COc1cc(cc(OC)c1OC)C(=O)NCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H12 compound treatment 1.03 -1.03E-4 0.0 1.024 -0.00621 -0.18 -0.1319 -0.7186 1571229 ChemDiv3_001222 COc1ccc(cc1)C(=O)CC(CC(=O)c2ccc(OC)cc2)C#Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H13 compound treatment 1.061 0.0309 0.89 1.053 0.0228 0.67 1.1092 0.9902 1449253 ChemDiv3_001223 CC(=O)Oc1ccc(cc1)N(C(=O)C)S(=O)(=O)c2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H14 compound treatment 1.058 0.0279 0.81 1.049 0.0188 0.56 0.9642 0.9833 3020527 ChemDiv3_001224 COc1nc(nc(C)c1Br)N(CC=C)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H15 compound treatment 0.913 -0.117 -3.39 0.914 -0.116 -3.44 -4.8276 -1.0 1303506 ChemDiv3_001225 COc1ccc(CCn2c(C)nc(=O)c(c2C)c3ccccc3)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H16 compound treatment 1.079 0.0489 1.42 1.105 0.0748 2.21 2.565 0.9768 1333831 ChemDiv3_001226 NS(=O)(=O)c1ccc(cc1)N2C(=O)C3CC=CCC3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H17 compound treatment 1.025 -0.0051 -0.15 1.048 0.0178 0.53 0.2675 0.4895 3020529 ChemDiv3_001227 CCc1cc2c(=O)oc(nc2s1)c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H18 compound treatment 1.028 -0.0021 -0.06 1.01 -0.0202 -0.6 -0.4655 -0.7752 1332696 ChemDiv3_001228 CCC(C)NC(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H19 compound treatment 1.027 -0.0031 -0.09 1.019 -0.0112 -0.33 -0.2979 -0.8676 1174891 ChemDiv3_001229 OC(=O)C1CC(=C(CC1C(=O)c2ccccc2)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H20 compound treatment 1.043 0.0129 0.37 1.031 7.93E-4 0.02 0.2807 0.75 1219244 ChemDiv3_001230 CCCNC(=O)N(C)c1nncnc1C(=O)NC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H21 compound treatment 1.015 -0.0151 -0.44 1.02 -0.0102 -0.3 -0.5227 -0.9836 1493398 ChemDiv3_001231 O=C1N(CC2OCc3ccccc3CO2)C(=O)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H22 compound treatment 1.035 0.0049 0.14 1.038 0.00779 0.23 0.2632 0.9728 1293274 ChemDiv3_001232 Nc1nc(CSc2nnc3c4ccccc4[nH]c3n2)cs1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H23 mock treatment 1.035 0.0049 0.14 1.024 -0.00621 -0.18 -0.0295 -0.1272 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 H24 mock treatment 1.024 -0.0061 -0.18 1.032 0.00179 0.05 -0.0875 -0.4742 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I01 compound treatment 1.012 -0.0181 -0.52 1.024 -0.00621 -0.18 -0.5005 -0.901 3119049 ChemDiv3_001233 CCn1c(n[nH]c1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I02 compound treatment 1.026 -0.0041 -0.12 1.007 -0.0232 -0.69 -0.5692 -0.8174 3020534 ChemDiv3_001234 Cc1nc(SCC(=O)O)c2c3CCCCc3sc2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I03 compound treatment 1.043 0.0129 0.37 1.027 -0.00321 -0.09 0.1971 0.5114 1118354 ChemDiv3_001235 Cc1ccc(cc1)C(=O)Nc2ccc3OCCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I04 compound treatment 1.003 -0.0271 -0.78 1.01 -0.0202 -0.6 -0.9775 -0.9909 1277083 ChemDiv3_001236 CCOC(=O)c1[nH]cnc1C(=O)Nc2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I05 compound treatment 1.008 -0.0221 -0.64 1.007 -0.0232 -0.69 -0.9378 -0.9994 3119050 ChemDiv3_001237 COc1ccc(/C=N/n2cnc3n(C)c(=O)n(\N=C\c4ccc(OC)cc4)c(=O)c23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I06 compound treatment 1.018 -0.0121 -0.35 1.023 -0.00721 -0.21 -0.3985 -0.9715 3020597 ChemDiv3_001238 COC(=O)Sc1nnc(o1)c2ccc(Br)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I07 compound treatment 1.019 -0.0111 -0.32 1.005 -0.0252 -0.75 -0.7544 -0.9294 3020599 ChemDiv3_001239 Cc1cc(=O)[nH]c(SCC(=O)N)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I08 compound treatment 1.039 0.0089 0.26 1.048 0.0178 0.53 0.5542 0.9461 3119051 ChemDiv3_001240 Cc1ccc(/N=C(\NC(=S)N)/c2ccccc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I09 compound treatment 1.021 -0.0091 -0.26 1.012 -0.0182 -0.54 -0.5671 -0.9461 3020601 ChemDiv3_001241 CN1CCN(CC1)NC(=O)CCN2C(=O)/C(=C\c3ccccc3)/SC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I10 compound treatment 1.007 -0.0231 -0.67 1.012 -0.0182 -0.54 -0.8538 -0.9942 3119052 ChemDiv3_001242 CN(C)c1cc[n+](cc1)C(=O)N2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I11 compound treatment 1.012 -0.0181 -0.52 1.013 -0.0172 -0.51 -0.7305 -0.9999 3119053 ChemDiv3_001243 COc1ccccc1NC(=O)c/2cc3ccccc3o\c2=N/c4ccccc4F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I12 compound treatment 1.009 -0.0211 -0.61 1.01 -0.0202 -0.6 -0.8546 -0.9999 1781772 ChemDiv3_001244 Cc1cc(/C=C(\C#N)/c2ccccc2)c(C)n1c3cc(C)cc(C)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I13 compound treatment 1.002 -0.0281 -0.81 0.998 -0.0322 -0.95 -1.2488 -0.9969 1709347 ChemDiv3_001245 COc1ccc(cc1OC)c2nnc(S)n2c3ccccc3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I14 compound treatment 0.994 -0.0361 -1.05 1.003 -0.0272 -0.8 -1.3081 -0.9916 1417740 ChemDiv3_001246 OC(COc1cccc2cccnc12)Cn3c4ccccc4c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I15 compound treatment 1.009 -0.0211 -0.61 0.997 -0.0332 -0.98 -1.1264 -0.974 1639763 ChemDiv3_001247 CC(C)(C)c1ccc(Cn2c(=N)n(CC(=O)O)c3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I16 compound treatment 0.991 -0.0391 -1.13 1.015 -0.0152 -0.45 -1.1187 -0.9181 3119054 ChemDiv3_001248 COc1ccc(CC/N=C/2\SCC(=O)N2Cc3ccccc3)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I17 compound treatment 1.005 -0.0251 -0.73 1.012 -0.0182 -0.54 -0.8947 -0.9891 3020607 ChemDiv3_001249 Oc1ccccc1/C=N/N2C(=O)C3C4CC(C=C4)C3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I18 compound treatment 1.028 -0.0021 -0.06 1.022 -0.00821 -0.24 -0.2147 -0.858 1913826 ChemDiv3_001250 COc1ccc(cc1)n2ccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I19 compound treatment 1.019 -0.0111 -0.32 1.017 -0.0132 -0.39 -0.5035 -0.9953 3119055 ChemDiv3_001251 CCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3cccc(Cl)c3)/c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I20 compound treatment 1.027 -0.0031 -0.09 1.022 -0.00821 -0.24 -0.2351 -0.9087 1707679 ChemDiv3_001252 Cc1ccc(Oc2ccccc2)c(NC(=O)c3ccccc3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I21 compound treatment 1.021 -0.0091 -0.26 1.009 -0.0212 -0.63 -0.6298 -0.9259 1775109 ChemDiv3_001253 CC(C)n1c(=S)[nH]c2n(C)c(=O)[nH]c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I22 compound treatment 1.0 -0.0301 -0.87 1.012 -0.0182 -0.54 -0.9971 -0.9732 3020611 ChemDiv3_001254 Oc1ccc(CN2CCCC2)c3cccnc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I23 mock treatment 1.026 -0.0041 -0.12 1.015 -0.0152 -0.45 -0.402 -0.8643 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 I24 mock treatment 1.103 0.0729 2.11 1.135 0.105 3.1 3.6837 0.9825 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J01 compound treatment 1.004 -0.0261 -0.76 1.003 -0.0272 -0.8 -1.1034 -0.9995 3119056 ChemDiv3_001255 CN1/C(=C(\C#N)/C(=O)c2ccc(F)cc2)/Nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J02 compound treatment 1.011 -0.0191 -0.55 1.007 -0.0232 -0.69 -0.8764 -0.9943 3020669 ChemDiv3_001256 COc1ccc(Br)cc1/C=C/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J03 compound treatment 1.018 -0.0121 -0.35 1.015 -0.0152 -0.45 -0.5658 -0.9924 3119057 ChemDiv3_001257 CC1=C(C(c2ccccc2)n3c(=O)/c(=C/c4cccs4)/sc3=N1)C(=O)Nc5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J04 compound treatment 1.009 -0.0211 -0.61 1.01 -0.0202 -0.6 -0.8546 -0.9999 3020672 ChemDiv3_001258 Fc1ccccc1OCCSc2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J05 compound treatment 1.012 -0.0181 -0.52 1.0 -0.0302 -0.89 -1.0022 -0.9678 3119058 ChemDiv3_001259 FC(F)(F)c1cccc(N/C=C(/C#N)\c2nc(cs2)c3ccc4OCOc4c3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J06 compound treatment 0.997 -0.0331 -0.96 1.014 -0.0162 -0.48 -1.0167 -0.9486 3020674 ChemDiv3_001260 O=C/1N\C(=N/S(=O)(=O)c2ccccc2)\S\C1=C\c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J07 compound treatment 1.026 -0.0041 -0.12 1.019 -0.0112 -0.33 -0.3183 -0.9043 3119059 ChemDiv3_001261 CC1(C)CC(=O)C(=CNC2CCCC2)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J08 compound treatment 1.029 -0.0011 -0.03 1.028 -0.00221 -0.07 -0.0687 -0.9461 1223136 ChemDiv3_001262 OC(=O)CCC(=O)Nc1cccc(c1)c2nc3ccccc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J09 compound treatment 0.996 -0.0341 -0.99 1.006 -0.0242 -0.72 -1.2045 -0.9875 1160808 ChemDiv3_001263 CC(=O)Oc1ccccc1C(=O)N2CCCc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J10 compound treatment 1.071 0.0409 1.18 1.038 0.00779 0.23 1.0004 0.8291 1127019 ChemDiv3_001264 N=c1n(CC(=O)c2ccco2)c3ccccc3n1Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J11 compound treatment 0.986 -0.0441 -1.28 1.002 -0.0282 -0.83 -1.4929 -0.9787 3020678 ChemDiv3_001265 O=C(CSc1nc2ccccc2s1)OCN3C(=O)c4ccccc4C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J12 compound treatment 1.015 -0.0151 -0.44 1.014 -0.0162 -0.48 -0.6481 -0.999 3119060 ChemDiv3_001266 C1C(=CC(=NN=C1c2cccs2)c3cccs3)c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J13 compound treatment 1.076 0.0459 1.33 1.08 0.0498 1.47 1.9809 0.9987 1124209 ChemDiv3_001267 O=C(CCN1C(=O)c2ccccc2C1=O)Oc3ccc4c5CCCc5c(=O)oc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J14 compound treatment 1.004 -0.0261 -0.76 1.003 -0.0272 -0.8 -1.1034 -0.9995 3020681 ChemDiv3_001268 CCNc1nc(NCC)nc(OCCOC(=O)C)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J15 compound treatment 1.01 -0.0201 -0.58 1.008 -0.0222 -0.66 -0.876 -0.9982 1222243 ChemDiv3_001269 COc1ccc(cc1OC)C2=CC(c3ccccc3)c4ccccc4O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J16 compound treatment 1.008 -0.0221 -0.64 1.006 -0.0242 -0.72 -0.9587 -0.9985 1443019 ChemDiv3_001270 O=C(Nc1ccc(cc1)N2CCCCC2)c3ccncc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J17 compound treatment 0.99 -0.0401 -1.16 1.017 -0.0132 -0.39 -1.0974 -0.8956 1518842 ChemDiv3_001271 CCOC(=O)c1cc2c3c4CCCCc4oc3cc(I)c2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J18 compound treatment 1.025 -0.0051 -0.15 1.023 -0.00721 -0.21 -0.2552 -0.984 3020684 ChemDiv3_001272 FC(F)(F)c1ccccc1NC(=O)C2c3ccccc3Oc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J19 compound treatment 1.042 0.0119 0.34 1.039 0.00879 0.26 0.4275 0.9904 3119061 ChemDiv3_001273 Fc1ccc(/N=C/2\SC(CC(=O)N2CCc3ccccc3)C(=O)NCCc4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J20 compound treatment 1.042 0.0119 0.34 1.038 0.00779 0.23 0.4065 0.9809 1484388 ChemDiv3_001274 Cc1cccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N3CCCC3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J21 compound treatment 1.0 -0.0301 -0.87 1.013 -0.0172 -0.51 -0.9762 -0.9671 3020364 ChemDiv3_001275 CN(C)c1ccc(/C=C(\C#N)/C(=C(C#N)C#N)N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J22 compound treatment 1.017 -0.0131 -0.38 0.999 -0.0312 -0.92 -0.9208 -0.9229 1381241 ChemDiv3_001276 Nc1ccccc1Nc2c(N)c(=O)oc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J23 mock treatment 1.059 0.0289 0.84 1.04 0.00979 0.29 0.7965 0.8994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 J24 mock treatment 1.004 -0.0261 -0.76 1.017 -0.0132 -0.39 -0.8107 -0.9528 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K01 compound treatment 1.037 0.0069 0.2 1.016 -0.0142 -0.42 -0.1558 -0.3349 3020366 ChemDiv3_001277 Oc1ccccc1N2C(=O)/C(=C/c3ccc(Br)cc3)/C=C2c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K02 compound treatment 1.005 -0.0251 -0.73 1.02 -0.0102 -0.3 -0.7275 -0.9242 3119062 ChemDiv3_001278 CCOC(=O)c1cnn(c1N)c2nc(C)cc(C)n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K03 compound treatment 1.03 -1.03E-4 0.0 1.014 -0.0162 -0.48 -0.3409 -0.7115 1164643 ChemDiv3_001279 Cc1nn(c(C)c1Sc2n[nH]c(=O)[nH]c2=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K04 compound treatment 1.015 -0.0151 -0.44 1.014 -0.0162 -0.48 -0.6481 -0.999 3119063 ChemDiv3_001280 Cc1ccc2nc(Nc3ccccc3)nc(c4ccccc4)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K05 compound treatment 1.029 -0.0011 -0.03 1.031 7.93E-4 0.02 -0.006 -0.1518 1371214 ChemDiv3_001281 CCOC(=O)c1cnn(c1NC(=O)c2ccccc2F)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K06 compound treatment 1.015 -0.0151 -0.44 1.024 -0.00621 -0.18 -0.4391 -0.9256 3020371 ChemDiv3_001282 COC(=O)C(C)Sc1nnc(o1)c2ccc(Br)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K07 compound treatment 1.04 0.0099 0.29 1.019 -0.0112 -0.33 -0.0316 -0.0722 3119064 ChemDiv3_001283 Cc1nc(cs1)c2c(oc3cc(O)ccc3c2=O)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K08 compound treatment 1.067 0.0369 1.07 1.06 0.0298 0.88 1.3784 0.9954 3020374 ChemDiv3_001284 Brc1ccc(cc1)n2c(nc(=S)c3CCCCc32)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K09 compound treatment 1.025 -0.0051 -0.15 1.017 -0.0132 -0.39 -0.3806 -0.9116 3119065 ChemDiv3_001285 CSc1nnc(c(=O)n1/N=C/c2c(O)ccc3ccccc23)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K10 compound treatment 1.053 0.0229 0.66 1.036 0.00579 0.17 0.59 0.8615 3020376 ChemDiv3_001286 CCN(CC)C(=O)[n+]1ccc(OC)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K11 compound treatment 1.025 -0.0051 -0.15 1.01 -0.0202 -0.6 -0.527 -0.8562 1516068 ChemDiv3_001287 CCCOC(=O)C1=C(C)N(CC)C(=O)NC1c2ccccc2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K12 compound treatment 1.069 0.0389 1.13 1.064 0.0338 1.0 1.503 0.9982 3119198 ChemDiv3_001288 CCOC(=O)c1ccc(cc1)n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K13 compound treatment 1.009 -0.0211 -0.61 1.018 -0.0122 -0.36 -0.6874 -0.9684 3119199 ChemDiv3_001289 Cc1ccc(/C=N/c2ccc(Br)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K14 compound treatment 0.992 -0.0381 -1.1 0.991 -0.0392 -1.16 -1.6 -0.9997 3020408 ChemDiv3_001290 COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)/c(=O)n2C1c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K15 compound treatment 1.006 -0.0241 -0.7 1.024 -0.00621 -0.18 -0.6234 -0.8637 1548396 ChemDiv3_001291 CC(C)(C)C(O)Cn1c(=N)n(CCN2CCCCC2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K16 compound treatment 1.019 -0.0111 -0.32 1.0 -0.0302 -0.89 -0.8589 -0.9048 3020412 ChemDiv3_001292 CC1=NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K17 compound treatment 1.0 -0.0301 -0.87 1.004 -0.0262 -0.77 -1.1644 -0.9983 3119200 ChemDiv3_001293 Brc1cccc(c1)C2CC(=O)c3c(N2)ccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K18 compound treatment 1.022 -0.0081 -0.23 1.038 0.00779 0.23 -0.003 -0.0092 1559376 ChemDiv3_001294 CCCCN1CCc2c([nH]c3c(C)cccc23)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K19 compound treatment 1.033 0.0029 0.08 1.029 -0.00121 -0.04 0.0341 0.3739 3119201 ChemDiv3_001295 CCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c3ccc(OC)cc3)/c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K20 compound treatment 1.01 -0.0201 -0.58 1.018 -0.0122 -0.36 -0.6669 -0.9736 1381466 ChemDiv3_001296 COc1ccc(cc1)n2c(nc3cc4OCOc4cc23)c5ccc(Br)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K21 compound treatment 1.021 -0.0091 -0.26 1.007 -0.0232 -0.69 -0.6716 -0.9137 1048818 ChemDiv3_001297 O=C(Oc1ccccc1)C(c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K22 compound treatment 1.022 -0.0081 -0.23 1.023 -0.00721 -0.21 -0.3166 -0.9988 1302006 ChemDiv3_001298 CCc1nc(C)cn1S(=O)(=O)c2cc(OC)ccc2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K23 mock treatment 1.012 -0.0181 -0.52 0.999 -0.0312 -0.92 -1.0232 -0.9641 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 K24 mock treatment 1.013 -0.0171 -0.5 1.012 -0.0182 -0.54 -0.7309 -0.9991 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L01 compound treatment 0.998 -0.0321 -0.93 1.017 -0.0132 -0.39 -0.9335 -0.9258 3119202 ChemDiv3_001299 CN1/C(=C(\C#N)/C(=O)c2ccccc2NS(=O)(=O)c3ccc(C)cc3)/Nc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L02 compound treatment 1.013 -0.0171 -0.5 1.005 -0.0252 -0.75 -0.8772 -0.9803 1913204 ChemDiv3_001300 OC(=O)/C=C/c1ccc(o1)c2ccc(Br)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L03 compound treatment 1.054 0.0239 0.69 1.069 0.0388 1.15 1.3004 0.9707 1267306 ChemDiv3_001301 Clc1ccc(OCC(=O)NCc2n[nH]c(=S)n2c3cccc(Cl)c3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L04 compound treatment 1.012 -0.0181 -0.52 1.002 -0.0282 -0.83 -0.9604 -0.975 1204085 ChemDiv3_001302 O=C1CC(CC(=C1)NC2CCCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L05 compound treatment 1.09 0.0599 1.73 1.07 0.0398 1.18 2.0585 0.9821 3119203 ChemDiv3_001303 Fc1ccccc1N/C=C(\C#N)/c2nc(cs2)c3cc4ccccc4oc3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L06 compound treatment 1.023 -0.0071 -0.21 1.002 -0.0282 -0.83 -0.7352 -0.8559 3119204 ChemDiv3_001304 O=C/1N\C(=N\S(=O)(=O)c2ccccc2)\S\C1=C/3\C(=O)Nc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L07 compound treatment 1.014 -0.0161 -0.47 1.017 -0.0132 -0.39 -0.6059 -0.9961 3020464 ChemDiv3_001305 CC1(C)CC(=O)C(=CNCc2ccc(F)cc2)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L08 compound treatment 1.034 0.0039 0.11 1.017 -0.0132 -0.39 -0.1963 -0.483 1301856 ChemDiv3_001306 OC(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L09 compound treatment 1.004 -0.0261 -0.76 1.007 -0.0232 -0.69 -1.0197 -0.9988 1358651 ChemDiv3_001307 OC1(N(CCc2ccccc2)C(=O)c3ccccc31)c4ncc[nH]4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L10 compound treatment 1.006 -0.0241 -0.7 1.029 -0.00121 -0.04 -0.5188 -0.7423 3119205 ChemDiv3_001308 O=C(CN1C2=NCCCN2c3ccccc13)c4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L11 compound treatment 1.006 -0.0241 -0.7 1.004 -0.0262 -0.77 -1.0415 -0.9986 1633574 ChemDiv3_001309 CC1=C(C)CC(C(C1)C(=O)O)C(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L12 compound treatment 1.004 -0.0261 -0.76 1.018 -0.0122 -0.36 -0.7898 -0.9428 1136469 ChemDiv3_001310 Sc1nc2sc3CCCc3c2c(=O)n1Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L13 compound treatment 1.055 0.0249 0.72 1.068 0.0378 1.12 1.3 0.9775 1155907 ChemDiv3_001311 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc3ccc4c5CCCc5c(=O)oc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L14 compound treatment 1.02 -0.0101 -0.29 0.99 -0.0402 -1.19 -1.0475 -0.8556 1677666 ChemDiv3_001312 CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L15 compound treatment 1.011 -0.0191 -0.55 1.027 -0.00321 -0.09 -0.4583 -0.8164 3119206 ChemDiv3_001313 COc1cc2cc(C)nc(Cc3cccc4ccccc34)c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L16 compound treatment 1.079 0.0489 1.42 1.135 0.105 3.1 3.1922 0.9371 3020469 ChemDiv3_001314 CCCOC(=O)Nc1cccc(c1)C(=O)OCCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L17 compound treatment 1.027 -0.0031 -0.09 1.043 0.0128 0.38 0.2039 0.5245 3119207 ChemDiv3_001315 Cc1ccc(cc1)c2csc(NC(=O)/C=C/c3ccco3)c2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L18 compound treatment 1.009 -0.0211 -0.61 1.014 -0.0162 -0.48 -0.771 -0.9928 1128259 ChemDiv3_001316 CCOc1ccc(NC(=O)C2c3ccccc3Oc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L19 compound treatment 1.06 0.0299 0.87 1.077 0.0468 1.38 1.5905 0.9745 3119208 ChemDiv3_001317 CN/1C(=O)CC(S\C1=N\c2ccc(I)cc2)C(=O)NCCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L20 compound treatment 1.011 -0.0191 -0.55 1.014 -0.0162 -0.48 -0.73 -0.9974 1229602 ChemDiv3_001318 Cc1ccc(cc1C(=O)Oc2cccc3cccnc23)S(=O)(=O)N4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L21 compound treatment 1.007 -0.0231 -0.67 1.018 -0.0122 -0.36 -0.7283 -0.958 1681096 ChemDiv3_001319 COc1cccc(C(O)c2nccn2C)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L22 compound treatment 1.085 0.0549 1.59 1.072 0.0418 1.24 1.9979 0.9922 1212845 ChemDiv3_001320 CCn1c(C)nc2c(=O)oc3ccccc3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L23 mock treatment 1.026 -0.0041 -0.12 1.022 -0.00821 -0.24 -0.2556 -0.9461 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 L24 mock treatment 1.033 0.0029 0.08 1.037 0.00679 0.2 0.2013 0.925 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M01 compound treatment 1.012 -0.0181 -0.52 1.005 -0.0252 -0.75 -0.8977 -0.9852 3119209 ChemDiv3_001321 O=C/1N(C2CCCCC2)C(=S)S\C1=C/c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M02 compound treatment 1.006 -0.0241 -0.7 0.997 -0.0332 -0.98 -1.1878 -0.986 3119210 ChemDiv3_001322 COC(=O)CN1C(c2ccccc2)c3cc(C)ccc3N=C1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M03 compound treatment 0.989 -0.0411 -1.19 0.996 -0.0342 -1.01 -1.5569 -0.9967 3020541 ChemDiv3_001323 Clc1ccc(/C=C/2\SC(=O)N(Cc3ccccc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M04 compound treatment 1.004 -0.0261 -0.76 0.992 -0.0382 -1.13 -1.3333 -0.9809 3119211 ChemDiv3_001324 NNc1nc(c2ccccc2)c3cc(Cl)ccc3n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M05 compound treatment 0.974 -0.0561 -1.62 0.988 -0.0422 -1.25 -2.0313 -0.9915 3020543 ChemDiv3_001325 CC1=Nc2ccc(Br)cc2C(N1CC(=O)NN)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M06 compound treatment 1.0 -0.0301 -0.87 1.001 -0.0292 -0.86 -1.2271 -1.0 1584812 ChemDiv3_001326 CC(C(Cc1cc(C)cc(C)c1)C(=O)O)C(=O)NCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M07 compound treatment 1.015 -0.0151 -0.44 1.008 -0.0222 -0.66 -0.7736 -0.9805 1680758 ChemDiv3_001327 CCOC(=O)C(C)Oc1ccc2c(=O)c(coc2c1)c3csc(C)n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M08 compound treatment 1.133 0.103 2.98 1.096 0.0658 1.95 3.4827 0.9786 3020614 ChemDiv3_001328 Cn1/c(=N/C(=O)c2ccc(F)cc2)/sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M09 compound treatment 1.015 -0.0151 -0.44 1.002 -0.0282 -0.83 -0.899 -0.9546 1701030 ChemDiv3_001329 C1OC(OCC12COC(OC2)c3cccnc3)c4cccnc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M10 compound treatment 0.94 -0.0901 -2.61 0.931 -0.0992 -2.93 -3.9192 -0.9983 1243322 ChemDiv3_001330 COC(=O)c1cc(ccc1Cl)N2C(=O)C3C4OC(C)(C=C4)C3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M11 compound treatment 1.016 -0.0141 -0.41 0.984 -0.0462 -1.37 -1.2548 -0.88 3119212 ChemDiv3_001331 CC(=O)N/C(=C\c1ccccc1)/C(=O)Nc2cccc(C#N)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M12 compound treatment 1.041 0.0109 0.32 1.074 0.0438 1.29 1.1387 0.8544 1297939 ChemDiv3_001332 OC(=O)c1cc(NC(=O)Cc2cccs2)cc(c1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M13 compound treatment 1.002 -0.0281 -0.81 0.995 -0.0352 -1.04 -1.3116 -0.9926 1112646 ChemDiv3_001333 Clc1ccc(cc1)C(=O)Nc2cccc(Cl)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M14 compound treatment 0.981 -0.0491 -1.42 1.006 -0.0242 -0.72 -1.5116 -0.9495 1527595 ChemDiv3_001334 O=C1CSC(N1C2CCCCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M15 compound treatment 0.987 -0.0431 -1.25 0.989 -0.0412 -1.22 -1.7442 -0.9999 1359293 ChemDiv3_001335 CCCn1c(=N)n(CC(O)c2ccccc2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M16 compound treatment 1.091 0.0609 1.76 1.124 0.0938 2.77 3.2079 0.9761 1703127 ChemDiv3_001336 Cc1nn(C(CC(=O)O)C(=O)O)c(C)c1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M17 compound treatment 1.012 -0.0181 -0.52 1.006 -0.0242 -0.72 -0.8768 -0.9883 3119213 ChemDiv3_001337 Cc1ccccc1C2CC(=O)c3c(N2)ccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M18 compound treatment 0.991 -0.0391 -1.13 0.995 -0.0352 -1.04 -1.5368 -0.9991 3020623 ChemDiv3_001338 CCCCN1C(=O)/C(=C\2/Sc3ccc(OC)cc3N2C)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M19 compound treatment 0.989 -0.0411 -1.19 1.001 -0.0292 -0.86 -1.4523 -0.9876 1127450 ChemDiv3_001339 COC(=O)c1c(NC(=O)c2c(C)onc2c3ccccc3Cl)sc4CCCCc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M20 compound treatment 1.002 -0.0281 -0.81 1.001 -0.0292 -0.86 -1.1861 -0.9996 1635195 ChemDiv3_001340 COc1ccc(NC(=O)Nc2c(SC)nsc2SC)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M21 compound treatment 1.02 -0.0101 -0.29 0.993 -0.0372 -1.1 -0.9848 -0.8651 3119214 ChemDiv3_001341 Nc1ccc(cc1)C(=O)OCCCc2nc3cc4ccccc4cc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M22 compound treatment 1.016 -0.0141 -0.41 1.018 -0.0122 -0.36 -0.544 -0.9981 1632781 ChemDiv3_001342 Cc1ccc(c(C)c1)S(=O)(=O)N2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M23 mock treatment 1.012 -0.0181 -0.52 0.996 -0.0342 -1.01 -1.0859 -0.9532 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 M24 mock treatment 1.068 0.0379 1.1 1.083 0.0528 1.56 1.8798 0.9851 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N01 compound treatment 0.993 -0.0371 -1.07 1.007 -0.0232 -0.69 -1.245 -0.9765 1638529 ChemDiv3_001343 COC(=O)C1=C(CCS1)NC(=O)c2ccccc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N02 compound treatment 0.986 -0.0441 -1.28 0.99 -0.0402 -1.19 -1.7437 -0.9994 1175429 ChemDiv3_001344 Cc1c(oc2ccccc12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N03 compound treatment 0.981 -0.0491 -1.42 1.003 -0.0272 -0.8 -1.5744 -0.9636 3119343 ChemDiv3_001345 CCOc1cccc(c1)S(=O)(=O)N=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N04 compound treatment 1.12 0.0899 2.6 1.089 0.0588 1.74 3.0701 0.9807 3020687 ChemDiv3_001346 N/C(=N\O)/CSc1nc2ccccc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N05 compound treatment 1.012 -0.0181 -0.52 1.02 -0.0102 -0.3 -0.5841 -0.9656 1691239 ChemDiv3_001347 CCOC(=O)C1CCCN(Cc2ccccc2)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N06 compound treatment 1.009 -0.0211 -0.61 1.0 -0.0302 -0.89 -1.0637 -0.9829 1225871 ChemDiv3_001348 COc1ccc(OCC(=O)N2CCN(CC2)S(=O)(=O)c3ccc(OC)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N07 compound treatment 1.161 0.131 3.79 1.161 0.131 3.87 5.415 1.0 3119344 ChemDiv3_001349 CCOC(=O)c1sc2nc[nH]c(=O)c2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N08 compound treatment 1.009 -0.0211 -0.61 1.006 -0.0242 -0.72 -0.9382 -0.9969 1528087 ChemDiv3_001350 Cc1cc(C)nc(Nc2ncc(O)n2c3ccc(Cl)c(Cl)c3)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N09 compound treatment 0.998 -0.0321 -0.93 1.005 -0.0252 -0.75 -1.1844 -0.994 1141041 ChemDiv3_001351 OC(=O)CCP(=O)(O)CN1CCCCCC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N10 compound treatment 1.024 -0.0061 -0.18 1.009 -0.0212 -0.63 -0.5684 -0.8724 1699621 ChemDiv3_001352 Clc1ccc(cc1Cl)C(=O)Cn2c(=N)n(Cc3ccccc3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N11 compound treatment 1.001 -0.0291 -0.84 1.002 -0.0282 -0.83 -1.1857 -1.0 3020690 ChemDiv3_001353 CCC1C(=O)NC(=NC1=O)SCC(=O)Nc2ccc(Br)cn2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N12 compound treatment 0.987 -0.0431 -1.25 0.986 -0.0442 -1.31 -1.8069 -0.9997 1287141 ChemDiv3_001354 CC(=O)Nc1ccc(cc1)C(=O)CSc2nc(C)cc(O)n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N13 compound treatment 1.002 -0.0281 -0.81 1.008 -0.0222 -0.66 -1.0398 -0.9943 1716124 ChemDiv3_001355 Cc1cc(OC(=O)C2COc3ccccc3O2)cc(C)c1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N14 compound treatment 1.017 -0.0131 -0.38 1.022 -0.00821 -0.24 -0.4399 -0.9767 3119345 ChemDiv3_001356 CCN1OCN(C1=N)c2nc(nc(n2)N(C)C)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N15 compound treatment 1.018 -0.0121 -0.35 1.021 -0.00921 -0.27 -0.4403 -0.9922 3119346 ChemDiv3_001357 COc1ccc(cc1)c2cc3cc(OC)c(OC)cc3c(Cc4ccccc4)n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N16 compound treatment 1.01 -0.0201 -0.58 1.007 -0.0232 -0.69 -0.8969 -0.9967 1442772 ChemDiv3_001358 CCOC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N17 compound treatment 1.006 -0.0241 -0.7 1.036 0.00579 0.17 -0.3725 -0.5182 3119347 ChemDiv3_001359 Cc1cc(C)c2cccc(NC(=S)NC(=O)/C=C/c3ccccc3)c2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N18 compound treatment 0.99 -0.0401 -1.16 0.997 -0.0332 -0.98 -1.5155 -0.9965 1476763 ChemDiv3_001360 CC1CC(C)CN(C1)C(=O)C2c3ccccc3Oc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N19 compound treatment 1.015 -0.0151 -0.44 1.032 0.00179 0.05 -0.2718 -0.6169 1211865 ChemDiv3_001361 COc1ccc(cc1)N2C(=O)CC(SCC(=O)O)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N20 compound treatment 0.988 -0.0421 -1.22 1.016 -0.0142 -0.42 -1.1592 -0.8989 1518987 ChemDiv3_001362 O=C(N1CCCc2ccccc12)c3cccc(c3)S(=O)(=O)NC4CCCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N21 compound treatment 0.993 -0.0371 -1.07 1.013 -0.0172 -0.51 -1.1196 -0.9417 1331290 ChemDiv3_001363 CC1=C(C(NC(=O)N1)c2ccccc2)C(=O)Nc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N22 compound treatment 1.031 8.97E-4 0.03 1.025 -0.00521 -0.15 -0.0905 -0.5797 1486835 ChemDiv3_001364 Cc1nc2c(=O)oc3ccccc3c2n1c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N23 mock treatment 0.974 -0.0561 -1.62 0.991 -0.0392 -1.16 -1.9686 -0.9863 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 N24 mock treatment 1.002 -0.0281 -0.81 1.002 -0.0282 -0.83 -1.1652 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O01 compound treatment 1.008 -0.0221 -0.64 1.022 -0.00821 -0.24 -0.6242 -0.9118 1423808 ChemDiv3_001365 CCOc1ccc(cc1Br)C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O02 compound treatment 1.007 -0.0231 -0.67 1.033 0.00279 0.08 -0.4147 -0.6152 3119348 ChemDiv3_001366 CCN1C(=O)c2cccc3c(NC(=S)NC(=O)c4ccccc4)ccc1c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O03 compound treatment 1.014 -0.0161 -0.47 1.017 -0.0132 -0.39 -0.6059 -0.9961 3020430 ChemDiv3_001367 Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)/SC2=S)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O04 compound treatment 1.029 -0.0011 -0.03 1.027 -0.00321 -0.09 -0.0896 -0.8959 1324540 ChemDiv3_001368 CCOc1ccc(NC(=O)NC2(CC3CC4CC(C3)C2)C4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O05 compound treatment 1.013 -0.0171 -0.5 1.016 -0.0142 -0.42 -0.6473 -0.9966 1278554 ChemDiv3_001369 Clc1cccc(c1)C(=O)NCC(=O)Nc2ccc(Br)cc2C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O06 compound treatment 1.021 -0.0091 -0.26 1.024 -0.00621 -0.18 -0.3162 -0.9843 1711492 ChemDiv3_001370 CN1N=C(C(NC(=O)C)C1=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O07 compound treatment 1.013 -0.0171 -0.5 1.022 -0.00821 -0.24 -0.5218 -0.9461 1278126 ChemDiv3_001371 CC(C)Oc1ccc2c(=O)c(c(C)oc2c1)c3ccc4OCCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O08 compound treatment 1.033 0.0029 0.08 1.053 0.0228 0.67 0.5358 0.789 3021156 ChemDiv3_001372 N(=c/1\scc(c2cccs2)n1c3ccccc3)\c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O09 compound treatment 0.98 -0.0501 -1.45 0.992 -0.0382 -1.13 -1.8248 -0.9923 3021157 ChemDiv3_001373 FC(F)(F)c1ccccc1/C=C/2\N=C(OC2=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O10 compound treatment 1.012 -0.0181 -0.52 1.02 -0.0102 -0.3 -0.5841 -0.9656 3021158 ChemDiv3_001374 COc1ccccc1NC(=O)/C=C\c2ccco2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O11 compound treatment 1.008 -0.0221 -0.64 1.03 -2.07E-4 -0.01 -0.457 -0.7138 3119349 ChemDiv3_001375 CCCCn1c(Cc2ccccc2)nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O12 compound treatment 1.085 0.0549 1.59 1.082 0.0518 1.53 2.207 0.9998 1533954 ChemDiv3_001376 OC(=O)c1cc(NC(=O)c2cccs2)cc(c1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O13 compound treatment 1.102 0.0719 2.08 1.1 0.0698 2.06 2.9314 1.0 1377349 ChemDiv3_001377 Brc1ccc2oc(=O)c(cc2c1)C(=O)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O14 compound treatment 1.035 0.0049 0.14 1.035 0.00479 0.14 0.2005 1.0 3119350 ChemDiv3_001378 CCOC(=O)CC/1=NN(C(=O)\C1=C/c2cc(OC)c(OC)cc2OC)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O15 compound treatment 1.01 -0.0201 -0.58 1.006 -0.0242 -0.72 -0.9178 -0.9948 3021159 ChemDiv3_001379 CCn1c(/C=N/c2ccccc2)nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O16 compound treatment 1.058 0.0279 0.81 1.06 0.0298 0.88 1.1941 0.9991 1912932 ChemDiv3_001380 CCOC(=O)C1CNN=C1C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O17 compound treatment 1.029 -0.0011 -0.03 1.039 0.00879 0.26 0.1612 0.6156 1144944 ChemDiv3_001381 CCOC(=O)c1ccc2nc(ccc2c1)C3(CC4CC5CC(C4)C3)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O18 compound treatment 1.007 -0.0231 -0.67 1.018 -0.0122 -0.36 -0.7283 -0.958 3021160 ChemDiv3_001382 CCN1/C(=C\C(=S)CC)/Sc2ccc(Cl)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O19 compound treatment 1.011 -0.0191 -0.55 1.021 -0.00921 -0.27 -0.5837 -0.9466 1434944 ChemDiv3_001383 Brc1ccc(OCC(=O)NCC2CCCO2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O20 compound treatment 1.016 -0.0141 -0.41 1.042 0.0118 0.35 -0.0423 -0.0787 1002861 ChemDiv3_001384 CC(Oc1ccccc1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O21 compound treatment 1.01 -0.0201 -0.58 1.036 0.00579 0.17 -0.2906 -0.4788 3119351 ChemDiv3_001385 O=C(Nc1cc2c(ccc3ccccc32)oc1=O)/C=C/c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O22 compound treatment 1.094 0.0639 1.85 1.11 0.0798 2.36 2.9767 0.9928 3021161 ChemDiv3_001386 CCOC(=O)/C=C(\C)/Nc1ccc(Cl)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O23 mock treatment 1.01 -0.0201 -0.58 1.018 -0.0122 -0.36 -0.6669 -0.9736 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 O24 mock treatment 1.159 0.129 3.73 1.162 0.132 3.9 5.3949 0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P01 compound treatment 1.008 -0.0221 -0.64 1.013 -0.0172 -0.51 -0.8124 -0.9935 1607061 ChemDiv3_001387 COC(=O)C1=C(CCS1)NC(=O)c2cccc(Cl)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P02 compound treatment 1.028 -0.0021 -0.06 1.026 -0.00421 -0.12 -0.131 -0.9461 3021162 ChemDiv3_001388 CN1CNC(=NS(=O)(=O)c2ccc(NC(=O)C)cc2)NC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P03 compound treatment 1.011 -0.0191 -0.55 1.018 -0.0122 -0.36 -0.6464 -0.9786 1145842 ChemDiv3_001389 CCCCn1c(Br)nc2n(C)c(=O)[nH]c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P04 compound treatment 1.044 0.0139 0.4 1.026 -0.00421 -0.12 0.1966 0.4668 1326168 ChemDiv3_001390 CCOC(=O)c1[nH]c(C(=O)O)c(CC)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P05 compound treatment 0.977 -0.0531 -1.54 1.008 -0.0222 -0.66 -1.5517 -0.928 3119352 ChemDiv3_001391 CC1=CC(=O)C=C(C)C1=NS(=O)(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P06 compound treatment 1.02 -0.0101 -0.29 1.021 -0.00921 -0.27 -0.3994 -0.9993 1659137 ChemDiv3_001392 CC(C)CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P07 compound treatment 1.067 0.0369 1.07 1.069 0.0388 1.15 1.5666 0.9994 1602384 ChemDiv3_001393 COc1cccc(c1)C(=O)NCCN2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P08 compound treatment 1.008 -0.0221 -0.64 1.019 -0.0112 -0.33 -0.6869 -0.953 3119353 ChemDiv3_001394 CC1CCc2sc(NC(=O)C(Cc3ccccc3)Cc4ccccc4)c(C#N)c2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P09 compound treatment 1.015 -0.0151 -0.44 1.011 -0.0192 -0.57 -0.7108 -0.9917 3021163 ChemDiv3_001395 CCOC(=O)c1c(oc2ccc(O)c(CSCC(=O)Nc3ccccc3)c12)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P10 compound treatment 1.08 0.0499 1.45 1.105 0.0748 2.21 2.5855 0.9787 3119354 ChemDiv3_001396 Cc1cccc(c1)C(=O)Sc2cccccc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P11 compound treatment 1.021 -0.0091 -0.26 1.021 -0.00921 -0.27 -0.3789 -0.9999 1345562 ChemDiv3_001397 Cc1ccc(o1)c2c(C#N)c(SCC=C)nc3CCCCc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P12 compound treatment 1.012 -0.0181 -0.52 1.019 -0.0112 -0.33 -0.605 -0.9755 1469960 ChemDiv3_001398 CN1CCN(CCCN2C(SCC2=O)c3ccc(F)cc3)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P13 compound treatment 1.043 0.0129 0.37 1.035 0.00479 0.14 0.3643 0.912 1737932 ChemDiv3_001399 COC(=O)COc1ccc2c(=O)c(coc2c1)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P14 compound treatment 1.071 0.0409 1.18 1.071 0.0408 1.21 1.6903 1.0 1405560 ChemDiv3_001400 Cc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P15 compound treatment 1.021 -0.0091 -0.26 1.02 -0.0102 -0.3 -0.3998 -0.9977 1711766 ChemDiv3_001401 CCc1nc(cc2cc(OC)c(OC)cc12)c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P16 compound treatment 1.02 -0.0101 -0.29 0.99 -0.0402 -1.19 -1.0475 -0.8556 3021164 ChemDiv3_001402 Cc1ccc(cc1C)S(=O)(=O)N2CCCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P17 compound treatment 1.027 -0.0031 -0.09 1.029 -0.00121 -0.04 -0.0888 -0.9181 1435290 ChemDiv3_001403 CC1(C)Cc2c(sc3ncn4nc(nc4c23)c5ccccc5)C(C)(C)N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P18 compound treatment 1.006 -0.0241 -0.7 1.029 -0.00121 -0.04 -0.5188 -0.7423 1603940 ChemDiv3_001404 COc1ccccc1NC(=O)C2c3ccccc3Oc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P19 compound treatment 1.012 -0.0181 -0.52 1.013 -0.0172 -0.51 -0.7305 -0.9999 3119355 ChemDiv3_001405 CC(C)Oc1ccc(cc1)C2CC(=O)NNC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P20 compound treatment 1.038 0.0079 0.23 1.027 -0.00321 -0.09 0.0947 0.3824 1788078 ChemDiv3_001406 Cc1ccc(cc1S(=O)(=O)N2CCCC2)S(=O)(=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P21 compound treatment 1.152 0.122 3.53 1.179 0.149 4.4 5.607 0.994 3021165 ChemDiv3_001407 O=C(NN1C(=O)/C(=C\c2cccnc2)/SC1=S)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P22 compound treatment 0.999 -0.0311 -0.9 1.017 -0.0132 -0.39 -0.9131 -0.93 1314274 ChemDiv3_001408 COc1ccc(cc1)n2nc3ccc(NC(=O)c4ccc(cc4)c5ccccc5)cc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P23 mock treatment 1.037 0.0069 0.2 1.027 -0.00321 -0.09 0.0742 0.3355 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2004 P24 mock treatment 1.034 0.0039 0.11 1.013 -0.0172 -0.51 -0.2799 -0.5372 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A01 compound treatment 1.024 -0.00229 -0.07 1.017 -0.0108 -0.32 -0.2732 -0.8356 1172919 ChemDiv3_001409 COc1ccc(cc1OC)C(=O)Nc2ccc(cc2)c3nc4cc(C)cc(C)c4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A02 compound treatment 0.991 -0.0353 -1.02 0.986 -0.0418 -1.24 -1.5971 -0.9955 1360520 ChemDiv3_001410 CC(C)C1C(NC(CC1=O)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A03 compound treatment 1.002 -0.0243 -0.7 1.0 -0.0278 -0.82 -1.0791 -0.997 1912544 ChemDiv3_001411 OC(=O)CSCCc1ccncc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A04 compound treatment 1.145 0.119 3.44 1.105 0.0772 2.28 4.0445 0.9802 1141661 ChemDiv3_001412 Clc1cccc2n(c3ccc(Br)cc3)c4nc(=O)[nH]c(=O)c4cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A05 compound treatment 1.006 -0.0203 -0.59 0.994 -0.0338 -1.0 -1.1226 -0.9678 3021166 ChemDiv3_001413 CC1(C)CC(=O)C(=CNCCN2CCOCC2)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A06 compound treatment 0.994 -0.0323 -0.94 0.987 -0.0408 -1.21 -1.5147 -0.992 3119497 ChemDiv3_001414 CC(O)c1cccc(NC(=O)c2cnn3C(CC(Nc23)c4cccs4)C(F)(F)F)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A07 compound treatment 0.996 -0.0303 -0.88 0.988 -0.0398 -1.18 -1.4529 -0.9895 1556247 ChemDiv3_001415 COc1cccc(c1)C(=O)Nc2ccc(cc2)c3cn4ccccc4n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A08 compound treatment 1.003 -0.0233 -0.67 1.003 -0.0248 -0.73 -0.9959 -0.9991 1464561 ChemDiv3_001416 CC(=O)Nc1cc2ccc(OC(=O)C)cc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A09 compound treatment 1.076 0.0497 1.44 1.054 0.0262 0.77 1.5652 0.9576 3021167 ChemDiv3_001417 Cc1cc(c(C#N)c(=S)[nH]1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A10 compound treatment 1.001 -0.0253 -0.73 0.995 -0.0328 -0.97 -1.2041 -0.9904 1216127 ChemDiv3_001418 CC(=O)N(Cc1ccccc1)C2CCCc3c2[nH]c4ccc(C)cc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A11 compound treatment 1.013 -0.0133 -0.38 1.002 -0.0258 -0.76 -0.812 -0.9497 1428104 ChemDiv3_001419 O=C(Nn1cnc2ccccc2c1=O)C3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A12 compound treatment 1.002 -0.0243 -0.7 0.994 -0.0338 -1.0 -1.2045 -0.9852 3119498 ChemDiv3_001420 CCOc1cc(/C=C\2/SC(=O)NC2=O)ccc1OCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A13 compound treatment 1.001 -0.0253 -0.73 0.991 -0.0368 -1.09 -1.2877 -0.9814 3021168 ChemDiv3_001421 O=C1CC(CC(=O)C1=CNCc2ccco2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A14 compound treatment 0.981 -0.0453 -1.31 0.986 -0.0418 -1.24 -1.8018 -0.9996 3119499 ChemDiv3_001422 CC(C)c1ccc(/C=C\2/N(C(=O)C)C(=S)NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A15 compound treatment 1.088 0.0617 1.79 1.073 0.0452 1.34 2.2082 0.9897 1202793 ChemDiv3_001423 Cn1c(NC(=O)c2ccccc2NC(=O)c3ccccc3)nc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A16 compound treatment 0.953 -0.0733 -2.12 0.953 -0.0748 -2.21 -3.0652 -0.9998 1785399 ChemDiv3_001424 CCC(Nc1n[nH]c(=O)[nH]c1=O)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A17 compound treatment 1.008 -0.0183 -0.53 1.003 -0.0248 -0.73 -0.8935 -0.9872 1694993 ChemDiv3_001425 Clc1c(cnn(c2ccccc2)c1=O)N3CCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A18 compound treatment 0.993 -0.0333 -0.96 0.99 -0.0378 -1.12 -1.4725 -0.9973 3119500 ChemDiv3_001426 O=C1/C(=C\NCc2ccccc2)/Sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A19 compound treatment 1.009 -0.0173 -0.5 1.009 -0.0188 -0.56 -0.7476 -0.9986 1385512 ChemDiv3_001427 O=C(Nc1ccc2nn(nc2c1)c3ccccc3)C(c4ccccc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A20 compound treatment 1.028 0.00171 0.05 1.027 -8.28E-4 -0.02 0.0178 0.3217 3021169 ChemDiv3_001428 Brc1ccccc1c2nc3sc4CCCc4c3c(=O)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A21 compound treatment 1.016 -0.0103 -0.3 1.015 -0.0128 -0.38 -0.4788 -0.9929 1737060 ChemDiv3_001429 CN1CCc2c(C1)sc3NC(NC(=O)c23)c4ccc(OC(=O)c5ccccc5Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A22 compound treatment 1.041 0.0147 0.43 1.039 0.0112 0.33 0.5349 0.9921 3021170 ChemDiv3_001430 CCOC(=O)c1c(N/C=C\2/C(=O)N(C)c3ccccc23)scc1c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A23 mock treatment 1.008 -0.0183 -0.53 1.014 -0.0138 -0.41 -0.6635 -0.9918 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 A24 mock treatment 1.007 -0.0193 -0.56 1.006 -0.0218 -0.65 -0.8513 -0.9974 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B01 compound treatment 0.991 -0.0353 -1.02 0.997 -0.0308 -0.91 -1.3671 -0.9984 3119501 ChemDiv3_001431 CCOc1ccc(/C=N\n2c(C)nnc2C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B02 compound treatment 1.015 -0.0113 -0.33 1.013 -0.0148 -0.44 -0.5411 -0.9895 3119502 ChemDiv3_001432 CCOc1ccc(/C=C/2\SC(=NC2=O)Nc3cccc(C)c3C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B03 compound treatment 0.999 -0.0273 -0.79 1.004 -0.0238 -0.7 -1.0569 -0.9984 3021171 ChemDiv3_001433 Cc1ccc(CN2CCN(CC2)/N=C\C=C\c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B04 compound treatment 1.013 -0.0133 -0.38 1.001 -0.0268 -0.79 -0.8329 -0.9448 3119503 ChemDiv3_001434 Cn1/c(=N/C(=O)CCSc2ccccc2)/sc3cc(Cl)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B05 compound treatment 0.996 -0.0303 -0.88 0.994 -0.0338 -1.0 -1.3274 -0.9979 1384175 ChemDiv3_001435 Cc1cc(C)n(n1)C(=O)CNC(=O)c2cccs2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B06 compound treatment 0.981 -0.0453 -1.31 0.98 -0.0478 -1.41 -1.9273 -0.9993 3119504 ChemDiv3_001436 CC(C)(C)n1nc2CSCc2c1NC(=O)/C=C/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B07 compound treatment 1.017 -0.00929 -0.27 1.006 -0.0218 -0.65 -0.6465 -0.9247 1576625 ChemDiv3_001437 Cc1ccc(C)c(c1)C(=O)COC(=O)c2cccc(n2)C(=O)OCC(=O)c3cc(C)ccc3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B08 compound treatment 0.999 -0.0273 -0.79 0.998 -0.0298 -0.88 -1.1824 -0.9985 1569810 ChemDiv3_001438 Clc1ccc(COc2ccc3c4CCCc4c(=O)oc3c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B09 compound treatment 1.027 7.14E-4 0.02 1.024 -0.00383 -0.11 -0.0654 -0.5684 1294258 ChemDiv3_001439 Brc1cc(Br)c2cccnc2c1OC(=O)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B10 compound treatment 1.018 -0.00829 -0.24 1.026 -0.00183 -0.05 -0.2079 -0.8452 3119505 ChemDiv3_001440 COc1cc([o+]c2ccccc12)c3ccc(cc3)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B11 compound treatment 1.004 -0.0223 -0.65 1.002 -0.0258 -0.76 -0.9963 -0.9965 3119506 ChemDiv3_001441 C(N1C2=NCCCN2c3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B12 compound treatment 1.028 0.00171 0.05 1.006 -0.0218 -0.65 -0.4212 -0.6508 3021172 ChemDiv3_001442 Clc1ccc2sc(cc(=O)c2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B13 compound treatment 0.996 -0.0303 -0.88 0.989 -0.0388 -1.15 -1.4319 -0.9912 1656193 ChemDiv3_001443 CC(C)(C)c1ccc(Cn2c(=N)n(CCO)c3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B14 compound treatment 0.997 -0.0293 -0.85 0.997 -0.0308 -0.91 -1.2442 -0.9994 1367556 ChemDiv3_001444 Cc1nn(C(=O)C2(CC3CC4CC(C3)C2)C4)c(C)c1Sc5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B15 compound treatment 1.349 0.323 9.35 1.326 0.298 8.82 12.8424 0.9996 3119507 ChemDiv3_001445 O=C1OC2(CCCC2)OC(=O)C1=Cc3c[nH]c4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B16 compound treatment 0.991 -0.0353 -1.02 0.991 -0.0368 -1.09 -1.4925 -0.9995 1164014 ChemDiv3_001446 COc1ccc(Cn2c3ccccc3c4nc5ccccc5nc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B17 compound treatment 0.998 -0.0283 -0.82 1.002 -0.0258 -0.76 -1.1192 -0.9994 1193371 ChemDiv3_001447 CN(C)c1ccc(CNc2ccc3n(cnc3c2)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B18 compound treatment 0.988 -0.0383 -1.11 0.996 -0.0318 -0.94 -1.4494 -0.9967 3119508 ChemDiv3_001448 CCN(CC)c1nc2c(C)cccn2c(=O)c1/C=N/O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B19 compound treatment 1.013 -0.0133 -0.38 0.993 -0.0348 -1.03 -1.0002 -0.9099 3021173 ChemDiv3_001449 CCCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B20 compound treatment 1.018 -0.00829 -0.24 1.016 -0.0118 -0.35 -0.417 -0.9831 1665994 ChemDiv3_001450 C=CCN(CC=C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B21 compound treatment 1.007 -0.0193 -0.56 1.008 -0.0198 -0.59 -0.8095 -0.9997 1144767 ChemDiv3_001451 Cn1cc(C(=O)c2ccccc2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B22 compound treatment 1.011 -0.0153 -0.44 1.005 -0.0228 -0.67 -0.7903 -0.9791 1499357 ChemDiv3_001452 CC(=O)N1CCN(CC1)C(=S)c2ccc(o2)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B23 mock treatment 1.022 -0.00429 -0.12 1.015 -0.0128 -0.38 -0.3559 -0.892 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 B24 mock treatment 0.984 -0.0423 -1.22 0.99 -0.0378 -1.12 -1.6568 -0.999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C01 compound treatment 1.031 0.00471 0.14 1.03 0.00217 0.06 0.142 0.9408 1424763 ChemDiv3_001453 Ic1ccc(Nc2nc3nonc3nc2N4CCCCC4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C02 compound treatment 1.033 0.00671 0.19 1.032 0.00417 0.12 0.2247 0.9759 3021226 ChemDiv3_001454 CCN/1CCS\C1=C/C=C/C2=[N+](CC)CCS2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C03 compound treatment 1.052 0.0257 0.74 1.02 -0.00783 -0.23 0.3629 0.4654 1048602 ChemDiv3_001455 CCCCc1oc2ccccc2c1C(=O)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C04 compound treatment 1.089 0.0627 1.82 1.077 0.0492 1.45 2.3123 0.9939 1647191 ChemDiv3_001456 CC(C)(C)C1CCc2nc(N)c3c(=O)oc4ccccc4c3c2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C05 compound treatment 1.036 0.00971 0.28 1.025 -0.00283 -0.08 0.1398 0.4764 1247277 ChemDiv3_001457 COc1cccc(c1)C2N(C(=O)C)c3ccccc3NC4=C2C(=O)CC(C)(C)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C06 compound treatment 1.081 0.0547 1.58 1.046 0.0182 0.54 1.5004 0.8967 3119509 ChemDiv3_001458 CCC(C)NC(=O)c1nn2C(CC(Nc2c1Cl)c3ccc(OC)cc3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C07 compound treatment 1.052 0.0257 0.74 1.047 0.0192 0.57 0.9274 0.9909 1174490 ChemDiv3_001459 COc1ccc(cc1)C2CC(=NN2S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C08 compound treatment 1.044 0.0177 0.51 1.046 0.0182 0.54 0.7427 0.9997 3021227 ChemDiv3_001460 O=C/1SC(=N\C1=C\c2ccco2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C09 compound treatment 1.076 0.0497 1.44 1.063 0.0352 1.04 1.7534 0.9872 1606754 ChemDiv3_001461 COc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C10 compound treatment 1.018 -0.00829 -0.24 1.011 -0.0168 -0.5 -0.5215 -0.9441 3021228 ChemDiv3_001462 CN(C)/C=C\1/Nc2ccccc2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C11 compound treatment 1.026 -2.86E-4 -0.01 1.027 -8.28E-4 -0.02 -0.0232 -0.8964 3119510 ChemDiv3_001463 Clc1ccccc1/C=C/C(=O)Nn2cnc3ccccc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C12 compound treatment 1.029 0.00271 0.08 1.023 -0.00483 -0.14 -0.0453 -0.2783 3021229 ChemDiv3_001464 C/C(=C\c1ccccc1)/C=C\2/SC(=O)NC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C13 compound treatment 1.061 0.0347 1.01 1.049 0.0212 0.63 1.1535 0.974 3119511 ChemDiv3_001465 CC(C)CCNC=C1C(=O)CC(CC1=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C14 compound treatment 1.011 -0.0153 -0.44 1.014 -0.0138 -0.41 -0.6021 -0.9992 3119512 ChemDiv3_001466 CC(=O)N/1C(=S)NC(=O)\C1=C/c2c(Cl)cccc2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C15 compound treatment 1.022 -0.00429 -0.12 1.019 -0.00883 -0.26 -0.2723 -0.9423 1388103 ChemDiv3_001467 COc1ccc(cc1)n2c(nc3ccccc3c2=O)c4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C16 compound treatment 0.996 -0.0303 -0.88 1.003 -0.0248 -0.73 -1.1393 -0.9961 3119513 ChemDiv3_001468 CN1CCN(Cc2c(O)ccc3c(=O)c(c4ccc(Cl)cc4Cl)c(oc23)C(F)(F)F)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C17 compound treatment 1.006 -0.0203 -0.59 1.0 -0.0278 -0.82 -0.9972 -0.9864 1040451 ChemDiv3_001469 Clc1c(cnn(c2ccccc2)c1=O)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C18 compound treatment 0.897 -0.129 -3.74 0.922 -0.106 -3.13 -4.86 -0.996 3119818 ChemDiv3_001470 CCC(=O)Oc1ccc(Br)cc1/C=C/2\Sc3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C19 compound treatment 1.013 -0.0133 -0.38 1.009 -0.0188 -0.56 -0.6657 -0.9837 1725871 ChemDiv3_001471 CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)oc4ccccc43)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C20 compound treatment 1.026 -2.86E-4 -0.01 1.026 -0.00183 -0.05 -0.0441 -0.806 3021230 ChemDiv3_001472 CCOC(=O)c1c(C)n(CC)c2ccc(OC)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C21 compound treatment 1.023 -0.00329 -0.1 1.021 -0.00683 -0.2 -0.21 -0.9411 1698973 ChemDiv3_001473 Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C22 compound treatment 1.063 0.0367 1.06 1.061 0.0332 0.98 1.4454 0.9992 3119657 ChemDiv3_001474 CN1C(=O)/C(=C/Nc2cccc3ccccc23)/c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C23 mock treatment 1.03 0.00371 0.11 1.03 0.00217 0.06 0.1215 0.9696 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 C24 mock treatment 1.107 0.0807 2.34 1.084 0.0562 1.66 2.8273 0.986 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D01 compound treatment 1.003 -0.0233 -0.67 1.014 -0.0138 -0.41 -0.7659 -0.9712 3021231 ChemDiv3_001475 CCc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D02 compound treatment 1.026 -2.86E-4 -0.01 1.025 -0.00283 -0.08 -0.065 -0.7733 3119658 ChemDiv3_001476 COC(=O)CCN1C(=O)/C(=C\c2cccs2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D03 compound treatment 1.042 0.0157 0.46 1.042 0.0142 0.42 0.6181 0.9991 3119659 ChemDiv3_001477 Clc1ccc(CN2CCN(CC2)/N=C\3/C(=O)Nc4ccccc34)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D04 compound treatment 1.062 0.0357 1.03 1.046 0.0182 0.54 1.1113 0.9535 1518636 ChemDiv3_001478 CCOC(=O)C1CCN(CC1)C(=S)NC2Cc3ccccc3C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D05 compound treatment 1.018 -0.00829 -0.24 1.027 -8.28E-4 -0.02 -0.187 -0.7752 1671796 ChemDiv3_001479 Cc1cc(C)n(n1)C(=O)CNC(=O)COc2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D06 compound treatment 1.109 0.0827 2.4 1.082 0.0542 1.6 2.8264 0.9808 1229552 ChemDiv3_001480 Cc1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D07 compound treatment 1.023 -0.00329 -0.1 1.021 -0.00683 -0.2 -0.21 -0.9411 1448199 ChemDiv3_001481 O=C(c1ccccc1)c2ccc(Oc3cc(C#N)c4ccccc4n3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D08 compound treatment 1.018 -0.00829 -0.24 1.016 -0.0118 -0.35 -0.417 -0.9831 1186512 ChemDiv3_001482 OC(=O)COc1cc2oc(=O)c3CCCc3c2cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D09 compound treatment 1.016 -0.0103 -0.3 1.01 -0.0178 -0.53 -0.5833 -0.9635 1377235 ChemDiv3_001483 CCCCn1c(N)nc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D10 compound treatment 1.017 -0.00929 -0.27 1.012 -0.0158 -0.47 -0.5211 -0.9654 1023460 ChemDiv3_001484 Cc1cc(cc([o+]1)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D11 compound treatment 1.013 -0.0133 -0.38 1.015 -0.0128 -0.38 -0.5402 -1.0 3021232 ChemDiv3_001485 Brc1ccc(s1)C(=O)CN2C3=NCCCN3c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D12 compound treatment 1.041 0.0147 0.43 1.026 -0.00183 -0.05 0.2631 0.6125 1192182 ChemDiv3_001486 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N2CCCC2)c3ccccn3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D13 compound treatment 0.865 -0.161 -4.67 0.88 -0.148 -4.37 -6.3934 -0.9994 1376656 ChemDiv3_001487 CCCCn1c(=N)n(CCOc2ccccc2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D14 compound treatment 1.045 0.0187 0.54 1.027 -8.28E-4 -0.02 0.3659 0.6745 1598019 ChemDiv3_001488 CC(=O)Oc1ccc2c(=O)c(c(C)oc2c1C)c3ccccc3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D15 compound treatment 1.009 -0.0173 -0.5 1.013 -0.0148 -0.44 -0.664 -0.9978 3119660 ChemDiv3_001489 CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c3cccc(Cl)c3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D16 compound treatment 1.04 0.0137 0.4 1.04 0.0122 0.36 0.5353 0.9988 1618279 ChemDiv3_001490 Cc1ccc2nc(Cl)c(CC3CC(=NN3C(=O)CCCC(=O)O)c4ccccc4)cc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D17 compound treatment 1.034 0.00771 0.22 1.034 0.00617 0.18 0.287 0.995 1508458 ChemDiv3_001491 Cc1ccc(cc1)n2cnc3cc(NC(=O)c4ccccc4)ccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D18 compound treatment 1.017 -0.00929 -0.27 1.015 -0.0128 -0.38 -0.4583 -0.9858 1297401 ChemDiv3_001492 Cc1cc(OCc2c(F)cccc2Cl)c3c4CCCCc4c(=O)oc3c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D19 compound treatment 1.028 0.00171 0.05 1.029 0.00117 0.03 0.0596 0.9846 1442148 ChemDiv3_001493 Cc1cccc(c1)N2COc3ccc4ccccc4c3C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D20 compound treatment 0.912 -0.114 -3.31 0.936 -0.0918 -2.71 -4.2602 -0.9952 1177599 ChemDiv3_001494 COc1ccccc1C(=O)Nc2c3CSCc3nn2c4ccc(Oc5ccccc5)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D21 compound treatment 1.042 0.0157 0.46 1.042 0.0142 0.42 0.6181 0.9991 1313552 ChemDiv3_001495 O=C(Cn1c2ncnn2c3ccccc13)c4ccc(cc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D22 compound treatment 1.031 0.00471 0.14 1.028 1.72E-4 0.01 0.1001 0.733 1124488 ChemDiv3_001496 CSc1nc2ccc3nc(NC(=O)c4ccccc4C)sc3c2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D23 mock treatment 1.028 0.00171 0.05 1.031 0.00317 0.09 0.1014 0.9558 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 D24 mock treatment 1.034 0.00771 0.22 1.03 0.00217 0.06 0.2034 0.875 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E01 compound treatment 1.028 0.00171 0.05 1.034 0.00617 0.18 0.1641 0.8679 1465681 ChemDiv3_001497 Brc1ccc(NC(=O)c2ccc3nsnc3c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E02 compound treatment 1.036 0.00971 0.28 1.032 0.00417 0.12 0.2862 0.9315 1437302 ChemDiv3_001498 Clc1nc(NCCN2CCOCC2)nc(NC3CCCCC3)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E03 compound treatment 1.033 0.00671 0.19 1.029 0.00117 0.03 0.162 0.8202 1173233 ChemDiv3_001499 S=C(Nc1ccccc1)Nc2ccc3c(c2)oc4ccccc43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E04 compound treatment 1.024 -0.00229 -0.07 1.021 -0.00683 -0.2 -0.1895 -0.8922 1598038 ChemDiv3_001500 CCOc1cccc(c1)C(=O)Oc2cccc3ccc(C)nc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E05 compound treatment 1.041 0.0147 0.43 1.042 0.0142 0.42 0.5976 1.0 1192729 ChemDiv3_001501 CC(C)OC(=O)C1=C(C)OC23OC(=C(C#N)C31C(=O)c4ccccc42)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E06 compound treatment 1.09 0.0637 1.85 1.068 0.0402 1.19 2.1446 0.9773 1490936 ChemDiv3_001502 CCC(C)C1NC(=O)NC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E07 compound treatment 1.028 0.00171 0.05 1.032 0.00417 0.12 0.1223 0.92 3119661 ChemDiv3_001503 Cc1ccc2nc(O)c(C3=NN(C(C3)c4ccccc4)C(=O)CCC(=O)O)c(c5ccccc5)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E08 compound treatment 1.016 -0.0103 -0.3 1.023 -0.00483 -0.14 -0.3116 -0.9432 1449149 ChemDiv3_001504 CCC(=O)Nc1ccc(cc1NC(=O)CC)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E09 compound treatment 1.016 -0.0103 -0.3 1.014 -0.0138 -0.41 -0.4997 -0.9879 1579424 ChemDiv3_001505 Cc1c(Cc2ccccc2)c(Cl)n3c4ccccc4nc3c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E10 compound treatment 1.026 -2.86E-4 -0.01 1.025 -0.00283 -0.08 -0.065 -0.7733 3119662 ChemDiv3_001506 CCN1C(=O)/C(=C\C=C\c2ccccc2Cl)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E11 compound treatment 1.016 -0.0103 -0.3 1.006 -0.0218 -0.65 -0.667 -0.9384 1182144 ChemDiv3_001507 Cc1cc(N2CCOCC2)c3c(N)cc(C)c(C)c3n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E12 compound treatment 1.019 -0.00729 -0.21 1.02 -0.00783 -0.23 -0.3128 -0.9989 3021233 ChemDiv3_001508 COc1cc(/C=C\2/SC(=S)NC2=O)ccc1OC(=O)c3cccc(C)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E13 compound treatment 1.004 -0.0223 -0.65 1.003 -0.0248 -0.73 -0.9754 -0.9979 1369185 ChemDiv3_001509 CCNCC(O)c1cccc(OC(=O)c2ccccc2C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E14 compound treatment 0.974 -0.0523 -1.51 0.977 -0.0508 -1.5 -2.1334 -1.0 3119663 ChemDiv3_001510 CCN1C(=O)/C(=C/2\NC(=S)NC2=O)/c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E15 compound treatment 1.006 -0.0203 -0.59 1.005 -0.0228 -0.67 -0.8927 -0.9976 1448713 ChemDiv3_001511 CC(=O)Nc1ccccc1C(=O)N(Cc2ccccc2)Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E16 compound treatment 1.028 0.00171 0.05 1.03 0.00217 0.06 0.0805 0.9919 3119664 ChemDiv3_001512 Cc1ccccc1/N=C/2\C(=O)N(CN3CCCCC3)c4ccc(Br)cc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E17 compound treatment 1.125 0.0987 2.86 1.112 0.0842 2.49 3.7813 0.9976 3021234 ChemDiv3_001513 Clc1c(cn[nH]c1=O)N2CCCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E18 compound treatment 1.018 -0.00829 -0.24 1.022 -0.00583 -0.17 -0.2915 -0.9868 3119665 ChemDiv3_001514 C/C(=C/1\Sc2ccccc2C1=O)/Nc3ccc(C)cc3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E19 compound treatment 1.035 0.00871 0.25 1.034 0.00617 0.18 0.3075 0.9873 1455795 ChemDiv3_001515 O=C(COc1ccc2ccccc2c1)Nc3cccc(c3)c4nc5ncccc5o4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E20 compound treatment 1.059 0.0327 0.95 1.074 0.0462 1.37 1.6352 0.9841 1548836 ChemDiv3_001516 CCOC(=O)c1c(C)n(c2ccc(OC)cc2)c3ccc(OC)cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E21 compound treatment 0.968 -0.0583 -1.69 0.968 -0.0598 -1.77 -2.4444 -0.9997 3021235 ChemDiv3_001517 Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E22 compound treatment 1.028 0.00171 0.05 1.028 1.72E-4 0.01 0.0387 0.7756 3119666 ChemDiv3_001518 O=C/1OC(=N\C1=C/Nc2ccccc2)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E23 mock treatment 1.14 0.114 3.29 1.101 0.0732 2.16 3.8585 0.9792 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 E24 mock treatment 1.058 0.0317 0.92 1.052 0.0242 0.71 1.1548 0.9923 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F01 compound treatment 1.012 -0.0143 -0.41 1.024 -0.00383 -0.11 -0.3726 -0.8686 3119667 ChemDiv3_001519 Clc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F02 compound treatment 1.025 -0.00129 -0.04 1.028 1.72E-4 0.01 -0.0227 -0.6047 3021236 ChemDiv3_001520 Brc1cccc(/C=C/2\SC(=S)N(CC(=O)N3CCCc4ccccc34)C2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F03 compound treatment 1.017 -0.00929 -0.27 1.014 -0.0138 -0.41 -0.4792 -0.9794 3119668 ChemDiv3_001521 C(N1CCN(CC1)/N=C/C=C/c2ccccc2)c3cccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F04 compound treatment 1.026 -2.86E-4 -0.01 1.025 -0.00283 -0.08 -0.065 -0.7733 1686599 ChemDiv3_001522 O=C(NCc1n[nH]c(=S)n1c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F05 compound treatment 1.132 0.106 3.06 1.08 0.0522 1.54 3.2556 0.9496 1371196 ChemDiv3_001523 CCOc1ccc(cc1)C(=O)NCC(=O)n2nc(C)cc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F06 compound treatment 1.027 7.14E-4 0.02 1.025 -0.00283 -0.08 -0.0445 -0.5166 1292858 ChemDiv3_001524 Clc1ccc(cc1)n2nc3CSCc3c2NC(=O)Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F07 compound treatment 1.021 -0.00529 -0.15 1.028 1.72E-4 0.01 -0.1046 -0.6832 1135980 ChemDiv3_001525 COc1cccc(c1)C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cccc(OC)c4)cc3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F08 compound treatment 1.012 -0.0143 -0.41 1.009 -0.0188 -0.56 -0.6862 -0.9893 3021237 ChemDiv3_001526 CC(C)C(N1C(=O)/C(=C/c2ccc(C)cc2)/SC1=S)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F09 compound treatment 1.034 0.00771 0.22 1.038 0.0102 0.3 0.3706 0.9893 1387806 ChemDiv3_001527 Nc1nc2ccccc2n1CCN3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F10 compound treatment 1.033 0.00671 0.19 1.03 0.00217 0.06 0.1829 0.8932 3119819 ChemDiv3_001528 Cc1ccccc1C2CC(=O)NC(=C2C#N)SCC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F11 compound treatment 1.022 -0.00429 -0.12 1.031 0.00317 0.09 -0.0214 -0.1378 1175819 ChemDiv3_001529 CCn1c2nc(C)c(C(=O)OC)n2c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F12 compound treatment 1.085 0.0587 1.7 1.064 0.0362 1.07 1.9586 0.975 3021293 ChemDiv3_001530 COc1cc(/C=C/2\SC(=S)N(C(C(C)C)C(=O)O)C2=O)cc(OC)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F13 compound treatment 1.73 0.704 20.38 1.382 0.354 10.47 21.8154 0.9521 1207608 ChemDiv3_001531 Cc1ccc(OCCn2c(N)nc3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F14 compound treatment 1.02 -0.00629 -0.18 1.017 -0.0108 -0.32 -0.3551 -0.9642 3021294 ChemDiv3_001532 CC(=O)Oc1ccc2c(=O)c(c3ccccc3)c(oc2c1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F15 compound treatment 1.029 0.00271 0.08 1.026 -0.00183 -0.05 0.0174 0.1822 1429215 ChemDiv3_001533 Brc1cccc(NC(=O)C2C(=C2c3ccccc3)c4ccccc4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F16 compound treatment 1.013 -0.0133 -0.38 1.007 -0.0208 -0.62 -0.7075 -0.9744 1221702 ChemDiv3_001534 COc1ccc(cc1)C2=NN(C(C2)c3cc4ccccc4nc3Cl)C(=O)c5cccs5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F17 compound treatment 1.027 7.14E-4 0.02 1.023 -0.00483 -0.14 -0.0863 -0.5984 1912856 ChemDiv3_001535 Clc1ccccc1S(=O)(=O)NC(=O)NCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F18 compound treatment 1.003 -0.0233 -0.67 1.0 -0.0278 -0.82 -1.0586 -0.9951 3021295 ChemDiv3_001536 COC(=O)C1=C(C)N(C)C(=S)NC1c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F19 compound treatment 1.035 0.00871 0.25 1.031 0.00317 0.09 0.2448 0.9091 3021296 ChemDiv3_001537 C=CCn1c(=S)n(CC=C)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F20 compound treatment 1.04 0.0137 0.4 1.032 0.00417 0.12 0.3681 0.885 1512592 ChemDiv3_001538 CC(C)C(=O)Nc1c2CSCc2nn1c3ccc(Oc4ccccc4)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F21 compound treatment 1.072 0.0457 1.32 1.067 0.0392 1.16 1.7551 0.9978 1573297 ChemDiv3_001539 c1coc(c1)c2cn3ccc4ccccc4c3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F22 compound treatment 1.049 0.0227 0.66 1.06 0.0322 0.95 1.1378 0.9838 1238343 ChemDiv3_001540 CSc1nc2ccc3nc(NC(=O)c4ccccc4Cl)sc3c2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F23 mock treatment 1.025 -0.00129 -0.04 1.029 0.00117 0.03 -0.0018 -0.0357 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 F24 mock treatment 1.04 0.0137 0.4 1.038 0.0102 0.3 0.4935 0.9906 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G01 compound treatment 1.027 7.14E-4 0.02 1.025 -0.00283 -0.08 -0.0445 -0.5166 3119820 ChemDiv3_001541 COC(=O)c1cc(ccc1Cl)c2ccc(/C=C\3/C(=C(C#N)C(=O)N=C3O)C)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G02 compound treatment 1.017 -0.00929 -0.27 1.017 -0.0108 -0.32 -0.4165 -0.9962 3021297 ChemDiv3_001542 COc1nc(Nc2ccc3OCOc3c2)nc(OC)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G03 compound treatment 1.029 0.00271 0.08 1.025 -0.00283 -0.08 -0.0035 -0.0308 1468410 ChemDiv3_001543 CC1(C)CC(=O)C=C(C1)NCC2CCN(CC2)C(=S)Nc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G04 compound treatment 1.047 0.0207 0.6 1.037 0.00917 0.27 0.616 0.9356 3119821 ChemDiv3_001544 CCOC(=O)c1cc2NC(CC(n2n1)C(F)(F)F)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G05 compound treatment 1.019 -0.00729 -0.21 1.022 -0.00583 -0.17 -0.271 -0.9949 3021298 ChemDiv3_001545 CC(C)OC(=O)CSc1nc2ccccc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G06 compound treatment 1.291 0.265 7.67 1.225 0.197 5.83 9.5431 0.9909 3119822 ChemDiv3_001546 CCc1ccc(cc1)N2N(O)c3ccccc3NC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G07 compound treatment 1.03 0.00371 0.11 1.024 -0.00383 -0.11 -0.004 -0.0254 1165154 ChemDiv3_001547 Cc1cc(C)cc(CC2CC(=O)N(CCc3ccc4OCOc4c3)C2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G08 compound treatment 1.025 -0.00129 -0.04 1.026 -0.00183 -0.05 -0.0645 -0.9835 1431964 ChemDiv3_001548 CC(=O)N1CC2(NC(=O)c3ccccc3N2)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G09 compound treatment 1.043 0.0167 0.48 1.038 0.0102 0.3 0.555 0.9738 1737262 ChemDiv3_001549 Cc1cc(NCCO)n2c3ccccc3nc2c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G10 compound treatment 1.005 -0.0213 -0.62 1.0 -0.0278 -0.82 -1.0177 -0.9899 3119823 ChemDiv3_001550 CCN1C(=O)/C(=C\c2ccsc2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G11 compound treatment 1.119 0.0927 2.69 1.097 0.0692 2.05 3.3448 0.991 3119824 ChemDiv3_001551 O=C1CC(CC(=O)C1=CNCc2ccncc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G12 compound treatment 0.987 -0.0393 -1.14 0.988 -0.0398 -1.18 -1.6372 -0.9999 3021299 ChemDiv3_001552 COc1ccc(cc1)N2C(=O)/C(=C\C=C\c3ccccc3)/SC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G13 compound treatment 1.009 -0.0173 -0.5 1.002 -0.0258 -0.76 -0.8939 -0.979 3119825 ChemDiv3_001553 COc1ccc(/C=c/2\oc3cccc4c(OC)ccc(c2=O)c34)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G14 compound treatment 0.917 -0.109 -3.16 0.936 -0.0918 -2.71 -4.1578 -0.9971 1172050 ChemDiv3_001554 CCOC(=O)c1ccc(Nc2ncnc3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G15 compound treatment 0.996 -0.0303 -0.88 1.001 -0.0268 -0.79 -1.1811 -0.9987 3119826 ChemDiv3_001555 COc1cc(/C=C/2\SC(=S)NC2=O)ccc1OCc3cccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G16 compound treatment 1.026 -2.86E-4 -0.01 1.023 -0.00483 -0.14 -0.1068 -0.7468 3119827 ChemDiv3_001556 O=C/1N(CN2CCOCC2)c3ccccc3\C1=N\c4cccnc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G17 compound treatment 1.066 0.0397 1.15 1.053 0.0252 0.74 1.3395 0.9778 3021300 ChemDiv3_001557 CC1=C(C(NC(=S)N1)c2ccc(F)cc2)C(=O)Nc3cccc(Cl)c3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G18 compound treatment 1.022 -0.00429 -0.12 1.015 -0.0128 -0.38 -0.3559 -0.892 3119828 ChemDiv3_001558 CC(=O)N(/N=C/1\Sc2ccccc2C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G19 compound treatment 1.015 -0.0113 -0.33 1.013 -0.0148 -0.44 -0.5411 -0.9895 1604755 ChemDiv3_001559 O=C(COc1ccc2ccccc2c1)Nc3ccc4nn(nc4c3)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G20 compound treatment 1.054 0.0277 0.8 1.059 0.0312 0.92 1.2192 0.9976 1447009 ChemDiv3_001560 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OC(=O)C)cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G21 compound treatment 1.039 0.0127 0.37 1.033 0.00517 0.15 0.3685 0.9242 3119829 ChemDiv3_001561 CCc1ccc(cc1)N2NC(=O)/C(=C\c3c(C)c(C#N)c4nc5ccccc5n4c3O)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G22 compound treatment 1.029 0.00271 0.08 1.023 -0.00483 -0.14 -0.0453 -0.2783 3021301 ChemDiv3_001562 CC/1=NN(C(=S)\C1=C\Nc2cccc(Br)c2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G23 mock treatment 1.011 -0.0153 -0.44 1.014 -0.0138 -0.41 -0.6021 -0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 G24 mock treatment 1.015 -0.0113 -0.33 1.019 -0.00883 -0.26 -0.4157 -0.9938 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H01 compound treatment 1.025 -0.00129 -0.04 1.025 -0.00283 -0.08 -0.0854 -0.9336 3119830 ChemDiv3_001563 Oc1ccc2ccccc2c1/C=N/N3CCN(Cc4ccccc4)CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H02 compound treatment 1.032 0.00571 0.17 1.035 0.00717 0.21 0.267 0.9925 1322139 ChemDiv3_001564 CCOC(=O)c1c(C)n(c2ccccc2)c3ccc(OC(=O)c4ccccc4NC(=O)CC)cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H03 compound treatment 1.138 0.112 3.24 1.118 0.0902 2.67 4.1729 0.9954 3119831 ChemDiv3_001565 C1CN(CCN1/N=C\c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H04 compound treatment 1.036 0.00971 0.28 1.034 0.00617 0.18 0.328 0.978 3119832 ChemDiv3_001566 CCOc1ccc2n(C)/c(=N/C(=O)c3cc4ccccc4cc3OC)/sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H05 compound treatment 1.022 -0.00429 -0.12 1.023 -0.00483 -0.14 -0.1887 -0.9976 1575164 ChemDiv3_001567 O=C(Sc1ccc(Oc2ccc(SC(=O)c3ccco3)cc2)cc1)c4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H06 compound treatment 1.01 -0.0163 -0.47 1.012 -0.0158 -0.47 -0.6644 -1.0 1615009 ChemDiv3_001568 CC(C)(C)n1nc2CSCc2c1NC(=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H07 compound treatment 1.065 0.0387 1.12 1.061 0.0332 0.98 1.4863 0.9978 1373227 ChemDiv3_001569 OC(=O)C1CCCCC1C(=O)Nc2cccc(c2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H08 compound treatment 1.04 0.0137 0.4 1.037 0.00917 0.27 0.4726 0.9827 1684031 ChemDiv3_001570 OCc1cc(=O)c(O)c(o1)C(Nc2ccccn2)c3ccccc3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H09 compound treatment 1.009 -0.0173 -0.5 1.007 -0.0208 -0.62 -0.7894 -0.9947 1601378 ChemDiv3_001571 OC(Cn1c(=N)n(Cc2ccccc2)c3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H10 compound treatment 1.06 0.0337 0.98 1.047 0.0192 0.57 1.0912 0.9665 3119833 ChemDiv3_001572 CCOc1ccc(cc1)c2c(C#N)c(N)nc(SCC(=O)c3ccc(Cl)cc3)c2C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H11 compound treatment 0.998 -0.0283 -0.82 1.0 -0.0278 -0.82 -1.161 -1.0 1449806 ChemDiv3_001573 COc1ccc(cc1)C(=O)Cn2c(=N)n(CC=C)c3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H12 compound treatment 1.024 -0.00229 -0.07 1.027 -8.28E-4 -0.02 -0.0641 -0.9084 3119834 ChemDiv3_001574 Cc1ccc(Sc2c(nc3sccn23)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H13 compound treatment 1.213 0.187 5.41 1.188 0.16 4.74 7.1722 0.9978 1668029 ChemDiv3_001575 Nc1nc2ccccc2n1CCOc3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H14 compound treatment 1.017 -0.00929 -0.27 1.013 -0.0148 -0.44 -0.5001 -0.9725 3119835 ChemDiv3_001576 COc1ccc2c(=O)c(c3ccccc3C)c(oc2c1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H15 compound treatment 1.03 0.00371 0.11 1.023 -0.00483 -0.14 -0.0249 -0.1391 3021302 ChemDiv3_001577 Brc1cccc(c1)N2C(=O)C3C(C(C=CC3c4ccccc4)c5ccccc5)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H16 compound treatment 1.047 0.0207 0.6 1.041 0.0132 0.39 0.6996 0.9781 3119836 ChemDiv3_001578 Cc1ccc(cc1)C2CC(=NN2C(=O)c3ccc(Br)o3)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H17 compound treatment 1.029 0.00271 0.08 1.029 0.00117 0.03 0.0801 0.9323 1123601 ChemDiv3_001579 CCOC(=O)CNc1ccc(cc1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H18 compound treatment 1.008 -0.0183 -0.53 1.009 -0.0188 -0.56 -0.7681 -0.9997 3119837 ChemDiv3_001580 Clc1ccc(cc1)C(=O)/C=C/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H19 compound treatment 1.04 0.0137 0.4 1.048 0.0202 0.6 0.7026 0.9805 3119838 ChemDiv3_001581 Cc1ccc(O)c(c1)c2cc(nc(n2)c3ccccc3)C(F)(F)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H20 compound treatment 1.024 -0.00229 -0.07 1.024 -0.00383 -0.11 -0.1268 -0.9674 3021303 ChemDiv3_001582 Cc1ccc(c(C)c1)n2nc3CSCc3c2NC(=O)Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H21 compound treatment 1.016 -0.0103 -0.3 1.019 -0.00883 -0.26 -0.3952 -0.9978 1718858 ChemDiv3_001583 Cc1nc2n(CCN3CCOCC3)c4ccccc4n2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H22 compound treatment 0.963 -0.0633 -1.83 0.958 -0.0698 -2.06 -2.7558 -0.9982 1657446 ChemDiv3_001584 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)c4ccc(Oc5ccccc5)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H23 mock treatment 1.018 -0.00829 -0.24 1.017 -0.0108 -0.32 -0.396 -0.9899 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 H24 mock treatment 1.033 0.00671 0.19 1.026 -0.00183 -0.05 0.0993 0.492 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I01 compound treatment 1.023 -0.00329 -0.1 1.025 -0.00283 -0.08 -0.1264 -0.9979 1538533 ChemDiv3_001585 COc1ccc(cc1)C2NC(=S)NC(=C2C(=O)N)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I02 compound treatment 1.001 -0.0253 -0.73 1.01 -0.0178 -0.53 -0.8905 -0.987 3119978 ChemDiv3_001586 Cc1cccc(CSCc2nnc(NC(=O)/C=C/c3ccccc3)s2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I03 compound treatment 1.011 -0.0153 -0.44 1.001 -0.0268 -0.79 -0.8739 -0.9621 3021304 ChemDiv3_001587 CC1(C)CC(=O)C(=CNCCN2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I04 compound treatment 1.004 -0.0223 -0.65 1.003 -0.0248 -0.73 -0.9754 -0.9979 3119979 ChemDiv3_001588 FC(F)(F)c1c2CCc3ccccc3-c2nc4cc(nn14)C(=O)Nc5ccc(Cl)cc5Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I05 compound treatment 1.025 -0.00129 -0.04 1.011 -0.0168 -0.5 -0.3781 -0.7579 1590870 ChemDiv3_001589 CCOc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I06 compound treatment 1.019 -0.00729 -0.21 1.015 -0.0128 -0.38 -0.4174 -0.9617 3119980 ChemDiv3_001590 CC(C)N1C(=O)/C(=C/c2cccc(Br)c2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I07 compound treatment 1.04 0.0137 0.4 1.022 -0.00583 -0.17 0.159 0.3673 3119981 ChemDiv3_001591 OC(=O)C(CC(=O)Nc1cccc(c1)C(F)(F)F)Cc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I08 compound treatment 1.024 -0.00229 -0.07 1.024 -0.00383 -0.11 -0.1268 -0.9674 3427363 ChemDiv3_001592 COc1cc2CCN3CC4N(CCc5cc(OC)c(OC)cc45)CC3c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I09 compound treatment 1.009 -0.0173 -0.5 1.0 -0.0278 -0.82 -0.9358 -0.9716 1494132 ChemDiv3_001593 N#Cc1c2CCCc2c(Nc3ccccc3)n4c5ccccc5nc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I10 compound treatment 0.996 -0.0303 -0.88 0.996 -0.0318 -0.94 -1.2856 -0.9994 3119982 ChemDiv3_001594 C/C(=C\c1ccccc1)/C=C\2/SC(=S)N(C3CCCCC3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I11 compound treatment 1.014 -0.0123 -0.36 1.003 -0.0248 -0.73 -0.7706 -0.9447 3021305 ChemDiv3_001595 O=C1CC(CC(=O)C1=CNCCN2CCOCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I12 compound treatment 0.92 -0.106 -3.08 0.951 -0.0768 -2.27 -3.7827 -0.9888 3119983 ChemDiv3_001596 O=C/1N\C(=N/c2ccccc2)\S\C1=C\c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I13 compound treatment 0.998 -0.0283 -0.82 0.992 -0.0358 -1.06 -1.3283 -0.9919 3021306 ChemDiv3_001597 COc1ccc2c(=O)/c(=C/c3ccc4OCOc4c3)/oc5cccc1c52 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I14 compound treatment 0.98 -0.0463 -1.34 0.99 -0.0378 -1.12 -1.7387 -0.9959 1203947 ChemDiv3_001598 CC(C)Nc1nc(nc2ccccc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I15 compound treatment 1.023 -0.00329 -0.1 1.016 -0.0118 -0.35 -0.3146 -0.868 3021307 ChemDiv3_001599 COc1cc(/C=c\2/sc3nc4ccccc4n3c2=O)cc(OC)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I16 compound treatment 1.0 -0.0263 -0.76 1.003 -0.0248 -0.73 -1.0573 -0.9998 3119984 ChemDiv3_001600 CN(C)CN1C(=O)/C(=N\c2ccc3ccccc3c2)/c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I17 compound treatment 1.009 -0.0173 -0.5 1.004 -0.0238 -0.7 -0.8521 -0.986 1726741 ChemDiv3_001601 O=C(NCc1ccncc1)C2c3ccccc3Oc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I18 compound treatment 1.016 -0.0103 -0.3 1.023 -0.00483 -0.14 -0.3116 -0.9432 3021308 ChemDiv3_001602 CCOc1ccc(cc1)N(/C=C/2\Sc3ccccc3C2=O)C(=O)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I19 compound treatment 1.019 -0.00729 -0.21 1.018 -0.00983 -0.29 -0.3547 -0.9877 1339625 ChemDiv3_001603 Fc1ccccc1C(=O)Nc2ccc3OCCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I20 compound treatment 1.015 -0.0113 -0.33 1.013 -0.0148 -0.44 -0.5411 -0.9895 1713175 ChemDiv3_001604 COc1ccc2n(c(C)c(C(=O)O)c2c1)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I21 compound treatment 1.036 0.00971 0.28 1.026 -0.00183 -0.05 0.1607 0.561 3119985 ChemDiv3_001605 OC(=O)c1ccc(cc1)n2nnnc2SCC(=O)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I22 compound treatment 1.005 -0.0213 -0.62 1.016 -0.0118 -0.35 -0.6832 -0.9639 3119986 ChemDiv3_001606 CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I23 mock treatment 1.009 -0.0173 -0.5 1.01 -0.0178 -0.53 -0.7267 -0.9997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 I24 mock treatment 1.079 0.0527 1.53 1.085 0.0572 1.69 2.2748 0.9987 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J01 compound treatment 0.998 -0.0283 -0.82 1.014 -0.0138 -0.41 -0.8683 -0.9484 3021309 ChemDiv3_001607 Cc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J02 compound treatment 1.014 -0.0123 -0.36 1.011 -0.0168 -0.5 -0.6034 -0.9865 1644734 ChemDiv3_001608 C=CCNC(=O)c1cc(=O)c2ccccc2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J03 compound treatment 1.088 0.0617 1.79 1.065 0.0372 1.1 2.0409 0.9727 3021310 ChemDiv3_001609 COc1ccccc1/C=C/C=N\N2CCN(CC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J04 compound treatment 1.038 0.0117 0.34 1.026 -0.00183 -0.05 0.2017 0.5871 1423874 ChemDiv3_001610 O=C(CCOc1ccccc1)Nc2nc3c(ccc4ccccc34)s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J05 compound treatment 0.973 -0.0533 -1.54 0.984 -0.0438 -1.3 -2.0075 -0.9962 1201781 ChemDiv3_001611 O=C(COC(=O)c1ccccc1Nc2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J06 compound treatment 1.025 -0.00129 -0.04 1.01 -0.0178 -0.53 -0.399 -0.7552 1685020 ChemDiv3_001612 CC(C)(C)c1ccc(cc1)C(=O)Nc2c3CSCc3nn2c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J07 compound treatment 1.035 0.00871 0.25 1.03 0.00217 0.06 0.2239 0.8597 1369848 ChemDiv3_001613 COc1ccc(NC(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J08 compound treatment 0.974 -0.0523 -1.51 0.965 -0.0628 -1.86 -2.3842 -0.9949 3021370 ChemDiv3_001614 CC(N1C(=O)/C(=C\c2ccc(C)o2)/SC1=S)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J09 compound treatment 1.017 -0.00929 -0.27 1.026 -0.00183 -0.05 -0.2284 -0.8325 1352921 ChemDiv3_001615 COC(=O)Cn1c(=N)n(C)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J10 compound treatment 1.072 0.0457 1.32 1.05 0.0222 0.66 1.3997 0.9475 1463142 ChemDiv3_001616 COC(=O)C1C(C(=C(NC1=O)SCc2ccccc2)C#N)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J11 compound treatment 1.112 0.0857 2.48 1.082 0.0542 1.6 2.8878 0.9775 1215092 ChemDiv3_001617 C=CCn1c(=N)n(CC(=O)c2ccc(cc2)c3ccccc3)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J12 compound treatment 1.049 0.0227 0.66 1.037 0.00917 0.27 0.6569 0.9232 3021371 ChemDiv3_001618 COc1ccc(cc1)C(=O)On2c(cc3ccccc23)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J13 compound treatment 1.035 0.00871 0.25 1.033 0.00517 0.15 0.2866 0.9712 1340086 ChemDiv3_001619 O=C(Nc1ccccc1C(=O)NC2CCCCC2)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J14 compound treatment 1.014 -0.0123 -0.36 1.006 -0.0218 -0.65 -0.7079 -0.9606 3021372 ChemDiv3_001620 Oc1ccccc1/C=C/2\N=C3CCCCCN3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J15 compound treatment 1.074 0.0477 1.38 1.073 0.0452 1.34 1.9215 0.9999 1558867 ChemDiv3_001621 Cc1cc(C)cc(NC(=O)Nc2ccccc2C(=O)Nc3cc(C)cc(C)c3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J16 compound treatment 1.055 0.0287 0.83 1.05 0.0222 0.66 1.0516 0.9931 1137505 ChemDiv3_001622 Cc1ccc(cc1)C2=NN(C(C2)c3cn(nc3c4ccc(C)cc4)c5ccccc5)C(=O)CCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J17 compound treatment 1.044 0.0177 0.51 1.044 0.0162 0.48 0.7009 0.9994 1319284 ChemDiv3_001623 Cc1cc(O)ccc1n2c(=O)c3cc4c(=O)n(c5ccc(O)cc5C)c(=O)c4cc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J18 compound treatment 1.019 -0.00729 -0.21 1.019 -0.00883 -0.26 -0.3338 -0.9944 1596958 ChemDiv3_001624 CC1CCc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N(CC=C)CC=C)sc2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J19 compound treatment 1.013 -0.0133 -0.38 1.018 -0.00983 -0.29 -0.4775 -0.9904 3021373 ChemDiv3_001625 FC(F)(F)C1(CC(=O)c2ccco2)NCCN1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J20 compound treatment 1.015 -0.0113 -0.33 1.009 -0.0188 -0.56 -0.6247 -0.9678 3119987 ChemDiv3_001626 Cc1ccc(cc1)n2nc3CSCc3c2NC(=O)/C=C\c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J21 compound treatment 1.017 -0.00929 -0.27 1.019 -0.00883 -0.26 -0.3747 -0.9999 3021374 ChemDiv3_001627 O=C(CCCN1C(=O)/C(=C\c2cccs2)/SC1=S)N3CCCc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J22 compound treatment 1.0 -0.0263 -0.76 0.993 -0.0348 -1.03 -1.2664 -0.989 3119988 ChemDiv3_001628 Cn1/c(=N\C(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3)/sc4c1ccc5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J23 mock treatment 1.005 -0.0213 -0.62 1.008 -0.0198 -0.59 -0.8504 -0.9997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 J24 mock treatment 1.01 -0.0163 -0.47 0.998 -0.0298 -0.88 -0.9571 -0.957 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K01 compound treatment 1.016 -0.0103 -0.3 1.016 -0.0118 -0.35 -0.4579 -0.9968 1467244 ChemDiv3_001629 CC(C)(C)c1cc(cc(c1)S(=O)(=O)CCc2ccccn2)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K02 compound treatment 1.02 -0.00629 -0.18 1.019 -0.00883 -0.26 -0.3133 -0.9845 3021375 ChemDiv3_001630 Fc1ccccc1CSCc2nnc(NC(=O)/C=C/c3ccccc3)s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K03 compound treatment 1.022 -0.00429 -0.12 1.013 -0.0148 -0.44 -0.3978 -0.873 3119989 ChemDiv3_001631 CCCC/1=NN(C(=O)\C1=C\N(C)C)c2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K04 compound treatment 1.008 -0.0183 -0.53 1.01 -0.0178 -0.53 -0.7472 -1.0 3119990 ChemDiv3_001632 CC(C)OC(=O)c1cnn2c(cc(nc12)c3ccc(C)cc3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K05 compound treatment 1.004 -0.0223 -0.65 0.996 -0.0318 -0.94 -1.1218 -0.9831 1566112 ChemDiv3_001633 COC(=O)COc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K06 compound treatment 1.015 -0.0113 -0.33 1.017 -0.0108 -0.32 -0.4575 -0.9999 3119991 ChemDiv3_001634 O=S(=O)(NCc1ccccc1)c2ccc3OCCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K07 compound treatment 1.012 -0.0143 -0.41 1.008 -0.0198 -0.59 -0.7071 -0.9854 1513154 ChemDiv3_001635 OC(=O)CN1C(=O)CC(Cc2ccc(Cl)cc2)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K08 compound treatment 1.017 -0.00929 -0.27 1.024 -0.00383 -0.11 -0.2702 -0.926 1680762 ChemDiv3_001636 COC(CN(C1CCCc2c1[nH]c3ccc(C)cc23)C(=O)C)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K09 compound treatment 1.025 -0.00129 -0.04 1.018 -0.00983 -0.29 -0.2318 -0.7913 1379664 ChemDiv3_001637 CCc1c(C)c(C#N)c2nc3ccccc3n2c1n4ccnc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K10 compound treatment 1.007 -0.0193 -0.56 1.004 -0.0238 -0.7 -0.8931 -0.9934 3119992 ChemDiv3_001638 CN(C)c1ccc(/C=C/C=C\2/SC(=S)N(C)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K11 compound treatment 1.025 -0.00129 -0.04 1.014 -0.0138 -0.41 -0.3154 -0.7683 3119993 ChemDiv3_001639 Cc1ccc(SCC/2=NN(C(=O)\C2=C\NCc3ccco3)c4nc5ccccc5s4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K12 compound treatment 0.958 -0.0683 -1.98 1.004 -0.0238 -0.7 -1.8965 -0.9034 3021376 ChemDiv3_001640 OC(=O)COc1ccc(/C=C\2/NC(=S)NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K13 compound treatment 1.045 0.0187 0.54 1.027 -8.28E-4 -0.02 0.3659 0.6745 3021377 ChemDiv3_001641 COc1ccc(cc1)C(=O)C(=C2Nc3ccccc3N2)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K14 compound treatment 0.982 -0.0443 -1.28 0.99 -0.0378 -1.12 -1.6977 -0.9977 3119994 ChemDiv3_001642 Oc1ccc2c(=O)c(c3ccc(Cl)cc3Cl)c(oc2c1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K15 compound treatment 1.026 -2.86E-4 -0.01 1.024 -0.00383 -0.11 -0.0859 -0.7568 1190196 ChemDiv3_001643 COc1cc(OC)cc(c1)c2nc3ccccc3c(=O)n2OC(=O)c4ccccc4Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K16 compound treatment 0.995 -0.0313 -0.91 1.001 -0.0268 -0.79 -1.2015 -0.9978 3021378 ChemDiv3_001644 O=C(CCN1C(=O)c2ccccc2C1=O)C(=C3Nc4ccccc4N3)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K17 compound treatment 1.166 0.14 4.05 1.15 0.122 3.61 5.4153 0.9984 1229182 ChemDiv3_001645 Cc1onc(c1C(=O)n2cnc3cc(C)c(C)cc23)c4ccccc4Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K18 compound treatment 1.025 -0.00129 -0.04 1.024 -0.00383 -0.11 -0.1064 -0.8927 1396504 ChemDiv3_001646 CCOC(=O)c1c(NC=O)scc1c2cccs2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K19 compound treatment 1.036 0.00971 0.28 1.032 0.00417 0.12 0.2862 0.9315 1614792 ChemDiv3_001647 COc1cc2ccccc2cc1C(=O)Nc3ccc4OCCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K20 compound treatment 1.025 -0.00129 -0.04 1.03 0.00217 0.06 0.0191 0.2571 3021379 ChemDiv3_001648 CN1C(=O)/C(=C\NN2CCOCC2)/c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K21 compound treatment 1.016 -0.0103 -0.3 1.005 -0.0228 -0.67 -0.6879 -0.9324 3120138 ChemDiv3_001649 CCN(CC)c1ccc(/C=C\2/C(=O)NN(C2=O)c3ccc(C)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K22 compound treatment 1.029 0.00271 0.08 1.028 1.72E-4 0.01 0.0592 0.7514 1271860 ChemDiv3_001650 O=c1n(cnc2sc3CCCCc3c12)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K23 mock treatment 1.029 0.00271 0.08 1.017 -0.0108 -0.32 -0.1708 -0.5181 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 K24 mock treatment 1.012 -0.0143 -0.41 1.014 -0.0138 -0.41 -0.5816 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L01 compound treatment 1.013 -0.0133 -0.38 1.018 -0.00983 -0.29 -0.4775 -0.9904 3120139 ChemDiv3_001651 CCOc1ccccc1/C=N\n2cnnc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L02 compound treatment 1.001 -0.0253 -0.73 1.005 -0.0228 -0.67 -0.9951 -0.9992 3120140 ChemDiv3_001652 COC(=O)c1ccccc1NC=C2C(=O)NC(=S)NC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L03 compound treatment 1.211 0.185 5.35 1.146 0.118 3.49 6.2532 0.9787 3021380 ChemDiv3_001653 Cc1ccc(cc1)N2CCN(CC2)/N=C\C=C\c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L04 compound treatment 1.027 7.14E-4 0.02 1.026 -0.00183 -0.05 -0.0236 -0.4076 3120141 ChemDiv3_001654 CCOc1ccc2n(C)/c(=N\C(=O)CCOc3ccccc3)/sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L05 compound treatment 0.862 -0.164 -4.76 0.854 -0.174 -5.14 -6.9984 -0.9993 1125649 ChemDiv3_001655 CNc1ccccc1C(=O)OCC(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L06 compound treatment 0.806 -0.22 -6.38 0.825 -0.203 -6.0 -8.7515 -0.9995 1333133 ChemDiv3_001656 Clc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L07 compound treatment 1.027 7.14E-4 0.02 1.028 1.72E-4 0.01 0.0182 0.8558 3021381 ChemDiv3_001657 CC(=O)N1N=C(N)SC21CCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L08 compound treatment 1.037 0.0107 0.31 1.024 -0.00383 -0.11 0.1394 0.422 3120142 ChemDiv3_001658 COc1cccc(/C=C/2\SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L09 compound treatment 1.006 -0.0203 -0.59 1.011 -0.0168 -0.5 -0.7672 -0.9966 1735087 ChemDiv3_001659 Cc1ccc(Cn2c(=N)n(CC(=O)O)c3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L10 compound treatment 1.031 0.00471 0.14 1.024 -0.00383 -0.11 0.0165 0.0932 1873281 ChemDiv3_001660 CCOC(=O)CSC1=C(C#N)C(C(C(=O)OC)C(=O)N1)c2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L11 compound treatment 1.039 0.0127 0.37 1.038 0.0102 0.3 0.473 0.995 3021382 ChemDiv3_001661 C=CCn1c2nc(cn2c3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L12 compound treatment 1.033 0.00671 0.19 1.024 -0.00383 -0.11 0.0575 0.2555 1591933 ChemDiv3_001662 Cc1[nH]c2ccccc2c1CN3CCC(Cc4ccccc4)CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L13 compound treatment 1.071 0.0447 1.29 1.063 0.0352 1.04 1.651 0.9941 1237818 ChemDiv3_001663 O=C(NCc1ccccc1)c2ccccc2NC(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L14 compound treatment 1.007 -0.0193 -0.56 1.003 -0.0248 -0.73 -0.914 -0.9909 1564490 ChemDiv3_001664 COc1ccc(C)cc1S(=O)(=O)N2CCN(C)CC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L15 compound treatment 1.026 -2.86E-4 -0.01 1.026 -0.00183 -0.05 -0.0441 -0.806 1447061 ChemDiv3_001665 COc1ccc(OC)c(Nc2nc3nonc3nc2N4CCC(C)CC4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L16 compound treatment 0.992 -0.0343 -0.99 0.983 -0.0448 -1.33 -1.6393 -0.9899 1193553 ChemDiv3_001666 CC(C)c1cc(NS(=O)(=O)c2ccccc2)c(O)c(c1)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L17 compound treatment 1.042 0.0157 0.46 1.047 0.0192 0.57 0.7226 0.9941 1642809 ChemDiv3_001667 O=C(OCc1nc2ccccc2[nH]1)C3(CC4CC5CC(C4)C3)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L18 compound treatment 1.089 0.0627 1.82 1.071 0.0432 1.28 2.1869 0.9851 3021383 ChemDiv3_001668 CCOC(=O)c1s/c(=N\C(=O)c2ccc(OCC)cc2)/n(C)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L19 compound treatment 1.025 -0.00129 -0.04 1.027 -8.28E-4 -0.02 -0.0436 -0.9793 3120143 ChemDiv3_001669 COc1ccccc1NC(=O)c2cc3ccccc3c(/C=N/c4ccc(NC(=O)C)cc4)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L20 compound treatment 1.024 -0.00229 -0.07 1.02 -0.00783 -0.23 -0.2105 -0.8743 1201425 ChemDiv3_001670 COc1ccc(CC(=O)Nc2c3CSCc3nn2c4ccc(C)cc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L21 compound treatment 1.007 -0.0193 -0.56 1.016 -0.0118 -0.35 -0.6422 -0.9746 3120144 ChemDiv3_001671 O=C(CCCN1C(=O)/C(=C/c2cccs2)/SC1=S)N3c4ccccc4Sc5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L22 compound treatment 1.086 0.0597 1.73 1.093 0.0652 1.93 2.5854 0.9985 3021384 ChemDiv3_001672 Cc1cccc(NC(=S)NCCCN2CCOCC2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L23 mock treatment 1.024 -0.00229 -0.07 1.021 -0.00683 -0.2 -0.1895 -0.8922 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 L24 mock treatment 1.051 0.0247 0.72 1.054 0.0262 0.77 1.0533 0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M01 compound treatment 1.008 -0.0183 -0.53 1.005 -0.0228 -0.67 -0.8517 -0.9928 1915602 ChemDiv3_001673 CC(C)c1ccc(cc1)S(=O)(=O)CCc2ccc(C)[n+](C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M02 compound treatment 0.997 -0.0293 -0.85 1.003 -0.0248 -0.73 -1.1188 -0.9974 3120145 ChemDiv3_001674 CC(C)(C)C(=O)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M03 compound treatment 0.994 -0.0323 -0.94 0.99 -0.0378 -1.12 -1.452 -0.996 1626138 ChemDiv3_001675 CC(=C1C(=O)CC(C)(C)CC1=O)NCC2CCNCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M04 compound treatment 0.994 -0.0323 -0.94 0.996 -0.0318 -0.94 -1.3266 -1.0 3021385 ChemDiv3_001676 CC1CCCCN1C(=O)c2cc3nc(cc(n3n2)C(F)(F)F)c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M05 compound treatment 0.985 -0.0413 -1.2 0.99 -0.0378 -1.12 -1.6363 -0.9994 3120146 ChemDiv3_001677 CC(C)(C)c1cc(/C=C/2\SC(=S)NC2=O)cc(c1O)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M06 compound treatment 0.992 -0.0343 -0.99 0.994 -0.0338 -1.0 -1.4093 -1.0 1369956 ChemDiv3_001678 OC(=O)c1ccccc1C(=O)Nc2ccc3OCCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M07 compound treatment 0.995 -0.0313 -0.91 0.993 -0.0348 -1.03 -1.3688 -0.998 3021386 ChemDiv3_001679 CC(C(Cc1cc(C)cc(C)c1)C(=O)O)C(=O)Nc2cccc(c2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M08 compound treatment 0.898 -0.128 -3.72 0.912 -0.116 -3.42 -5.0486 -0.9992 1367959 ChemDiv3_001680 CCOC(=O)c1c(C)sc2Sc3ccc(Cl)cc3Nc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M09 compound treatment 1.025 -0.00129 -0.04 1.012 -0.0158 -0.47 -0.3572 -0.761 1584915 ChemDiv3_001681 CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M10 compound treatment 0.987 -0.0393 -1.14 0.985 -0.0428 -1.27 -1.6999 -0.9986 3120147 ChemDiv3_001682 CN1C(=O)/C(=C\c2ccc(o2)c3ccc(C)c(Cl)c3)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M11 compound treatment 0.993 -0.0333 -0.96 0.989 -0.0388 -1.15 -1.4934 -0.9962 1579702 ChemDiv3_001683 CCC(=O)N1C(C2=C(CC(CC2=O)c3ccccc3)Nc4ccccc14)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M12 compound treatment 0.99 -0.0363 -1.05 0.991 -0.0368 -1.09 -1.513 -0.9998 1133651 ChemDiv3_001684 C(Cc1cccs1)Nc2ncnc3sc4CCCc4c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M13 compound treatment 1.008 -0.0183 -0.53 0.994 -0.0338 -1.0 -1.0817 -0.9558 3120148 ChemDiv3_001685 O=C(COc1ccccc1)C(=C2Nc3ccccc3N2)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M14 compound treatment 1.0 -0.0263 -0.76 1.009 -0.0188 -0.56 -0.9319 -0.9882 3021387 ChemDiv3_001686 OC(=O)c1ccc(/N=C/2\SC(Cc3cccc(Cl)c3)C(=O)N2CC=C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M15 compound treatment 0.999 -0.0273 -0.79 0.992 -0.0358 -1.06 -1.3078 -0.9896 1726607 ChemDiv3_001687 Cc1cccc(c1)c2nc3ccccc3c(=O)n2OC(=O)c4ccc(C)c(C)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M16 compound treatment 1.008 -0.0183 -0.53 1.005 -0.0228 -0.67 -0.8517 -0.9928 3120149 ChemDiv3_001688 CC1CN(CC(C)O1)C(=O)c2sc3cc(C)ccc3c2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M17 compound treatment 1.021 -0.00529 -0.15 1.015 -0.0128 -0.38 -0.3764 -0.9204 1427209 ChemDiv3_001689 CC(C)CCNC(=O)C1c2ccccc2Oc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M18 compound treatment 1.001 -0.0253 -0.73 1.009 -0.0188 -0.56 -0.9114 -0.9908 1691429 ChemDiv3_001690 CCOC(=O)c1c(C)c(C)sc1NC(=O)CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M19 compound treatment 1.003 -0.0233 -0.67 0.991 -0.0368 -1.09 -1.2468 -0.9735 1389933 ChemDiv3_001691 Cc1ccc2cc(C(=O)N)c(=N)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M20 compound treatment 0.992 -0.0343 -0.99 0.998 -0.0298 -0.88 -1.3257 -0.9983 3120150 ChemDiv3_001692 CCOC(=O)c1c(N/C=C\2/C(=O)N(C)c3ccccc23)sc4CCCc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M21 compound treatment 0.983 -0.0433 -1.25 0.985 -0.0428 -1.27 -1.7818 -1.0 3021478 ChemDiv3_001693 CC/1=NN(C(=O)\C1=C\c2ccc(o2)c3cccc(Cl)c3C)c4cccc(c4)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M22 compound treatment 0.973 -0.0533 -1.54 0.981 -0.0468 -1.38 -2.0702 -0.9985 3120151 ChemDiv3_001694 Cc1cccc(OCCOc2ccc(Br)cc2/C=C/3\SC(=S)NC3=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M23 mock treatment 1.114 0.0877 2.54 1.116 0.0882 2.61 3.6396 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 M24 mock treatment 0.997 -0.0293 -0.85 1.0 -0.0278 -0.82 -1.1815 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N01 compound treatment 1.004 -0.0223 -0.65 1.0 -0.0278 -0.82 -1.0382 -0.9928 3021479 ChemDiv3_001695 C(=N/n1cnnc1)\c2cccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N02 compound treatment 0.992 -0.0343 -0.99 0.992 -0.0358 -1.06 -1.4511 -0.9995 3118032 ChemDiv3_001696 COc1ccc(cc1)n2nc3CSCc3c2NC(=O)c4ccccc4C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N03 compound treatment 1.087 0.0607 1.76 1.059 0.0312 0.92 1.895 0.9546 3021480 ChemDiv3_001697 Clc1ccccc1CN2CCN(CC2)/N=C/C=C\c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N04 compound treatment 1.008 -0.0183 -0.53 0.997 -0.0308 -0.91 -1.019 -0.9666 3117871 ChemDiv3_001698 Cn1/c(=N\C(=O)CCOc2ccccc2)/sc3cc(Br)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N05 compound treatment 0.698 -0.328 -9.51 0.751 -0.277 -8.18 -12.5102 -0.9972 1590935 ChemDiv3_001699 CCC(=O)c1ccc(OC(=O)C2c3ccccc3Oc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N06 compound treatment 1.002 -0.0243 -0.7 0.993 -0.0348 -1.03 -1.2255 -0.9827 1201811 ChemDiv3_001700 Cc1cccc(COc2ccc3c(C)cc(=O)oc3c2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N07 compound treatment 1.038 0.0117 0.34 1.036 0.00817 0.24 0.4107 0.9862 1923213 ChemDiv3_001701 OCCN1CCN(CC#CCn2c3ccccc3c4ccccc24)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N08 compound treatment 1.065 0.0387 1.12 1.056 0.0282 0.83 1.3818 0.9893 1578316 ChemDiv3_001702 O=C(CC(C1CCCCC1=O)c2ccco2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N09 compound treatment 1.013 -0.0133 -0.38 1.013 -0.0148 -0.44 -0.5821 -0.9979 1582025 ChemDiv3_001703 CCN(CC)CCCn1c(cn2c1nc3ccccc32)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N10 compound treatment 0.998 -0.0283 -0.82 0.992 -0.0358 -1.06 -1.3283 -0.9919 1873341 ChemDiv3_001704 COC(=O)C1C(C(=C(NC1=O)SCC=C)C#N)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N11 compound treatment 1.041 0.0147 0.43 1.033 0.00517 0.15 0.4095 0.9044 1619409 ChemDiv3_001705 OCCn1c(=N)n(CC=C)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N12 compound treatment 1.002 -0.0243 -0.7 0.996 -0.0318 -0.94 -1.1627 -0.9897 1130658 ChemDiv3_001706 O=c1c2ccccc2nc3c4ccccc4c(nn13)N5CCOCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N13 compound treatment 1.159 0.133 3.84 1.167 0.139 4.11 5.6274 0.9994 1508826 ChemDiv3_001707 CCOC(=O)c1c(C)nn(Cc2cccc(Cl)c2)c1N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N14 compound treatment 1.004 -0.0223 -0.65 1.011 -0.0168 -0.5 -0.8082 -0.9917 1777814 ChemDiv3_001708 C/C(=C(\C#N)/c1nc2ccccc2[nH]1)/O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N15 compound treatment 1.058 0.0317 0.92 1.061 0.0332 0.98 1.343 0.9995 1709331 ChemDiv3_001709 Cn1c(Sc2nnc(N)s2)nc3n(C)c(=O)n(C)c(=O)c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N16 compound treatment 1.052 0.0257 0.74 1.052 0.0242 0.71 1.0319 0.9998 3117873 ChemDiv3_001710 COc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N/Cc4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N17 compound treatment 1.032 0.00571 0.17 1.039 0.0112 0.33 0.3506 0.9489 3117874 ChemDiv3_001711 COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N18 compound treatment 0.995 -0.0313 -0.91 0.989 -0.0388 -1.15 -1.4524 -0.9931 3021481 ChemDiv3_001712 CCOc1ccc2n(C)/c(=N\C(=O)c3ccc(cc3)S(=O)(=O)N4CCc5ccccc45)/sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N19 compound treatment 1.001 -0.0253 -0.73 1.002 -0.0258 -0.76 -1.0578 -0.9998 3117875 ChemDiv3_001713 CCCN1C/C(=C\c2ccc(OC)cc2)/C(=O)\C(=C/c3ccc(OC)cc3)\C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N20 compound treatment 1.03 0.00371 0.11 1.021 -0.00683 -0.2 -0.0667 -0.2915 1525047 ChemDiv3_001714 Cc1ccc(c(C)c1)n2nc3CSCc3c2NC(=O)COc4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N21 compound treatment 1.022 -0.00429 -0.12 1.024 -0.00383 -0.11 -0.1678 -0.9989 3021482 ChemDiv3_001715 Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(F)cc3)/S2)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N22 compound treatment 0.972 -0.0543 -1.57 0.963 -0.0648 -1.92 -2.467 -0.9952 1667814 ChemDiv3_001716 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)N4CCc5ccccc5C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N23 mock treatment 1.009 -0.0173 -0.5 1.004 -0.0238 -0.7 -0.8521 -0.986 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 N24 mock treatment 1.118 0.0917 2.66 1.117 0.0892 2.64 3.7424 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O01 compound treatment 1.026 -2.86E-4 -0.01 1.021 -0.00683 -0.2 -0.1486 -0.7355 3021483 ChemDiv3_001717 OC(=O)C/1=NN(C(=O)\C1=C\c2cccs2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O02 compound treatment 1.03 0.00371 0.11 1.032 0.00417 0.12 0.1633 0.9977 3117876 ChemDiv3_001718 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc3ccc(cc3)C(C)CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O03 compound treatment 1.226 0.2 5.78 1.215 0.187 5.53 8.0029 0.9998 3021484 ChemDiv3_001719 CC1(C)CC(=O)C=C(C1)NCCCn2ccnc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O04 compound treatment 1.054 0.0277 0.8 1.048 0.0202 0.6 0.9893 0.9893 3117877 ChemDiv3_001720 CC(C)NC(=O)c1cc2NC(CC(n2n1)C(F)(F)F)c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O05 compound treatment 1.022 -0.00429 -0.12 1.018 -0.00983 -0.29 -0.2932 -0.928 3021485 ChemDiv3_001721 CCOc1cc(/C=c\2/sc3nc4ccccc4n3c2=O)ccc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O06 compound treatment 1.134 0.108 3.12 1.092 0.0642 1.9 3.5474 0.9716 3117878 ChemDiv3_001722 CC(C)(C)C(O)(CC#CCN1CCCC1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O07 compound treatment 1.133 0.107 3.09 1.12 0.0922 2.73 4.1123 0.998 1383847 ChemDiv3_001723 CCOc1ccc(NC(=O)C(C)C(Cc2ccc(C)cc2)C(=O)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O08 compound treatment 0.976 -0.0503 -1.46 0.979 -0.0488 -1.44 -2.0506 -1.0 1624938 ChemDiv3_001724 O=C1CCCN1CCNC(=S)Nc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O09 compound treatment 1.116 0.0897 2.6 1.107 0.0792 2.34 3.4924 0.9986 1249695 ChemDiv3_001725 CCC1(CC)Cc2ccccc2-c3[nH]c(=S)n(Cc4ccccc4)c(=O)c31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O10 compound treatment 1.036 0.00971 0.28 1.032 0.00417 0.12 0.2862 0.9315 3117879 ChemDiv3_001726 CN1C(=O)/C(=C\c2ccncc2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O11 compound treatment 1.034 0.00771 0.22 1.036 0.00817 0.24 0.3288 0.9992 1610336 ChemDiv3_001727 CC(=O)Nc1ncc2C(=O)CC(Cc2n1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O12 compound treatment 1.019 -0.00729 -0.21 1.022 -0.00583 -0.17 -0.271 -0.9949 1305118 ChemDiv3_001728 CCOc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O13 compound treatment 1.031 0.00471 0.14 1.03 0.00217 0.06 0.142 0.9408 3117880 ChemDiv3_001729 CC(N1C(=O)c2ccccc2C1=O)C(=O)C(=C3Nc4ccccc4N3)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O14 compound treatment 1.008 -0.0183 -0.53 1.01 -0.0178 -0.53 -0.7472 -1.0 3021518 ChemDiv3_001730 Cc1ccc(cc1)n/2c(cs\c2=N\C(=O)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O15 compound treatment 1.097 0.0707 2.05 1.085 0.0572 1.69 2.6434 0.9955 1281278 ChemDiv3_001731 Clc1c(cnn(c2ccccc2)c1=O)N3CCN(CC3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O16 compound treatment 1.029 0.00271 0.08 1.031 0.00317 0.09 0.1219 0.9961 3021519 ChemDiv3_001732 COc1ccc(N/C=C\2/Sc3ccccc3C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O17 compound treatment 1.038 0.0117 0.34 1.041 0.0132 0.39 0.5153 0.9976 1330175 ChemDiv3_001733 CCC(C)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O18 compound treatment 1.009 -0.0173 -0.5 1.009 -0.0188 -0.56 -0.7476 -0.9986 1220991 ChemDiv3_001734 CCOC(=O)c1c(CC(C)C)csc1NC(=O)c2ccccc2OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O19 compound treatment 1.043 0.0167 0.48 1.04 0.0122 0.36 0.5968 0.9893 3117881 ChemDiv3_001735 N/C(=N\O)/CCCN1CCCCC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O20 compound treatment 1.041 0.0147 0.43 1.041 0.0132 0.39 0.5767 0.999 3117882 ChemDiv3_001736 CCOC(=O)c1c(C)c(C)sc1N/C=C\2/C(=O)N(C)c3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O21 compound treatment 1.04 0.0137 0.4 1.039 0.0112 0.33 0.5144 0.9958 1915686 ChemDiv3_001737 O=C(CSc1nnnn1c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O22 compound treatment 1.045 0.0187 0.54 1.044 0.0162 0.48 0.7213 0.998 3021520 ChemDiv3_001738 Cc1nnc(C)n1/N=C\c2cccc(OCc3ccccc3)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O23 mock treatment 1.265 0.239 6.91 1.318 0.29 8.58 10.955 0.9943 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 O24 mock treatment 1.018 -0.00829 -0.24 1.026 -0.00183 -0.05 -0.2079 -0.8452 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P01 compound treatment 1.011 -0.0153 -0.44 1.011 -0.0168 -0.5 -0.6648 -0.9983 3021521 ChemDiv3_001739 C(=N/n1cnnc1)\c2cccs2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P02 compound treatment 1.034 0.00771 0.22 1.024 -0.00383 -0.11 0.078 0.3113 1680808 ChemDiv3_001740 CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc(C)cc3C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P03 compound treatment 1.036 0.00971 0.28 1.025 -0.00283 -0.08 0.1398 0.4764 3021522 ChemDiv3_001741 Cc1nnc(C)n1/N=C/c2cc(Br)cc(Br)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P04 compound treatment 1.034 0.00771 0.22 1.012 -0.0158 -0.47 -0.1729 -0.3335 3117883 ChemDiv3_001742 O=C(CN1C(=O)/C(=C/c2ccccc2)/SC1=S)NC3CCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P05 compound treatment 1.069 0.0427 1.24 1.06 0.0322 0.95 1.5473 0.9916 1137126 ChemDiv3_001743 Cc1cc(C)c(C)c(C(=O)COC(=O)c2cc(O)nc3ccccc23)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P06 compound treatment 1.046 0.0197 0.57 1.05 0.0222 0.66 0.8673 0.9976 1455967 ChemDiv3_001744 CCCc1cc(=O)oc2cc(OCC(=O)OCc3ccccc3)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P07 compound treatment 1.026 -2.86E-4 -0.01 1.041 0.0132 0.39 0.2695 0.6919 1311949 ChemDiv3_001745 OC(CN1CCCCC1)CN2c3ccccc3Sc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P08 compound treatment 1.068 0.0417 1.21 1.058 0.0302 0.89 1.485 0.9889 3021523 ChemDiv3_001746 CN1/C(=C\C=C/2\C(=O)Oc3ccccc3C2=O)/C(C)(C)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P09 compound treatment 1.016 -0.0103 -0.3 1.021 -0.00683 -0.2 -0.3534 -0.982 3117884 ChemDiv3_001747 Clc1ccc(cc1)c2cn3c(nc4ccccc43)n2CCCNC5CCCCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P10 compound treatment 1.104 0.0777 2.25 1.091 0.0632 1.87 2.9122 0.9957 3021524 ChemDiv3_001748 Cc1cccn2c(=O)c(/C=N/O)c(nc12)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P11 compound treatment 1.042 0.0157 0.46 1.044 0.0162 0.48 0.6599 0.9997 1157071 ChemDiv3_001749 OCCn1c(=N)n(Cc2ccc(Cl)cc2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P12 compound treatment 1.025 -0.00129 -0.04 1.025 -0.00283 -0.08 -0.0854 -0.9336 3117885 ChemDiv3_001750 Cc1ccc(cc1)c2cnc(o2)c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P13 compound treatment 1.353 0.327 9.46 1.329 0.301 8.9 12.987 0.9995 3021525 ChemDiv3_001751 C=CCn1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P14 compound treatment 1.019 -0.00729 -0.21 1.02 -0.00783 -0.23 -0.3128 -0.9989 3117886 ChemDiv3_001752 O/C(=C(/C#N)\c1nc2ccccc2[nH]1)/C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P15 compound treatment 1.007 -0.0193 -0.56 1.009 -0.0188 -0.56 -0.7886 -1.0 1689476 ChemDiv3_001753 Cn1c(CCN)nc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P16 compound treatment 1.053 0.0267 0.77 1.049 0.0212 0.63 0.9897 0.9945 3118033 ChemDiv3_001754 CCN(CC)c1nc2c(C)cccn2c(=O)c1C=C3C(=O)NC(=O)NC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P17 compound treatment 1.105 0.0787 2.28 1.118 0.0902 2.67 3.4971 0.997 1463531 ChemDiv3_001755 CCc1ccc(OCC(=O)Nc2sc3CCCCc3c2C(=O)OC)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P18 compound treatment 1.068 0.0417 1.21 1.072 0.0442 1.31 1.7777 0.9992 1302503 ChemDiv3_001756 Cc1nc2c(ccc3nc(NC(=O)c4cccc(Oc5ccccc5)c4)sc32)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P19 compound treatment 1.016 -0.0103 -0.3 1.013 -0.0148 -0.44 -0.5206 -0.9823 3118034 ChemDiv3_001757 CCC(=O)N1N=C(CC1c2ccc(cc2)N(C)C)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P20 compound treatment 1.025 -0.00129 -0.04 1.034 0.00617 0.18 0.1027 0.5515 1354491 ChemDiv3_001758 O=C(Nc1c2CSCc2nn1c3ccc(Oc4ccccc4)cc3)c5ccco5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P21 compound treatment 1.011 -0.0153 -0.44 1.007 -0.0208 -0.62 -0.7485 -0.9869 3118035 ChemDiv3_001759 Cc1cccc(NC2=NC(=O)/C(=C\3/C(=O)N(CC(=O)O)c4ccccc34)/S2)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P22 compound treatment 1.03 0.00371 0.11 1.039 0.0112 0.33 0.3096 0.8913 3021526 ChemDiv3_001760 CCC(C)(C)n1c(=O)[nH]c2CCCc2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P23 mock treatment 1.027 7.14E-4 0.02 1.024 -0.00383 -0.11 -0.0654 -0.5684 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2005 P24 mock treatment 1.046 0.0197 0.57 1.05 0.0222 0.66 0.8673 0.9976 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A01 compound treatment 0.999 -0.0223 -0.65 1.019 -0.00445 -0.13 -0.5502 -0.834 1658490 ChemDiv3_001761 Cc1cc(=O)[nH]c(Nc2ccccc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A02 compound treatment 0.999 -0.0223 -0.65 0.994 -0.0295 -0.87 -1.0729 -0.9892 1465213 ChemDiv3_001762 CCOc1ccc2nc(Nc3nc(O)cc(O)n3)nc(C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A03 compound treatment 0.999 -0.0223 -0.65 0.994 -0.0295 -0.87 -1.0729 -0.9892 3118036 ChemDiv3_001763 COc1cccc2s/c(=N/C(=O)Cc3cccc4ccccc34)/n(C)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A04 compound treatment 1.045 0.0237 0.69 1.039 0.0155 0.46 0.8099 0.9811 3118037 ChemDiv3_001764 NC1=NC(=O)CC(S1)C(=O)Nc2ccc(Br)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A05 compound treatment 1.031 0.00968 0.28 1.014 -0.00945 -0.28 6.0E-4 0.0015 1135271 ChemDiv3_001765 Oc1cc(Cc2nc3ccccc3s2)c(O)cc1Cc4nc5ccccc5s4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A06 compound treatment 1.001 -0.0203 -0.59 0.992 -0.0315 -0.93 -1.0737 -0.9757 1132838 ChemDiv3_001766 O=C(CSC#N)n1c2ccccc2c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A07 compound treatment 1.016 -0.00532 -0.15 0.976 -0.0475 -1.4 -1.101 -0.7801 3118038 ChemDiv3_001767 O=S(=O)(/N=C(/NC(=S)OC1CCCCC1)\c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A08 compound treatment 0.999 -0.0223 -0.65 1.02 -0.00345 -0.1 -0.5293 -0.8087 3021527 ChemDiv3_001768 CC(C)COc1ccc(cc1)C(=S)N2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A09 compound treatment 1.021 -3.23E-4 -0.01 1.013 -0.0105 -0.31 -0.2251 -0.7282 3021563 ChemDiv3_001769 COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N(C)CCO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A10 compound treatment 0.894 -0.127 -3.69 0.904 -0.119 -3.53 -5.1047 -0.9998 3021564 ChemDiv3_001770 Cc1cc(C(=O)O)c(=O)[nH]c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A11 compound treatment 1.004 -0.0173 -0.5 1.005 -0.0185 -0.55 -0.7405 -0.9991 1689022 ChemDiv3_001771 Cc1ccc2n(CC(O)CNCc3ccco3)c(c(c4ccccc4)c2c1)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A12 compound treatment 1.001 -0.0203 -0.59 1.0 -0.0235 -0.69 -0.9065 -0.9967 3118039 ChemDiv3_001772 NNC(=O)CN1C(c2ccccc2)c3cc(Cl)ccc3N=C1c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A13 compound treatment 0.921 -0.1 -2.91 0.911 -0.112 -3.32 -4.4054 -0.9977 1296978 ChemDiv3_001773 C=CCNC(=O)c1cc2ccccc2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A14 compound treatment 0.991 -0.0303 -0.88 0.995 -0.0285 -0.84 -1.2158 -0.9998 3021565 ChemDiv3_001774 CCOC(=O)/C(=C/1\Nc2ccccc2C1=O)/C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A15 compound treatment 1.099 0.0777 2.25 1.093 0.0695 2.06 3.0447 0.999 1549910 ChemDiv3_001775 CC(=O)Nc1ccc(NC(=O)C2(CCCC2)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A16 compound treatment 0.987 -0.0343 -0.99 0.991 -0.0325 -0.96 -1.3813 -0.9998 3021566 ChemDiv3_001776 Clc1ccc(cc1)N2C(=O)C3CC=CCC3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A17 compound treatment 1.01 -0.0113 -0.33 0.997 -0.0265 -0.78 -0.7849 -0.9255 3118040 ChemDiv3_001777 NC(=O)/C(=C/c1ccc2OCOc2c1)/NC(=O)c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A18 compound treatment 1.004 -0.0173 -0.5 1.007 -0.0165 -0.49 -0.6987 -0.9999 3021567 ChemDiv3_001778 O=C1C=C(N2CCOCC2)C(=O)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A19 compound treatment 1.008 -0.0133 -0.39 1.008 -0.0155 -0.46 -0.5959 -0.9965 1179633 ChemDiv3_001779 COc1cc(CN2CCN(CC2)C(=O)COc3ccccc3)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A20 compound treatment 1.025 0.00368 0.11 1.051 0.0275 0.81 0.6512 0.7928 3118041 ChemDiv3_001780 CC(C)(C)c1n[nH]c2OC(=C(C#N)C(c12)c3ccc(OC(=O)c4ccccc4Cl)cc3)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A21 compound treatment 1.044 0.0227 0.66 1.037 0.0135 0.4 0.7476 0.9719 3021568 ChemDiv3_001781 Cc1ccc(cc1)C2C3=C(NC4=C2C(=O)CC(C)(C)C4)c5ccccc5C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A22 compound treatment 0.995 -0.0263 -0.76 0.993 -0.0305 -0.9 -1.1757 -0.9966 3118042 ChemDiv3_001782 COc1cccc(c1)N2C(=O)/C(=C/c3ccsc3)/C(=O)NC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A23 mock treatment 1.016 -0.00532 -0.15 1.002 -0.0215 -0.63 -0.5575 -0.8541 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 A24 mock treatment 1.006 -0.0153 -0.44 1.0 -0.0235 -0.69 -0.8041 -0.9767 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B01 compound treatment 0.991 -0.0303 -0.88 0.987 -0.0365 -1.08 -1.383 -0.9948 1408187 ChemDiv3_001783 Cc1ccc(NC(=O)CSc2nnc(s2)N3C(=O)c4ccccc4C3=O)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B02 compound treatment 0.996 -0.0253 -0.73 1.014 -0.00945 -0.28 -0.7162 -0.9125 1465544 ChemDiv3_001784 S=C(Nc1ccccc1)N2CCC(=N2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B03 compound treatment 1.011 -0.0103 -0.3 1.005 -0.0185 -0.55 -0.5971 -0.9599 3118043 ChemDiv3_001785 Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cccc(O)c3)/C2=O)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B04 compound treatment 0.996 -0.0253 -0.73 1.009 -0.0145 -0.43 -0.8207 -0.9669 1229641 ChemDiv3_001786 CCOC(=O)C(Cc1ccccc1)C(=O)Nc2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B05 compound treatment 1.007 -0.0143 -0.41 0.988 -0.0355 -1.05 -1.0345 -0.9177 3021569 ChemDiv3_001787 CCN1C(=O)C(=Cc2ccc(o2)c3ccccc3F)C(=O)N(CC)C1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B06 compound treatment 1.0 -0.0213 -0.62 0.98 -0.0435 -1.28 -1.3451 -0.9436 1193124 ChemDiv3_001788 Cc1oc2ccc(O)cc2c1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B07 compound treatment 1.05 0.0287 0.83 1.037 0.0135 0.4 0.8705 0.9441 3021570 ChemDiv3_001789 CC(C)(C)N(CCO)C(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B08 compound treatment 0.999 -0.0223 -0.65 0.997 -0.0265 -0.78 -1.0101 -0.9955 1231195 ChemDiv3_001790 COC(=O)COc1cccc2c1ccc3c4CCCCc4c(=O)oc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B09 compound treatment 1.013 -0.00832 -0.24 0.986 -0.0375 -1.11 -0.9534 -0.8413 3118044 ChemDiv3_001791 CCCCn1c-2c(CCc3nonc32)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B10 compound treatment 0.999 -0.0223 -0.65 1.001 -0.0225 -0.66 -0.9265 -0.9999 1442608 ChemDiv3_001792 COc1ccc(cc1OC)C2CC(=O)c3cnc(N)nc3C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B11 compound treatment 0.993 -0.0283 -0.82 0.987 -0.0365 -1.08 -1.3421 -0.9909 1122476 ChemDiv3_001793 Clc1ccc(cc1)c2nc(N3CCCCC3)c4ccccc4n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B12 compound treatment 1.008 -0.0133 -0.39 0.984 -0.0395 -1.17 -1.0976 -0.8934 3118045 ChemDiv3_001794 CN1C(=O)/C(=C/2\SC(=S)N(C3CCS(=O)(=O)C3)C2=O)/c4cc(Br)ccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B13 compound treatment 0.97 -0.0513 -1.49 0.987 -0.0365 -1.08 -1.8131 -0.9875 1382733 ChemDiv3_001795 Oc1ccc(I)nc1CCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B14 compound treatment 0.993 -0.0283 -0.82 0.99 -0.0335 -0.99 -1.2794 -0.9957 1453546 ChemDiv3_001796 CN(C)c1ccc(cc1)N2C(=O)C3CC(=C(C)CC3C2=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B15 compound treatment 0.989 -0.0323 -0.94 0.989 -0.0345 -1.02 -1.3822 -0.9991 1593282 ChemDiv3_001797 COc1ccc2N(C(=O)Nc3ccc(Cl)cc3)C(C)(C)CC(C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B16 compound treatment 0.973 -0.0483 -1.4 0.982 -0.0415 -1.23 -1.8562 -0.9978 3021571 ChemDiv3_001798 CCCCC1(C)OC(=O)C(=Cc2ccc(SC)cc2)C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B17 compound treatment 1.066 0.0447 1.29 1.064 0.0405 1.2 1.7626 0.9993 1026532 ChemDiv3_001799 Cc1ccc(cc1)C(=O)N2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B18 compound treatment 1.011 -0.0103 -0.3 0.988 -0.0355 -1.05 -0.9526 -0.8739 3021572 ChemDiv3_001800 O=C1C=CC2(CC3(CCCCC3)N=C2SCc4ccccc4)C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B19 compound treatment 1.016 -0.00532 -0.15 1.016 -0.00745 -0.22 -0.2648 -0.9847 1698847 ChemDiv3_001801 O=c1n(Cc2ccccc2)c(=S)[nH]c3sc4CCCCCc4c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B20 compound treatment 0.988 -0.0333 -0.97 0.995 -0.0285 -0.84 -1.2772 -0.9977 1202827 ChemDiv3_001802 Cc1nc2ccccc2c(=O)n1NCc3ccccc3Br 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B21 compound treatment 1.023 0.00168 0.05 1.015 -0.00845 -0.25 -0.1423 -0.5592 1391827 ChemDiv3_001803 CNC(=O)c1c(c2ccccc2)c3cc(OC)ccc3n1CCN(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B22 compound treatment 0.999 -0.0223 -0.65 1.0 -0.0235 -0.69 -0.9474 -0.9994 3118046 ChemDiv3_001804 CCOC(=O)c1c(C)oc2ccc(OCC)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B23 mock treatment 1.005 -0.0163 -0.47 1.012 -0.0115 -0.34 -0.5737 -0.9866 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 B24 mock treatment 1.022 6.77E-4 0.02 1.033 0.00955 0.28 0.2135 0.7544 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C01 compound treatment 1.031 0.00968 0.28 1.032 0.00855 0.25 0.3769 0.9987 3118047 ChemDiv3_001805 COc1ccc(cc1OC)C(CC(=O)c2ccco2)Sc3cccc4cccnc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C02 compound treatment 1.02 -0.00132 -0.04 1.033 0.00955 0.28 0.1725 0.6056 1315783 ChemDiv3_001806 Cn1ccnc1SCC(=O)N2c3ccccc3C(C)(CC2(C)C)c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C03 compound treatment 1.028 0.00668 0.19 1.016 -0.00745 -0.22 -0.019 -0.065 3118179 ChemDiv3_001807 COc1cccc2s/c(=N/C(=O)COc3ccc(Cl)cc3Cl)/n(C)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C04 compound treatment 1.028 0.00668 0.19 1.036 0.0125 0.37 0.3991 0.9539 3021573 ChemDiv3_001808 CCOC(=O)CCSc1nc(C)c2ccccc2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C05 compound treatment 1.027 0.00568 0.16 1.014 -0.00945 -0.28 -0.0813 -0.2509 1356071 ChemDiv3_001809 CP(=O)(O)c1nccn1c2ccc(Cl)nn2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C06 compound treatment 1.018 -0.00332 -0.1 1.01 -0.0135 -0.4 -0.3493 -0.8536 3118180 ChemDiv3_001810 COCc1cc(=O)nc(Sc2c(O)nc3cc(Cl)ccc3c2c4ccccc4)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C07 compound treatment 1.027 0.00568 0.16 1.03 0.00655 0.19 0.2532 0.9967 3021574 ChemDiv3_001811 Cc1n(C)c2ccccc2[n+]1CC(=O)c3ccc(F)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C08 compound treatment 1.026 0.00468 0.14 1.026 0.00255 0.08 0.1491 0.9617 1515483 ChemDiv3_001812 S=C(N1CCCCC1)c2cccc(OCc3ccccc3)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C09 compound treatment 1.053 0.0317 0.92 1.035 0.0115 0.34 0.8901 0.9093 1633788 ChemDiv3_001813 COc1ccc(cc1OC)C2CC(=O)n3nc(nc3S2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C10 compound treatment 1.032 0.0107 0.31 1.007 -0.0165 -0.49 -0.1253 -0.2174 3118181 ChemDiv3_001814 C/C(=C\C=C\c1ccccc1)/C(=O)c2c(C)cc(C)[nH]c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C11 compound treatment 1.017 -0.00432 -0.13 1.023 -4.52E-4 -0.01 -0.098 -0.7781 1558595 ChemDiv3_001815 Cc1ccc2n(CC(O)Cn3c(C)cc(C)nc3=O)c(c(c4ccccc4)c2c1)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C12 compound treatment 1.028 0.00668 0.19 1.023 -4.52E-4 -0.01 0.1273 0.6567 3021616 ChemDiv3_001816 COC(=O)CN1C(c2ccccc2)c3cc(Cl)ccc3N=C1c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C13 compound treatment 1.019 -0.00232 -0.07 1.023 -4.52E-4 -0.01 -0.057 -0.8313 1164199 ChemDiv3_001817 COc1ccc(CNc2ncn[nH]2)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C14 compound treatment 1.008 -0.0133 -0.39 1.008 -0.0155 -0.46 -0.5959 -0.9965 1183780 ChemDiv3_001818 Cc1ccc(cc1C)C(=O)c2cc(F)c(cc2Cl)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C15 compound treatment 1.051 0.0297 0.86 1.043 0.0195 0.58 1.0164 0.9814 1590710 ChemDiv3_001819 Clc1ccccc1C(=O)NCCc2c[nH]c3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C16 compound treatment 1.011 -0.0103 -0.3 0.999 -0.0245 -0.72 -0.7226 -0.9237 3118182 ChemDiv3_001820 COc1ccccc1N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C17 compound treatment 1.039 0.0177 0.51 1.002 -0.0215 -0.63 -0.0865 -0.1061 3021617 ChemDiv3_001821 OC(=O)/C(=C/c1ccc2OCOc2c1)/NC(=O)c3ccccc3Br 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C18 compound treatment 1.021 -3.23E-4 -0.01 1.01 -0.0135 -0.4 -0.2878 -0.7235 3118183 ChemDiv3_001822 Ic1ccc(Nc2nc(Nc3ccccc3)nc(n2)N4CCOCC4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C19 compound treatment 1.033 0.0117 0.34 1.023 -4.52E-4 -0.01 0.2297 0.6787 1705372 ChemDiv3_001823 CCn1c2ccccc2c3cc(CN4CCN(Cc5cccc(C)c5)CC4)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C20 compound treatment 1.038 0.0167 0.48 1.03 0.00655 0.19 0.4784 0.9194 1427498 ChemDiv3_001824 Clc1ccc(CN2CCNCC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C21 compound treatment 1.018 -0.00332 -0.1 1.013 -0.0105 -0.31 -0.2865 -0.8854 1410682 ChemDiv3_001825 CC1CC(Nc2ccccc2)c3ccccc3N1S(=O)(=O)c4ccc(Br)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C22 compound treatment 1.031 0.00968 0.28 1.041 0.0175 0.52 0.5651 0.9582 3021618 ChemDiv3_001826 COc1cccc(/C=C/2\C(=O)NC(=O)N(C)C2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C23 mock treatment 1.02 -0.00132 -0.04 1.021 -0.00245 -0.07 -0.0783 -0.9556 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 C24 mock treatment 1.046 0.0247 0.71 1.029 0.00555 0.16 0.6213 0.8474 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D01 compound treatment 1.014 -0.00732 -0.21 1.015 -0.00845 -0.25 -0.3266 -0.9967 3021619 ChemDiv3_001827 CCOC(=O)c1nc2ccccc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D02 compound treatment 1.015 -0.00632 -0.18 1.021 -0.00245 -0.07 -0.1807 -0.9177 1548078 ChemDiv3_001828 O=C(c1c(oc2C(=O)c3ccccc3C(=O)c12)c4ccccc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D03 compound treatment 1.065 0.0437 1.26 1.052 0.0285 0.84 1.4913 0.9807 3118184 ChemDiv3_001829 Oc1ccc(/C=C/2\C(=O)NC(=O)N(CC=C)C2=O)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D04 compound treatment 1.012 -0.00932 -0.27 1.008 -0.0155 -0.46 -0.5139 -0.9685 1159195 ChemDiv3_001830 O=C(CCC1CCCCC1)Nc2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D05 compound treatment 1.028 0.00668 0.19 1.028 0.00455 0.13 0.2318 0.9842 3021621 ChemDiv3_001831 Clc1ccc(cc1)c2ccc(=S)n(n2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D06 compound treatment 1.157 0.136 3.93 1.14 0.117 3.45 5.2151 0.9979 1463047 ChemDiv3_001832 Cc1ccc(OC(=O)c2cc(ccc2C)S(=O)(=O)N3CCCC3)cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D07 compound treatment 1.219 0.198 5.72 1.202 0.179 5.28 7.7809 0.9992 3021622 ChemDiv3_001833 CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D08 compound treatment 1.027 0.00568 0.16 1.009 -0.0145 -0.43 -0.1859 -0.406 1242363 ChemDiv3_001834 CCOC(=O)C(C)Oc1cc2oc(=O)c3CCCCc3c2cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D09 compound treatment 1.011 -0.0103 -0.3 1.009 -0.0145 -0.43 -0.5135 -0.9847 3021623 ChemDiv3_001835 CCOC(=O)c1c(C)n(OCc2ccccc2)c3ccc4nonc4c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D10 compound treatment 1.013 -0.00832 -0.24 1.021 -0.00245 -0.07 -0.2217 -0.8808 1388539 ChemDiv3_001836 COc1ccc(cc1)C2CC(=O)C3=C(C2)Nc4ccccc4N(C3c5ccccc5)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D11 compound treatment 1.048 0.0267 0.77 1.039 0.0155 0.46 0.8714 0.9692 3021624 ChemDiv3_001837 CCOc1nc(nc2ccccc12)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D12 compound treatment 1.019 -0.00232 -0.07 1.005 -0.0185 -0.55 -0.4333 -0.7883 3118185 ChemDiv3_001838 Cc1cccn2c(=O)c(/C=C/3\SC(=S)NC3=O)c(NCC=C)nc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D13 compound treatment 1.005 -0.0163 -0.47 1.024 5.48E-4 0.02 -0.3228 -0.6825 3021625 ChemDiv3_001839 CC1(C)CC(=O)/C(=C/c2ccco2)/CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D14 compound treatment 1.024 0.00268 0.08 1.025 0.00155 0.05 0.0872 0.9684 1476666 ChemDiv3_001840 Brc1ccccc1C(=O)Nc2cccc(c2)c3nc4ccccc4c(=O)o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D15 compound treatment 1.003 -0.0183 -0.53 1.01 -0.0135 -0.4 -0.6564 -0.9899 3118186 ChemDiv3_001841 CCOc1ccc(Nc2nc(Nc3ccc(OCC)cc3)nc(SC4=NCCS4)n2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D16 compound treatment 1.019 -0.00232 -0.07 1.012 -0.0115 -0.34 -0.287 -0.8313 3021626 ChemDiv3_001842 O=C1OC(OC(=O)C1=Cc2cccc(OCc3ccccc3)c2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D17 compound treatment 1.139 0.118 3.41 1.092 0.0685 2.03 3.8429 0.9692 1107247 ChemDiv3_001843 CC1CCCC(C)N1C(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D18 compound treatment 1.004 -0.0173 -0.5 1.002 -0.0215 -0.63 -0.8032 -0.9933 3021627 ChemDiv3_001844 COc1cc2CC(C)(C)N=C(Nc3nc(cs3)c4ccccc4)c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D19 compound treatment 1.035 0.0137 0.4 1.031 0.00755 0.22 0.4379 0.9632 3118187 ChemDiv3_001845 CCCCc1nc2ccccc2c(=O)n1c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D20 compound treatment 1.035 0.0137 0.4 1.036 0.0125 0.37 0.5424 0.9995 1507247 ChemDiv3_001846 Clc1c(sc2ccccc12)C(=O)NCCC3=CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D21 compound treatment 1.023 0.00168 0.05 1.012 -0.0115 -0.34 -0.2051 -0.5995 3021628 ChemDiv3_001847 COC(=O)Cn1c2CCCCc2c3cc(C)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D22 compound treatment 1.026 0.00468 0.14 1.016 -0.00745 -0.22 -0.06 -0.232 1488517 ChemDiv3_001848 COC(=O)c1c(C)oc2ccc(OCC#N)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D23 mock treatment 0.997 -0.0243 -0.7 1.002 -0.0215 -0.63 -0.9466 -0.9986 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 D24 mock treatment 1.095 0.0737 2.13 1.085 0.0615 1.82 2.7956 0.9969 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E01 compound treatment 1.031 0.00968 0.28 1.031 0.00755 0.22 0.356 0.9936 1575197 ChemDiv3_001849 O=C(Nc1ccc(cc1)c2nc3ccccc3o2)c4ccc(cc4)C(=O)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E02 compound treatment 1.025 0.00368 0.11 1.031 0.00755 0.22 0.2331 0.9427 1324387 ChemDiv3_001850 Cc1ccc(cc1)C(=O)N2C(=O)C(Oc3ccccc23)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E03 compound treatment 1.022 6.77E-4 0.02 1.027 0.00355 0.1 0.0881 0.825 3118188 ChemDiv3_001851 COc1cccc2s/c(=N/C(=S)NC(=O)c3ccc(C)cc3)/n(C)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E04 compound treatment 1.022 6.77E-4 0.02 1.015 -0.00845 -0.25 -0.1628 -0.6496 3021629 ChemDiv3_001852 CCOC(=O)CSc1nc(C)c2cc(C)c(C)cc2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E05 compound treatment 1.03 0.00868 0.25 1.023 -4.52E-4 -0.01 0.1683 0.6686 1633868 ChemDiv3_001853 O=C(Nc1ccccc1c2nc3ccccc3s2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E06 compound treatment 1.025 0.00368 0.11 1.03 0.00655 0.19 0.2122 0.9604 1479197 ChemDiv3_001854 Oc1nc2cc(Cl)ccc2c(c1SC3=NCCS3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E07 compound treatment 1.016 -0.00532 -0.15 1.022 -0.00145 -0.04 -0.1393 -0.8709 1403729 ChemDiv3_001855 COc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)N4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E08 compound treatment 1.038 0.0167 0.48 1.031 0.00755 0.22 0.4993 0.9385 1609478 ChemDiv3_001856 COc1ccc(cc1OC)C(=S)N2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E09 compound treatment 1.046 0.0247 0.71 1.025 0.00155 0.05 0.5377 0.7509 3118189 ChemDiv3_001857 Cc1ccc(c(C)c1)n2c(C)cc(=O)cc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E10 compound treatment 1.024 0.00268 0.08 1.025 0.00155 0.05 0.0872 0.9684 1627173 ChemDiv3_001858 OC(=O)CCCC(=O)Nc1cccc2cccnc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E11 compound treatment 1.087 0.0657 1.9 1.057 0.0335 0.99 2.0463 0.9539 3021676 ChemDiv3_001859 Cc1cc(O)nc(SCC(=O)c2cccs2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E12 compound treatment 1.029 0.00768 0.22 1.026 0.00255 0.08 0.2105 0.8966 3118190 ChemDiv3_001860 Cc1ccc2[nH]c(=O)c(c(c3ccccc3)c2c1)[n+]4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E13 compound treatment 1.067 0.0457 1.32 1.057 0.0335 0.99 1.6368 0.9899 3118191 ChemDiv3_001861 C/C(=C/1\SC(=S)NC1=O)/C\C(=C/2\SC(=S)NC2=O)\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E14 compound treatment 1.022 6.77E-4 0.02 1.018 -0.00545 -0.16 -0.1001 -0.6165 1418462 ChemDiv3_001862 O=C(Oc1ccc2ccc(=O)oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E15 compound treatment 1.071 0.0497 1.44 1.046 0.0225 0.67 1.4887 0.9389 1307975 ChemDiv3_001863 CCOC(=O)c1ccc(Nc2cc(C)nc(n2)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E16 compound treatment 1.034 0.0127 0.37 1.04 0.0165 0.49 0.6056 0.99 3021677 ChemDiv3_001864 COc1cccc(/C=C/2\C(=O)NC(=O)N(C2=O)c3cccc(OC)c3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E17 compound treatment 1.102 0.0807 2.34 1.096 0.0725 2.14 3.1689 0.9991 3118326 ChemDiv3_001865 Clc1ccccc1C(=O)N/C(=C\c2ccc3OCOc3c2)/C(=O)N4CCOCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E18 compound treatment 1.036 0.0147 0.43 1.034 0.0105 0.31 0.5211 0.9884 1535987 ChemDiv3_001866 CC1CCN(Cn2c(=S)n(CN3CCC(C)CC3)c4ccccc24)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E19 compound treatment 1.022 6.77E-4 0.02 1.036 0.0125 0.37 0.2762 0.7435 1155262 ChemDiv3_001867 COc1ccccc1CN2CCN(Cc3ccccc3)CC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E20 compound treatment 1.048 0.0267 0.77 1.035 0.0115 0.34 0.7877 0.9326 1640740 ChemDiv3_001868 CCCC1=C(C(C(=C(N1)SC)C#N)c2ccccc2Cl)C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E21 compound treatment 1.012 -0.00932 -0.27 1.019 -0.00445 -0.13 -0.284 -0.9455 1272136 ChemDiv3_001869 CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E22 compound treatment 1.025 0.00368 0.11 1.022 -0.00145 -0.04 0.045 0.3916 3118327 ChemDiv3_001870 CN1C(=O)NC(=O)/C(=C\c2ccc(O)cc2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E23 mock treatment 1.027 0.00568 0.16 1.027 0.00355 0.1 0.1904 0.9764 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 E24 mock treatment 1.027 0.00568 0.16 1.017 -0.00645 -0.19 -0.0186 -0.0739 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F01 compound treatment 1.023 0.00168 0.05 1.02 -0.00345 -0.1 -0.0378 -0.3345 1132984 ChemDiv3_001871 COc1ccc(NC(=S)NCC2CCCO2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F02 compound treatment 1.017 -0.00432 -0.13 1.023 -4.52E-4 -0.01 -0.098 -0.7781 3118328 ChemDiv3_001872 O=C1c2oc(c(C#N)c2C(=O)c3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F03 compound treatment 1.021 -3.23E-4 -0.01 1.026 0.00255 0.08 0.0467 0.6147 3021678 ChemDiv3_001873 CCN1C(=O)/C(=C/c2ccc[nH]2)/C(=O)NC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F04 compound treatment 1.016 -0.00532 -0.15 1.021 -0.00245 -0.07 -0.1603 -0.9408 3118329 ChemDiv3_001874 COc1ccc(cc1OC)C2CC(=NN2)c3cc(Cl)ccc3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F05 compound treatment 1.048 0.0267 0.77 1.022 -0.00145 -0.04 0.516 0.6668 1704441 ChemDiv3_001875 CCSc1ccc(NC(=O)CC2c3ccccc3Oc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F06 compound treatment 1.008 -0.0133 -0.39 1.015 -0.00845 -0.25 -0.4495 -0.9779 1175553 ChemDiv3_001876 Cc1ccc(cc1S(=O)(=O)N2CCCCC2)C(=O)NCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F07 compound treatment 1.012 -0.00932 -0.27 1.026 0.00255 0.08 -0.1376 -0.491 3118330 ChemDiv3_001877 CCCCN(C)Cc1c(O)ccc2c(=O)c(c3ccccc3OC)c(oc12)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F08 compound treatment 1.042 0.0207 0.6 1.038 0.0145 0.43 0.7276 0.9868 1437891 ChemDiv3_001878 Cc1cn2c(n1)n(Cc3ccc(C)cc3)c4ccccc42 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F09 compound treatment 1.179 0.158 4.57 1.147 0.124 3.65 5.8119 0.9939 3118331 ChemDiv3_001879 [O-][n+]1c(c2ccccc2)c(=O)n(OCc3ccccc3)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F10 compound treatment 1.018 -0.00332 -0.1 1.028 0.00455 0.13 0.027 0.1636 1724763 ChemDiv3_001880 CCNC(=S)N1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(cc4)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F11 compound treatment 1.044 0.0227 0.66 1.045 0.0215 0.64 0.9149 0.9999 1445265 ChemDiv3_001881 C1CCN(C1)c2nc3ccccc3n4cnnc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F12 compound treatment 1.026 0.00468 0.14 0.993 -0.0305 -0.9 -0.5409 -0.594 1581689 ChemDiv3_001882 Cc1ccc(cc1)c2nnc(Sc3nc4ccccc4o3)c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F13 compound treatment 1.03 0.00868 0.25 1.019 -0.00445 -0.13 0.0846 0.2983 1785410 ChemDiv3_001883 CC(C)N1CC2(N3CC4(C)CN2CC(C)(C3)C4=O)c5ccccc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F14 compound treatment 1.027 0.00568 0.16 1.024 5.48E-4 0.02 0.1277 0.7731 1701789 ChemDiv3_001884 CS(=O)(=O)N(Cc1ccc(Cl)cc1)c2ccc(cc2)C(=O)N3CCCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F15 compound treatment 1.026 0.00468 0.14 1.027 0.00355 0.1 0.17 0.992 3118332 ChemDiv3_001885 NC(=N)/N=c/1\[nH]c(=O)c2ccccc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F16 compound treatment 1.009 -0.0123 -0.36 1.005 -0.0185 -0.55 -0.6381 -0.9788 3118333 ChemDiv3_001886 CC(C)(C)C1(C)OC(=O)C(=Cc2ccccc2Cl)C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F17 compound treatment 1.053 0.0317 0.92 1.044 0.0205 0.61 1.0783 0.98 1472344 ChemDiv3_001887 O=C(OCCN1C(=O)c2ccccc2C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F18 compound treatment 1.022 6.77E-4 0.02 0.991 -0.0325 -0.96 -0.6646 -0.6925 1671379 ChemDiv3_001888 COc1ccc(OC)c2C(=NC(C)(C)Cc12)SC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F19 compound treatment 1.02 -0.00132 -0.04 1.032 0.00855 0.25 0.1516 0.5932 3021679 ChemDiv3_001889 CCOC(=O)c1c(C)c2/C(=N/O)/CCCc2n1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F20 compound treatment 1.038 0.0167 0.48 1.028 0.00455 0.13 0.4366 0.8709 1637847 ChemDiv3_001890 CC(=O)Oc1ccc2cc(c3nc4ccccc4n3C)c(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F21 compound treatment 1.122 0.101 2.92 1.115 0.0915 2.71 3.9757 0.9993 3021680 ChemDiv3_001891 N#CCc1nnc2CCCCCn12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F22 compound treatment 1.023 0.00168 0.05 1.021 -0.00245 -0.07 -0.0169 -0.1937 1388136 ChemDiv3_001892 COC(=O)c1c(C)oc2ccc(OCc3ccccc3C)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F23 mock treatment 1.008 -0.0133 -0.39 1.017 -0.00645 -0.19 -0.4077 -0.9473 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 F24 mock treatment 1.05 0.0287 0.83 1.054 0.0305 0.9 1.2259 0.9991 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G01 compound treatment 1.02 -0.00132 -0.04 1.024 5.48E-4 0.02 -0.0156 -0.3755 3021681 ChemDiv3_001893 Cn1/c(=N/C(=O)c2cccc(c2)C(F)(F)F)/sc3c1ccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G02 compound treatment 1.01 -0.0113 -0.33 1.011 -0.0125 -0.37 -0.4922 -0.9983 1418652 ChemDiv3_001894 COc1ccc(OCC(=O)N2c3ccccc3Sc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G03 compound treatment 1.01 -0.0113 -0.33 1.019 -0.00445 -0.13 -0.3249 -0.9196 1381191 ChemDiv3_001895 Nc1c(C(=O)c2ccccc2)n3ccccc3c1c4nc(cs4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G04 compound treatment 1.018 -0.00332 -0.1 1.013 -0.0105 -0.31 -0.2865 -0.8854 1522414 ChemDiv3_001896 Cc1ccc(SCc2cc(O)nc(Nc3nc4ccccc4o3)n2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G05 compound treatment 1.028 0.00668 0.19 1.031 0.00755 0.22 0.2946 0.9975 1650593 ChemDiv3_001897 CCCCC1CCC(CC1)C(=O)ON2C(=O)c3cccc4cccc(C2=O)c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G06 compound treatment 1.045 0.0237 0.69 1.047 0.0235 0.7 0.9772 1.0 1442367 ChemDiv3_001898 S=c1[nH]nc(c2cccnc2)n1C3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G07 compound treatment 1.015 -0.00632 -0.18 1.02 -0.00345 -0.1 -0.2016 -0.9619 1200273 ChemDiv3_001899 CC1(C)CC(=O)C2=C(C1)Nc3[nH]c(=S)[nH]c(=O)c3C2c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G08 compound treatment 1.023 0.00168 0.05 1.039 0.0155 0.46 0.3594 0.7775 3020977 ChemDiv3_001900 Clc1ccc(cc1)C(=S)N2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G09 compound treatment 1.027 0.00568 0.16 1.027 0.00355 0.1 0.1904 0.9764 3020978 ChemDiv3_001901 CCCCn1c(nc(=S)c2CCCCc21)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G10 compound treatment 1.006 -0.0153 -0.44 1.022 -0.00145 -0.04 -0.3441 -0.7719 1183988 ChemDiv3_001902 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G11 compound treatment 0.92 -0.101 -2.93 0.936 -0.0875 -2.59 -3.9032 -0.998 3020979 ChemDiv3_001903 Nc1cc(O)nc(SCC(=O)c2cccs2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G12 compound treatment 1.012 -0.00932 -0.27 0.986 -0.0375 -1.11 -0.9739 -0.8545 1644588 ChemDiv3_001904 CCCc1c(O)nc(SCc2ccccc2)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G13 compound treatment 1.081 0.0597 1.73 1.056 0.0325 0.96 1.9026 0.9618 3118334 ChemDiv3_001905 C/N=C(\c1ccc(C)cc1)/n2c(=S)nc(c3ccc(C)cc3)n(C)c2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G14 compound treatment 1.014 -0.00732 -0.21 1.013 -0.0105 -0.31 -0.3685 -0.9831 3020980 ChemDiv3_001906 CCC(=O)NC(Nc1cccnc1Cl)(C(F)(F)F)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G15 compound treatment 0.853 -0.168 -4.87 0.893 -0.13 -3.86 -6.1742 -0.9933 1404360 ChemDiv3_001907 Cc1sc(NC(=O)C(Cc2ccccc2)Cc3ccccc3)c(C#N)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G16 compound treatment 1.031 0.00968 0.28 1.037 0.0135 0.4 0.4814 0.9847 1312332 ChemDiv3_001908 Cc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G17 compound treatment 1.029 0.00768 0.22 1.03 0.00655 0.19 0.2941 0.9976 3118335 ChemDiv3_001909 COc1ccccc1C(=O)N/C(=C\c2ccccc2)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G18 compound treatment 1.022 6.77E-4 0.02 1.026 0.00255 0.08 0.0672 0.8625 1265569 ChemDiv3_001910 CC1(C)C(C(=O)N2CCN(CC2)c3ccc(Cl)cc3)C1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G19 compound treatment 1.045 0.0237 0.69 1.026 0.00255 0.08 0.5382 0.7801 1567377 ChemDiv3_001911 COc1ccc(CNC2C3CC4CC(C3)CC2C4)c(OC)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G20 compound treatment 1.023 0.00168 0.05 1.028 0.00455 0.13 0.1294 0.9053 1616500 ChemDiv3_001912 CC(C)OC(=O)CSC1=C(C#N)C(CC(=O)N1)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G21 compound treatment 1.03 0.00868 0.25 1.035 0.0115 0.34 0.4191 0.9886 1342244 ChemDiv3_001913 O=C(CN1C(=O)c2ccccc2C1=O)N3c4ccccc4Sc5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G22 compound treatment 1.12 0.0987 2.86 1.099 0.0755 2.23 3.6002 0.9926 3020981 ChemDiv3_001914 Cc1ccc(cc1)c2nc(no2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G23 mock treatment 1.018 -0.00332 -0.1 1.006 -0.0175 -0.52 -0.4329 -0.8248 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 G24 mock treatment 1.014 -0.00732 -0.21 1.023 -4.52E-4 -0.01 -0.1594 -0.7501 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H01 compound treatment 0.997 -0.0243 -0.7 1.028 0.00455 0.13 -0.403 -0.562 1224823 ChemDiv3_001915 CC(Oc1ccc(Cl)c(C)c1)C(=O)Nc2sc3CCCCCCc3c2C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H02 compound treatment 1.018 -0.00332 -0.1 1.027 0.00355 0.1 0.0061 0.0432 1608454 ChemDiv3_001916 O=C1OC(Oc2cccc3cccnc23)(c4ccccc14)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H03 compound treatment 1.029 0.00768 0.22 1.023 -4.52E-4 -0.01 0.1478 0.6634 3020982 ChemDiv3_001917 CCc1n[nH]c2OC(=C(C#N)C(c12)c3cccc(OC(=O)N4CCOCC4)c3)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H04 compound treatment 1.005 -0.0163 -0.47 1.022 -0.00145 -0.04 -0.3646 -0.7681 1208340 ChemDiv3_001918 N(c1ccc2ccccc2c1)c3ncnc4[nH]ncc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H05 compound treatment 1.013 -0.00832 -0.24 1.013 -0.0105 -0.31 -0.3889 -0.9924 3118467 ChemDiv3_001919 Clc1ccccc1OCCNC(=O)CC2c3ccccc3Oc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H06 compound treatment 1.019 -0.00232 -0.07 1.004 -0.0195 -0.58 -0.4542 -0.7845 1533326 ChemDiv3_001920 OC(=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N3CCCCC3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H07 compound treatment 1.017 -0.00432 -0.13 1.034 0.0105 0.31 0.132 0.3928 3118468 ChemDiv3_001921 COC(=O)CN1C(=O)/C(=C\c2ccc(O)cc2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H08 compound treatment 1.015 -0.00632 -0.18 1.039 0.0155 0.46 0.1956 0.3953 3118469 ChemDiv3_001922 CC(C)CCOc1ccc(/C=N/c2nc3ccccc3n2CC=C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H09 compound treatment 1.028 0.00668 0.19 1.016 -0.00745 -0.22 -0.019 -0.065 1416640 ChemDiv3_001923 CCOn1c(=O)c(=O)n(OC)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H10 compound treatment 1.005 -0.0163 -0.47 0.986 -0.0375 -1.11 -1.1172 -0.928 3020983 ChemDiv3_001924 O=C1C(=CNCCN2CCOCC2)C(=O)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H11 compound treatment 1.011 -0.0103 -0.3 1.013 -0.0105 -0.31 -0.4299 -0.9999 3118470 ChemDiv3_001925 C(Nc1ccccc1)C2OCc3ccccc3CO2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H12 compound treatment 1.024 0.00268 0.08 1.02 -0.00345 -0.1 -0.0173 -0.1352 1432963 ChemDiv3_001926 COc1ccc(cc1)c2nnc(Nc3ccc(Cl)cc3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H13 compound treatment 1.024 0.00268 0.08 1.022 -0.00145 -0.04 0.0245 0.2762 3020985 ChemDiv3_001927 Oc1ccc(/C=N/CC2OCCc3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H14 compound treatment 1.013 -0.00832 -0.24 1.005 -0.0185 -0.55 -0.5562 -0.9326 1651658 ChemDiv3_001928 CS(=O)(=O)N(CC(=O)NCc1ccco1)c2ccccc2Br 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H15 compound treatment 1.026 0.00468 0.14 1.019 -0.00445 -0.13 0.0027 0.0144 3020986 ChemDiv3_001929 CC(=O)/N=C(/Nc1cc(C)cc(C)c1)\Nc2nc(C)cc(C)n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H16 compound treatment 1.271 0.25 7.23 1.311 0.288 8.5 11.1246 0.9968 3118471 ChemDiv3_001930 CCOc1ccc(C=C2C(=O)OC(OC2=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H17 compound treatment 1.014 -0.00732 -0.21 1.032 0.00855 0.25 0.0288 0.0872 1104705 ChemDiv3_001931 OC(=O)c1ccc2[n+]([O-])onc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H18 compound treatment 1.023 0.00168 0.05 1.009 -0.0145 -0.43 -0.2678 -0.6227 1710057 ChemDiv3_001932 COc1ccc(OC)c2-c3nnc(c4ccc(Cl)cc4)n3C(C)(C)Cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H19 compound treatment 1.011 -0.0103 -0.3 1.01 -0.0135 -0.4 -0.4926 -0.9901 1559608 ChemDiv3_001933 CCOC(=O)c1c(C)sc2c3CCCCc3[nH]c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H20 compound treatment 1.055 0.0337 0.98 1.035 0.0115 0.34 0.9311 0.901 1736634 ChemDiv3_001934 CCc1cc2c(=O)c(coc2cc1OC(=O)C)c3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H21 compound treatment 1.007 -0.0143 -0.41 1.011 -0.0125 -0.37 -0.5536 -0.9982 1604867 ChemDiv3_001935 O=c1cc(Nc2ccccc2)cc[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H22 compound treatment 1.026 0.00468 0.14 1.033 0.00955 0.28 0.2954 0.9434 1199255 ChemDiv3_001936 CC(C)OC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccco3)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H23 mock treatment 1.046 0.0247 0.71 1.04 0.0165 0.49 0.8513 0.9829 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 H24 mock treatment 1.033 0.0117 0.34 1.041 0.0175 0.52 0.606 0.9785 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I01 compound treatment 1.001 -0.0203 -0.59 1.016 -0.00745 -0.22 -0.572 -0.9101 3020987 ChemDiv3_001937 CCN(CC)c1ccc(cc1)C(=O)/N=c/2\sc3c(ccc4ccccc34)n2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I02 compound treatment 1.018 -0.00332 -0.1 1.009 -0.0145 -0.43 -0.3702 -0.8452 3118472 ChemDiv3_001938 COc1ccccc1C(=O)/N=C(\N)/Nc2nc3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I03 compound treatment 1.003 -0.0183 -0.53 1.005 -0.0185 -0.55 -0.761 -0.9999 1156027 ChemDiv3_001939 CC1CCN(CC(O)COc2ccc(C)cc2C)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I04 compound treatment 1.015 -0.00632 -0.18 1.01 -0.0135 -0.4 -0.4107 -0.938 3020988 ChemDiv3_001940 Cc1ccc(cc1)C(=O)/N=C(\N)/Nc2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I05 compound treatment 1.004 -0.0173 -0.5 1.009 -0.0145 -0.43 -0.6569 -0.9968 1061384 ChemDiv3_001941 CCOC(=O)c1c2C(=O)c3ccccc3C(=O)c2n4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I06 compound treatment 1.009 -0.0123 -0.36 1.003 -0.0205 -0.6 -0.6799 -0.9684 1323512 ChemDiv3_001942 O=C(NC(Cc1ccccc1)C(=O)OCc2cnc(o2)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I07 compound treatment 1.007 -0.0143 -0.41 1.002 -0.0215 -0.63 -0.7418 -0.9788 3020989 ChemDiv3_001943 CC1(C)C/C(=N\O)/c2c(C1)nc(c3[nH]c4ccccc4c23)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I08 compound treatment 1.187 0.166 4.8 1.178 0.155 4.57 6.6239 0.9997 3020990 ChemDiv3_001944 Oc1ccc(cc1)C(=S)N2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I09 compound treatment 1.01 -0.0113 -0.33 1.014 -0.00945 -0.28 -0.4295 -0.9968 3118473 ChemDiv3_001945 CCN(CC)c1ccc(/C=N/CCc2ccccc2)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I10 compound treatment 1.022 6.77E-4 0.02 1.011 -0.0125 -0.37 -0.2464 -0.6685 1727202 ChemDiv3_001946 CCOC(=O)CSc1nc2CCCCc2cc1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I11 compound treatment 1.011 -0.0103 -0.3 1.006 -0.0175 -0.52 -0.5762 -0.9663 1682537 ChemDiv3_001947 Cc1ccc(cc1)S(=O)(=O)N2N=C(CC2c3ccc(Cl)cc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I12 compound treatment 1.035 0.0137 0.4 1.045 0.0215 0.64 0.7306 0.9739 1023355 ChemDiv3_001948 O=C1NC(=S)NC(=O)C1c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I13 compound treatment 1.047 0.0257 0.74 1.03 0.00655 0.19 0.6627 0.8625 3118474 ChemDiv3_001949 O/N=C(/CC1(O)C(=O)Nc2ccccc21)\c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I14 compound treatment 0.992 -0.0293 -0.85 1.002 -0.0215 -0.63 -1.049 -0.9897 1292612 ChemDiv3_001950 CC(C)(C)NC(=O)CSc1nc2ccccc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I15 compound treatment 1.063 0.0417 1.21 1.04 0.0165 0.49 1.1995 0.921 1268842 ChemDiv3_001951 COc1ccc(CN(CCC(c2ccc3OCOc3c2)c4ccccc4OC)C(=O)c5ccco5)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I16 compound treatment 1.0 -0.0213 -0.62 1.02 -0.00345 -0.1 -0.5088 -0.8129 3021034 ChemDiv3_001952 COC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc3CCCCc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I17 compound treatment 1.028 0.00668 0.19 1.027 0.00355 0.1 0.2109 0.9587 3118475 ChemDiv3_001953 COc1ccccc1C(=O)N/C(=C\c2ccccc2)/C(=O)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I18 compound treatment 1.058 0.0367 1.06 1.055 0.0315 0.93 1.4107 0.9979 1441672 ChemDiv3_001954 O=C(NC1CCCCCC1)c2ccc3OCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I19 compound treatment 1.011 -0.0103 -0.3 1.012 -0.0115 -0.34 -0.4508 -0.9981 1243149 ChemDiv3_001955 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I20 compound treatment 0.996 -0.0253 -0.73 0.998 -0.0255 -0.75 -1.0507 -0.9999 3021035 ChemDiv3_001956 Cn1cccc1/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I21 compound treatment 1.017 -0.00432 -0.13 1.02 -0.00345 -0.1 -0.1607 -0.9949 3118476 ChemDiv3_001957 FC(F)(F)c1ccc2Sc3ccccc3N(c2c1)S(=O)(=O)c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I22 compound treatment 1.001 -0.0203 -0.59 1.008 -0.0155 -0.46 -0.7392 -0.9922 1013814 ChemDiv3_001958 O=C(N1CN(CN(C1)C(=O)c2ccccc2)C(=O)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I23 mock treatment 1.011 -0.0103 -0.3 1.002 -0.0215 -0.63 -0.6599 -0.9411 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 I24 mock treatment 0.997 -0.0243 -0.7 1.011 -0.0125 -0.37 -0.7584 -0.9542 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J01 compound treatment 1.002 -0.0193 -0.56 0.999 -0.0245 -0.72 -0.9069 -0.992 3021036 ChemDiv3_001959 CCC(C)NC=C1C(=O)NC(=O)NC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J02 compound treatment 1.015 -0.00632 -0.18 1.005 -0.0185 -0.55 -0.5152 -0.8954 3118477 ChemDiv3_001960 CCOC(=O)C(C1CCCCC1)C(=O)Nc2ccc(Br)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J03 compound treatment 1.006 -0.0153 -0.44 1.001 -0.0225 -0.66 -0.7832 -0.9808 3021037 ChemDiv3_001961 COc1ccc(cc1OC)/C(=C/c2ccc3OCOc3c2)/C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J04 compound treatment 1.001 -0.0203 -0.59 0.995 -0.0285 -0.84 -1.011 -0.9847 1193383 ChemDiv3_001962 Cc1cccc(c1)n2ncc3c(Nc4ccc(cc4)c5ccccc5)ncnc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J05 compound treatment 1.011 -0.0103 -0.3 0.996 -0.0275 -0.81 -0.7853 -0.9079 3118478 ChemDiv3_001963 CC1(C)CC(=C(C2C3=C(CC(C)(C)CC3=O)Oc4ccc(Br)cc24)C(=O)C1)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J06 compound treatment 1.005 -0.0163 -0.47 1.016 -0.00745 -0.22 -0.49 -0.9396 1079134 ChemDiv3_001964 OC1(CC(=O)CC2(O)C(=O)Nc3ccccc32)C(=O)Nc4ccccc41 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J07 compound treatment 1.015 -0.00632 -0.18 1.022 -0.00145 -0.04 -0.1598 -0.8498 3021006 ChemDiv3_001965 COC(=O)CN1C(=O)/C(=C/c2ccc(cc2)N(C)C)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J08 compound treatment 1.021 -3.23E-4 -0.01 1.022 -0.00145 -0.04 -0.037 -0.8413 3021008 ChemDiv3_001966 COc1ccc(/C=N/c2nc3ccccc3n2C)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J09 compound treatment 1.02 -0.00132 -0.04 1.023 -4.52E-4 -0.01 -0.0365 -0.9005 3118479 ChemDiv3_001967 CC1(C)NC(=[N+]([O-])C1(C)O)C(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J10 compound treatment 1.023 0.00168 0.05 1.009 -0.0145 -0.43 -0.2678 -0.6227 3118608 ChemDiv3_001968 O=C1C(=CNCCc2c[nH]c3ccccc23)C(=O)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J11 compound treatment 1.005 -0.0163 -0.47 1.006 -0.0175 -0.52 -0.6991 -0.999 3021012 ChemDiv3_001969 CCN(CC)c1nc(Cl)nc(n1)N(C)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J12 compound treatment 1.04 0.0187 0.54 1.031 0.00755 0.22 0.5403 0.9233 1214793 ChemDiv3_001970 Cc1ccccc1Nc2nnc(c3ccc(cc3)C(=O)NCCO)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J13 compound treatment 1.026 0.00468 0.14 1.021 -0.00245 -0.07 0.0445 0.2898 1120090 ChemDiv3_001971 CCc1ccc(NC2=CC(=O)CC(C2)c3ccco3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J14 compound treatment 1.009 -0.0123 -0.36 1.001 -0.0225 -0.66 -0.7217 -0.9576 1659923 ChemDiv3_001972 O=C(NCc1ccccc1)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J15 compound treatment 1.019 -0.00232 -0.07 1.026 0.00255 0.08 0.0057 0.0566 1418748 ChemDiv3_001973 CC(=O)NC(c1ccccc1)c2ccc3cccnc3c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J16 compound treatment 1.07 0.0487 1.41 1.059 0.0355 1.05 1.74 0.9895 1553968 ChemDiv3_001974 COc1cc(OC)cc(c1)C(=O)Nc2cccc3nsnc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J17 compound treatment 1.005 -0.0163 -0.47 1.031 0.00755 0.22 -0.1764 -0.3375 1597222 ChemDiv3_001975 CN(C)c1ccc(cc1)C(=S)N2CCN(CC2)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J18 compound treatment 1.052 0.0307 0.89 1.05 0.0265 0.78 1.1833 0.9981 1631516 ChemDiv3_001976 COC(=O)Cn1c(SCc2ccccc2)nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J19 compound treatment 1.016 -0.00532 -0.15 1.016 -0.00745 -0.22 -0.2648 -0.9847 1261544 ChemDiv3_001977 CCn1c2C(=O)CCCc2c3cc(ccc13)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J20 compound treatment 1.022 6.77E-4 0.02 1.02 -0.00345 -0.1 -0.0583 -0.5609 1370635 ChemDiv3_001978 O=C(Oc1ccc2cc(c3nc4ccccc4s3)c(=O)oc2c1)c5ccco5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J21 compound treatment 1.011 -0.0103 -0.3 1.021 -0.00245 -0.07 -0.2626 -0.8538 1921265 ChemDiv3_001979 CC(=O)n1c(C)c(c2ccccc2)c3cc(Cl)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J22 compound treatment 1.109 0.0877 2.54 1.069 0.0455 1.35 2.7477 0.956 1050374 ChemDiv3_001980 O=C1NC(=S)NC(=O)C1=Cc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J23 mock treatment 1.0 -0.0213 -0.62 0.995 -0.0285 -0.84 -1.0315 -0.9884 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 J24 mock treatment 1.01 -0.0113 -0.33 1.025 0.00155 0.05 -0.1995 -0.6025 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K01 compound treatment 1.032 0.0107 0.31 1.013 -0.0105 -0.31 1.0E-4 3.0E-4 1285843 ChemDiv3_001981 COC(=O)c1sc2ccccc2c1NC(=O)c3ccc(cc3)S(=O)(=O)N(C)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K02 compound treatment 1.0 -0.0213 -0.62 1.023 -4.52E-4 -0.01 -0.4461 -0.7222 1506924 ChemDiv3_001982 COc1ccc(OCC(=O)N2c3ccccc3C(C)(CC2(C)C)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K03 compound treatment 1.017 -0.00432 -0.13 1.01 -0.0135 -0.4 -0.3697 -0.8868 1117809 ChemDiv3_001983 CC1CCCC(C)N1CC(O)COc2ccc(C)cc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K04 compound treatment 1.013 -0.00832 -0.24 1.012 -0.0115 -0.34 -0.4098 -0.9861 3118609 ChemDiv3_001984 COc1ccc(/C=C/C(=O)N2c3ccccc3Sc4ccccc24)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K05 compound treatment 1.244 0.223 6.45 1.188 0.165 4.87 8.0002 0.9903 1720319 ChemDiv3_001985 CCOC(=O)N1CCN(CC(O)COc2c(OC)cccc2OC)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K06 compound treatment 1.007 -0.0143 -0.41 1.023 -4.52E-4 -0.01 -0.3027 -0.7295 1677632 ChemDiv3_001986 O=C(Oc1ccc(cc1)C(=S)N2CCCCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K07 compound treatment 1.05 0.0287 0.83 1.022 -0.00145 -0.04 0.5569 0.6697 1191436 ChemDiv3_001987 O=C(CCN1C(=O)c2ccccc2C1=O)N(C3CCCCC3)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K08 compound treatment 1.034 0.0127 0.37 1.021 -0.00245 -0.07 0.2084 0.5568 3021061 ChemDiv3_001988 O=C(Oc1ccccc1)c2ccc(=O)oc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K09 compound treatment 1.019 -0.00232 -0.07 1.015 -0.00845 -0.25 -0.2243 -0.8666 1177858 ChemDiv3_001989 O=S(=O)(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K10 compound treatment 1.019 -0.00232 -0.07 1.01 -0.0135 -0.4 -0.3288 -0.8151 1319852 ChemDiv3_001990 CCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K11 compound treatment 1.024 0.00268 0.08 1.02 -0.00345 -0.1 -0.0173 -0.1352 1184848 ChemDiv3_001991 Cc1ccc(cc1)S(=O)(=O)NCCC(=O)N2CCOCCOCCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K12 compound treatment 1.011 -0.0103 -0.3 1.025 0.00155 0.05 -0.179 -0.5919 1733832 ChemDiv3_001992 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc3c(c2)oc4ccccc43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K13 compound treatment 0.973 -0.0483 -1.4 0.988 -0.0355 -1.05 -1.7307 -0.9899 3021100 ChemDiv3_001993 C1CC(SC(C1)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K14 compound treatment 1.018 -0.00332 -0.1 1.019 -0.00445 -0.13 -0.1611 -0.9881 3118610 ChemDiv3_001994 Cc1ccccc1N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K15 compound treatment 1.044 0.0227 0.66 1.067 0.0435 1.29 1.3748 0.9512 1633163 ChemDiv3_001995 O=C(NN1C(=O)C2C3CC(C=C3)C2C1=O)c4ccncc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K16 compound treatment 1.084 0.0627 1.82 1.05 0.0265 0.78 1.8386 0.9297 1547041 ChemDiv3_001996 OC(=O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K17 compound treatment 1.019 -0.00232 -0.07 1.031 0.00755 0.22 0.1102 0.473 1254558 ChemDiv3_001997 CCn1c2ccccc2c3cc(CN4CCN(CC4)C(=O)c5c(OC)cccc5OC)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K18 compound treatment 1.067 0.0457 1.32 1.059 0.0355 1.05 1.6786 0.9935 3021103 ChemDiv3_001998 N#Cc1ccc(CSc2nc3ccccc3s2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K19 compound treatment 1.023 0.00168 0.05 1.023 -4.52E-4 -0.01 0.0249 0.4944 1375332 ChemDiv3_001999 COc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K20 compound treatment 0.999 -0.0223 -0.65 1.03 0.00655 0.19 -0.3202 -0.4745 3118611 ChemDiv3_002000 O=C/1NC(=S)N(C(=O)\C1=C\C=C\c2ccco2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K21 compound treatment 1.083 0.0617 1.79 1.085 0.0615 1.82 2.5498 1.0 1417257 ChemDiv3_002001 O=C(CSc1nc2ccccc2s1)n3c4ccccc4c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K22 compound treatment 1.019 -0.00232 -0.07 1.003 -0.0205 -0.6 -0.4751 -0.7809 1162359 ChemDiv3_002002 CC(=O)Nc1cccc(Oc2ccc3C(=O)N(C(=O)c3c2)c4cccc(Cl)c4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K23 mock treatment 1.002 -0.0193 -0.56 1.01 -0.0135 -0.4 -0.6769 -0.986 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 K24 mock treatment 1.001 -0.0203 -0.59 1.014 -0.00945 -0.28 -0.6138 -0.942 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L01 compound treatment 0.995 -0.0263 -0.76 1.016 -0.00745 -0.22 -0.6948 -0.8756 3118612 ChemDiv3_002003 Cc1ccccc1N2C(=O)NC(=O)/C(=C\Nc3nccs3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L02 compound treatment 1.014 -0.00732 -0.21 0.999 -0.0245 -0.72 -0.6612 -0.8776 3021107 ChemDiv3_002004 CCOC(=O)C(C1CCCCC1)C(=O)Nc2cccc(c2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L03 compound treatment 1.021 -3.23E-4 -0.01 1.04 0.0165 0.49 0.3394 0.6935 3118613 ChemDiv3_002005 Cc1cc(nc(SCC(=O)NCc2cccc(c2)C(F)(F)F)n1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L04 compound treatment 1.009 -0.0123 -0.36 1.01 -0.0135 -0.4 -0.5336 -0.9985 1175222 ChemDiv3_002006 C(c1ccccc1)n2ncc3c(Nc4ccc5ccccc5c4)ncnc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L05 compound treatment 0.977 -0.0443 -1.28 0.985 -0.0385 -1.14 -1.7115 -0.9982 1331687 ChemDiv3_002007 CC1(C)CC(=O)C2=C(C1)c3c(NC2C4CCC=CC4)ccc5ncccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L06 compound treatment 1.012 -0.00932 -0.27 0.997 -0.0265 -0.78 -0.7439 -0.8991 1043898 ChemDiv3_002008 CN(C)Cc1ccc(O)c(CN(C)C)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L07 compound treatment 1.025 0.00368 0.11 1.031 0.00755 0.22 0.2331 0.9427 3118614 ChemDiv3_002009 COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L08 compound treatment 1.034 0.0127 0.37 1.011 -0.0125 -0.37 -7.0E-4 -0.0014 3021145 ChemDiv3_002010 CN(C)c1ccc(/C=N/c2nc3ccccc3n2Cc4ccc(Cl)cc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L09 compound treatment 1.005 -0.0163 -0.47 1.006 -0.0175 -0.52 -0.6991 -0.999 3118615 ChemDiv3_002011 CC12CCCCC2(O)[N+](=C(N1)C(=O)c3ccccc3)[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L10 compound treatment 1.009 -0.0123 -0.36 1.021 -0.00245 -0.07 -0.3036 -0.8337 3021148 ChemDiv3_002012 Cc1ccsc1/C=C(\C#N)/S(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L11 compound treatment 0.999 -0.0223 -0.65 1.005 -0.0185 -0.55 -0.8429 -0.9964 1334871 ChemDiv3_002013 CCOC(=O)CSc1nc(NC#N)nc(n1)N(CC)CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L12 compound treatment 1.526 0.505 14.62 1.428 0.405 11.96 18.7926 0.995 1265403 ChemDiv3_002014 COc1ccc(cc1OC)C(=O)c2nc3ccccc3n2C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L13 compound treatment 1.032 0.0107 0.31 1.038 0.0145 0.43 0.5228 0.9869 1205179 ChemDiv3_002015 O=C1CC(CC(=C1)NCCc2ccccc2)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L14 compound treatment 1.02 -0.00132 -0.04 0.987 -0.0365 -1.08 -0.7892 -0.7318 3021152 ChemDiv3_002016 O=C1OC(OC(=O)C1=C/C=C/c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L15 compound treatment 1.014 -0.00732 -0.21 1.027 0.00355 0.1 -0.0758 -0.3202 1493360 ChemDiv3_002017 CCC(=O)NC(c1ccco1)c2c(OC(=O)C)ccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L16 compound treatment 1.009 -0.0123 -0.36 1.02 -0.00345 -0.1 -0.3245 -0.8743 1179677 ChemDiv3_002018 CC(C)(C)c1ccc(OCC(=O)Nc2cccc3nsnc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L17 compound treatment 1.031 0.00968 0.28 1.053 0.0295 0.87 0.8159 0.8893 3118616 ChemDiv3_002019 COc1ccccc1OCCn2cc(/C=C\3/SC(=S)NC3=O)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L18 compound treatment 1.003 -0.0183 -0.53 1.029 0.00555 0.16 -0.2592 -0.4667 1728260 ChemDiv3_002020 O=C1c2ccccc2-c3nc(cc4cccc1c34)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L19 compound treatment 1.076 0.0547 1.58 1.056 0.0325 0.96 1.8002 0.9715 1780366 ChemDiv3_002021 CCOC(=O)CCn1cc(F)c(=O)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L20 compound treatment 1.032 0.0107 0.31 1.032 0.00855 0.25 0.3974 0.995 1567440 ChemDiv3_002022 CCOC(=O)COc1cc2oc(C)c(c3nc4ccccc4s3)c(=O)c2cc1CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L21 compound treatment 1.01 -0.0113 -0.33 1.017 -0.00645 -0.19 -0.3667 -0.9668 1579324 ChemDiv3_002023 COC(=O)c1c(N)c(C#N)c2CCCn12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L22 compound treatment 1.137 0.116 3.35 1.125 0.102 3.0 4.4919 0.9985 3118756 ChemDiv3_002024 Cc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L23 mock treatment 1.02 -0.00132 -0.04 1.016 -0.00745 -0.22 -0.1829 -0.8178 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 L24 mock treatment 1.023 0.00168 0.05 1.05 0.0265 0.78 0.5894 0.7494 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M01 compound treatment 1.011 -0.0103 -0.3 0.994 -0.0295 -0.87 -0.8271 -0.8984 1553903 ChemDiv3_002025 COC(=O)c1ccc(cc1)C(=O)NC(=S)Nc2nc3CCCCc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M02 compound treatment 1.009 -0.0123 -0.36 0.997 -0.0265 -0.78 -0.8054 -0.9368 1287477 ChemDiv3_002026 Cc1ccc(cc1)S(=O)(=O)NC(=O)N2c3ccccc3CCc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M03 compound treatment 0.986 -0.0353 -1.02 1.0 -0.0235 -0.69 -1.2136 -0.9821 1572495 ChemDiv3_002027 Cc1cc(OCC(O)CNC(C)(C)C)ccc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M04 compound treatment 0.975 -0.0463 -1.34 0.957 -0.0665 -1.96 -2.3379 -0.9827 3021223 ChemDiv3_002028 Cc1ccc(SCc2cc(O)nc(Nc3nc(C)c4ccccc4n3)n2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M05 compound treatment 0.987 -0.0343 -0.99 0.997 -0.0265 -0.78 -1.2559 -0.993 3118757 ChemDiv3_002029 CCN(CC)/C(=N/S(=O)(=O)c1ccc(Cl)cc1)/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M06 compound treatment 0.998 -0.0233 -0.68 1.0 -0.0235 -0.69 -0.9679 -0.9999 1719295 ChemDiv3_002030 O=C(Oc1ccccc1C(=S)N2CCOCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M07 compound treatment 1.068 0.0467 1.35 1.415 0.392 11.58 9.1418 0.7843 1588037 ChemDiv3_002031 COc1ccc(cc1)n2c(SCC(=O)c3ccc(Cl)cc3)nc4ccccc4c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M08 compound treatment 1.007 -0.0143 -0.41 1.005 -0.0185 -0.55 -0.6791 -0.9909 1217270 ChemDiv3_002032 CC(=O)Nc1cc2c(ccc3ccccc32)oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M09 compound treatment 1.007 -0.0143 -0.41 1.002 -0.0215 -0.63 -0.7418 -0.9788 1402210 ChemDiv3_002033 COc1ccc(cc1)c2cc3ccccc3n2CC(O)CN(CC=C)CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M10 compound treatment 0.977 -0.0443 -1.28 0.977 -0.0465 -1.37 -1.8788 -0.9994 1306235 ChemDiv3_002034 CC(=O)Nc1cc2nc(N)sc2cc1NC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M11 compound treatment 0.988 -0.0333 -0.97 0.973 -0.0505 -1.49 -1.7372 -0.9778 3118758 ChemDiv3_002035 COc1ccc(/C=N/c2nc3ccccc3n2CCN4CCCCC4)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M12 compound treatment 1.209 0.188 5.44 1.182 0.159 4.69 7.158 0.9973 3021285 ChemDiv3_002036 CCOC(=O)c1sc(c(C#N)c1C)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M13 compound treatment 0.992 -0.0293 -0.85 1.004 -0.0195 -0.58 -1.0071 -0.982 1367535 ChemDiv3_002037 Brc1ccc(cc1)C(=O)NCC2OCCc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M14 compound treatment 0.983 -0.0383 -1.11 1.004 -0.0195 -0.58 -1.1914 -0.9532 3118759 ChemDiv3_002038 CN1C(=O)NC(=O)/C(=C\C=C\c2ccco2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M15 compound treatment 0.997 -0.0243 -0.7 1.013 -0.0105 -0.31 -0.7166 -0.9316 1234318 ChemDiv3_002039 CCOC(=O)c1c(NC(=S)NCC=C)sc2CCCCCc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M16 compound treatment 0.995 -0.0263 -0.76 1.013 -0.0105 -0.31 -0.7575 -0.921 1416446 ChemDiv3_002040 O=C1C2C3CC(C=C3)C2C(=O)N1CN4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M17 compound treatment 0.998 -0.0233 -0.68 1.002 -0.0215 -0.63 -0.9261 -0.9995 1311577 ChemDiv3_002041 O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M18 compound treatment 0.993 -0.0283 -0.82 1.008 -0.0155 -0.46 -0.903 -0.9618 3118760 ChemDiv3_002042 COC(=O)/C(=C/c1c[nH]c2ccccc12)/NC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M19 compound treatment 0.983 -0.0383 -1.11 0.993 -0.0305 -0.9 -1.4214 -0.9946 1397577 ChemDiv3_002043 Nc1c(nc2ccccn12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M20 compound treatment 1.025 0.00368 0.11 1.02 -0.00345 -0.1 0.0031 0.0213 3021354 ChemDiv3_002044 CCN1C(=O)/C(=C/C=C/c2ccco2)/C(=O)NC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M21 compound treatment 1.014 -0.00732 -0.21 0.988 -0.0355 -1.05 -0.8911 -0.8333 1484277 ChemDiv3_002045 O=C(C1CC1)N2c3ccccc3CCc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M22 compound treatment 1.171 0.15 4.33 1.126 0.103 3.03 5.2091 0.9847 3118761 ChemDiv3_002046 Cc1cccc2c1nc3s/c(=C/c4c[nH]nc4c5ccccc5)/c(=O)n32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M23 mock treatment 1.028 0.00668 0.19 1.024 5.48E-4 0.02 0.1482 0.7637 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 M24 mock treatment 0.995 -0.0263 -0.76 1.014 -0.00945 -0.28 -0.7366 -0.9073 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N01 compound treatment 0.988 -0.0333 -0.97 1.002 -0.0215 -0.63 -1.1309 -0.9793 3021358 ChemDiv3_002047 Fc1ccccc1N2C(=O)NC(=O)/C(=C\NCCC3=CCCCC3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N02 compound treatment 0.991 -0.0303 -0.88 0.983 -0.0405 -1.2 -1.4667 -0.9885 1546469 ChemDiv3_002048 OC(=O)c1ccccc1C(=O)OCCN2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N03 compound treatment 0.99 -0.0313 -0.91 0.995 -0.0285 -0.84 -1.2363 -0.9993 3021361 ChemDiv3_002049 Cn1cnnc1SCC(=O)NCc2cccc(c2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N04 compound treatment 0.994 -0.0273 -0.79 0.977 -0.0465 -1.37 -1.5307 -0.9657 1201390 ChemDiv3_002050 CC1C(NC(C(C)C1=O)c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N05 compound treatment 0.99 -0.0313 -0.91 0.998 -0.0255 -0.75 -1.1735 -0.9957 1193866 ChemDiv3_002051 OC(=O)c1c2CCCCc2nc3ccc(Br)cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N06 compound treatment 0.979 -0.0423 -1.23 0.98 -0.0435 -1.28 -1.7751 -0.9997 3118762 ChemDiv3_002052 CC(=O)OC1CCC2C3CCc4cc(OC(=O)C)c(Br)cc4C3CCC12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N07 compound treatment 0.991 -0.0303 -0.88 0.996 -0.0275 -0.81 -1.1949 -0.9992 1701950 ChemDiv3_002053 Fc1ccc(cc1)N2CCN(CC2)C(=O)Cc3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N08 compound treatment 1.021 -3.23E-4 -0.01 1.011 -0.0125 -0.37 -0.2669 -0.7248 3118763 ChemDiv3_002054 Cn1c(/N=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N09 compound treatment 1.012 -0.00932 -0.27 1.022 -0.00145 -0.04 -0.2213 -0.8093 3118764 ChemDiv3_002055 Cc1ccc(cc1)C2OCC3(CO2)COC(OC3)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N10 compound treatment 0.991 -0.0303 -0.88 0.983 -0.0405 -1.2 -1.4667 -0.9885 3021365 ChemDiv3_002056 Cc1ccc(cc1)S(=O)(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3)/C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N11 compound treatment 1.004 -0.0173 -0.5 1.007 -0.0165 -0.49 -0.6987 -0.9999 1540197 ChemDiv3_002057 COc1ccc2oc(C)c(C(=O)CSc3ccccc3)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N12 compound treatment 0.996 -0.0253 -0.73 0.992 -0.0315 -0.93 -1.1761 -0.9931 1543540 ChemDiv3_002058 CCCn1c(nc2ccccc12)C(O)c3ccc(cc3)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N13 compound treatment 0.954 -0.0673 -1.95 0.967 -0.0565 -1.67 -2.5589 -0.997 3118765 ChemDiv3_002059 CC(=O)/N=C(\N)/Nc1nc2ccccc2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N14 compound treatment 0.935 -0.0863 -2.5 0.928 -0.0955 -2.82 -3.7633 -0.9982 3021368 ChemDiv3_002060 O=C1OC(OC(=O)C1=Cc2cccs2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N15 compound treatment 1.254 0.233 6.74 1.28 0.257 7.59 10.1284 0.9983 1445360 ChemDiv3_002061 CN1c2ccccc2C(C)(C)C31Cc4cc(NS(=O)(=O)c5ccc(Cl)cc5)ccc4O3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N16 compound treatment 0.996 -0.0253 -0.73 1.002 -0.0215 -0.63 -0.967 -0.9974 3021615 ChemDiv3_002062 COc1cc2CC(C)(C)N/C(=N\N)/c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N17 compound treatment 0.99 -0.0313 -0.91 1.019 -0.00445 -0.13 -0.7345 -0.8013 3118766 ChemDiv3_002063 COc1ccccc1OCCn2cc(/C=C\3/SC(=S)N(CC=C)C3=O)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N18 compound treatment 0.993 -0.0283 -0.82 0.998 -0.0255 -0.75 -1.1121 -0.9991 1141689 ChemDiv3_002064 Nc1ccc2nc(NC(=O)C3(CC4CC5CC(C4)C3)C5)sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N19 compound treatment 1.069 0.0477 1.38 1.088 0.0645 1.91 2.3258 0.9874 3021663 ChemDiv3_002065 COc1ccc(/N=C/2\CCCc3ccccc3N2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N20 compound treatment 0.989 -0.0323 -0.94 1.016 -0.00745 -0.22 -0.8177 -0.8503 1293367 ChemDiv3_002066 COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(OC)cc3)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N21 compound treatment 1.007 -0.0143 -0.41 1.033 0.00955 0.28 -0.0937 -0.1867 1917815 ChemDiv3_002067 Clc1ccc(CSc2cn3CCCc3n2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N22 compound treatment 0.996 -0.0253 -0.73 0.991 -0.0325 -0.96 -1.197 -0.9912 3021666 ChemDiv3_002068 CC(C)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N23 mock treatment 0.956 -0.0653 -1.89 0.98 -0.0435 -1.28 -2.2461 -0.9822 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 N24 mock treatment 1.206 0.185 5.35 1.202 0.179 5.28 7.5147 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O01 compound treatment 1.007 -0.0143 -0.41 1.019 -0.00445 -0.13 -0.3864 -0.8879 3118767 ChemDiv3_002069 COc1cccc2s/c(=N/C(=O)c3ccccc3)/n(C)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O02 compound treatment 1.007 -0.0143 -0.41 1.033 0.00955 0.28 -0.0937 -0.1867 1397032 ChemDiv3_002070 Oc1cc(O)nc(SCC(=O)N2c3ccccc3Sc4ccccc24)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O03 compound treatment 0.975 -0.0463 -1.34 0.981 -0.0425 -1.26 -1.8361 -0.9994 3118768 ChemDiv3_002071 COc1cc(/C=C/C(=O)O)cc(c1OC)S(=O)(=O)N2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O04 compound treatment 1.037 0.0157 0.45 1.03 0.00655 0.19 0.458 0.9278 3021669 ChemDiv3_002072 O=C(/N=c/1\[nH]c(=O)c2ccccc2s1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O05 compound treatment 1.01 -0.0113 -0.33 1.009 -0.0145 -0.43 -0.534 -0.9915 3118769 ChemDiv3_002073 CN(C)/C(=N/S(=O)(=O)c1cc(C)ccc1C)/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O06 compound treatment 1.019 -0.00232 -0.07 1.029 0.00555 0.16 0.0684 0.386 3021673 ChemDiv3_002074 COc1ccc(cc1)C(=S)N2CCC(C)CC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O07 compound treatment 1.0 -0.0213 -0.62 1.014 -0.00945 -0.28 -0.6343 -0.9357 3118916 ChemDiv3_002075 Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N2CCC(CC2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O08 compound treatment 1.016 -0.00532 -0.15 1.04 0.0165 0.49 0.237 0.4619 3118917 ChemDiv3_002076 O=C/1N(C2=C(CCCC2)C(=O)\C1=C\Nc3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O09 compound treatment 1.009 -0.0123 -0.36 1.032 0.00855 0.25 -0.0736 -0.1684 1215882 ChemDiv3_002077 NNC(=O)CCn1c(c(c2ccccc2)c3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O10 compound treatment 0.99 -0.0313 -0.91 1.004 -0.0195 -0.58 -1.0481 -0.9758 1725909 ChemDiv3_002078 CC(=O)Nc1cc(NC(=O)C)c2nc(N)sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O11 compound treatment 1.003 -0.0183 -0.53 1.026 0.00255 0.08 -0.3219 -0.6007 3020973 ChemDiv3_002079 COc1cc(cc(OC)c1OC)C(=O)NN2CCN(C)CC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O12 compound treatment 1.017 -0.00432 -0.13 1.029 0.00555 0.16 0.0275 0.1332 1397238 ChemDiv3_002080 COc1cccc(c1)c2nc([nH]c2c3cccc(OC)c3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O13 compound treatment 1.02 -0.00132 -0.04 1.025 0.00155 0.05 0.0053 0.0886 1464925 ChemDiv3_002081 Cc1ccc(cc1)S(=O)(=O)NCC2OCCc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O14 compound treatment 1.014 -0.00732 -0.21 1.021 -0.00245 -0.07 -0.2012 -0.8978 1524063 ChemDiv3_002082 CC1(C)CC(=O)C2=C(C1)Oc3ccccc3C2CC(=O)c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O15 compound treatment 1.017 -0.00432 -0.13 1.021 -0.00245 -0.07 -0.1398 -0.9662 1607555 ChemDiv3_002083 CC(C)Oc1ccc(Cc2c(O)nc(SCc3ccccc3)nc2O)cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O16 compound treatment 1.039 0.0177 0.51 1.029 0.00555 0.16 0.478 0.8892 1471552 ChemDiv3_002084 Oc1ccc(NCN2C(=O)C3C4CC(C=C4)C3C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O17 compound treatment 1.052 0.0307 0.89 1.062 0.0385 1.14 1.4341 0.9924 1326920 ChemDiv3_002085 Brc1ccccc1CN2CCN(CC2)C(=O)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O18 compound treatment 1.137 0.116 3.35 1.148 0.125 3.68 4.9727 0.9989 3021020 ChemDiv3_002086 Nc1ccc2oc(=O)c(cc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O19 compound treatment 1.006 -0.0153 -0.44 1.021 -0.00245 -0.07 -0.365 -0.8118 1185960 ChemDiv3_002087 CCCCc1nn2c(=O)cc(O)nc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O20 compound treatment 1.015 -0.00632 -0.18 1.042 0.0185 0.55 0.2583 0.4468 1185069 ChemDiv3_002088 CSc1ccc(cc1)C2Nc3ccccc3C(=O)N2c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O21 compound treatment 0.997 -0.0243 -0.7 1.02 -0.00345 -0.1 -0.5702 -0.8012 3021024 ChemDiv3_002089 COc1ccc2c(C)nc(NC(=N)/N=C(\C)/c3ccccc3C(=O)O)nc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O22 compound treatment 1.138 0.117 3.38 1.168 0.145 4.27 5.4114 0.9932 3442330 ChemDiv3_002090 O=C1C2CC=CCC2C(=O)N1CNc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O23 mock treatment 1.091 0.0697 2.02 1.101 0.0775 2.29 3.0481 0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 O24 mock treatment 1.025 0.00368 0.11 1.023 -4.52E-4 -0.01 0.0659 0.6136 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P01 compound treatment 1.004 -0.0173 -0.5 1.006 -0.0175 -0.52 -0.7196 -0.9999 3118918 ChemDiv3_002091 CCN(CC)CCN/C=C/1\C(=O)NC(=O)N(C1=O)c2ccccc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P02 compound treatment 1.03 0.00868 0.25 1.017 -0.00645 -0.19 0.0428 0.1357 1679160 ChemDiv3_002092 CCOC(=O)C(C1CCCCC1)C(=O)Nc2ccc(cc2)N(CC)CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P03 compound treatment 1.009 -0.0123 -0.36 1.01 -0.0135 -0.4 -0.5336 -0.9985 3118919 ChemDiv3_002093 Fc1ccc(CN2C(=O)c3cccc4cccc2c34)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P04 compound treatment 1.039 0.0177 0.51 1.011 -0.0125 -0.37 0.1017 0.1613 3021032 ChemDiv3_002094 CCN(CC)CCSc1nc2ccccc2c(=S)n1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P05 compound treatment 0.993 -0.0283 -0.82 1.006 -0.0175 -0.52 -0.9449 -0.975 3118920 ChemDiv3_002095 Brc1cccc(/C=C/2\SC(=S)N(CC(=O)NCCc3ccccc3)C2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P06 compound treatment 1.016 -0.00532 -0.15 1.012 -0.0115 -0.34 -0.3484 -0.9365 3118921 ChemDiv3_002096 Oc1ccccc1c2nc(no2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P07 compound treatment 1.036 0.0147 0.43 1.048 0.0245 0.73 0.8138 0.9675 1122737 ChemDiv3_002097 C(c1ccccc1)n2c-3c(CCc4nonc43)c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P08 compound treatment 1.031 0.00968 0.28 1.034 0.0105 0.31 0.4187 0.9986 3118922 ChemDiv3_002098 CCOc1ccc2n(C)c(S)nc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P09 compound treatment 1.007 -0.0143 -0.41 1.012 -0.0115 -0.34 -0.5327 -0.9949 1696348 ChemDiv3_002099 Ic1cn(Cc2ccccc2)c(=O)n(Cc3ccccc3)c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P10 compound treatment 1.015 -0.00632 -0.18 1.01 -0.0135 -0.4 -0.4107 -0.938 3021064 ChemDiv3_002100 C=CCN1C(=O)/C(=C/2\SC(=NC2=O)N3CCCCC3)/c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P11 compound treatment 1.122 0.101 2.92 1.119 0.0955 2.83 4.0593 0.9999 1341945 ChemDiv3_002101 CC(=O)Oc1ccc(cc1)C(=O)N(C(=O)c2ccc(OC(=O)C)cc2)c3cc(C)ccn3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P12 compound treatment 1.013 -0.00832 -0.24 1.012 -0.0115 -0.34 -0.4098 -0.9861 1706099 ChemDiv3_002102 Brc1ccc(CNc2ccc3n(cnc3c2)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P13 compound treatment 1.03 0.00868 0.25 1.033 0.00955 0.28 0.3773 0.9983 3118923 ChemDiv3_002103 Cc1ccc(cc1)C(=O)/N=C(\N)/Nc2nc3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P14 compound treatment 0.98 -0.0413 -1.2 0.968 -0.0555 -1.64 -2.0055 -0.988 3118924 ChemDiv3_002104 Brc1cccc(c1)c2ccc(C=C3C(=O)OC(OC3=O)c4ccccc4)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P15 compound treatment 1.029 0.00768 0.22 1.027 0.00355 0.1 0.2314 0.9412 1477399 ChemDiv3_002105 Oc1ccc(NS(=O)(=O)c2ccccc2)cc1Sc3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P16 compound treatment 1.032 0.0107 0.31 1.005 -0.0185 -0.55 -0.1671 -0.2665 3118925 ChemDiv3_002106 CCOC(=O)/C(=N\O)/C1=NC2(CCCC2)Cc3cc(OC)c(OC)cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P17 compound treatment 1.031 0.00968 0.28 1.028 0.00455 0.13 0.2933 0.9434 3021069 ChemDiv3_002107 Fc1ccccc1CNn2c(nc3ccccc3c2=O)c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P18 compound treatment 1.0 -0.0213 -0.62 1.035 0.0115 0.34 -0.1952 -0.2767 1607792 ChemDiv3_002108 Cc1nc2ccccc2c(=O)n1NCc3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P19 compound treatment 1.011 -0.0103 -0.3 1.022 -0.00145 -0.04 -0.2417 -0.8004 3021070 ChemDiv3_002109 COc1ccc(CC/N=C\2/CCc3ccccc3N2)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P20 compound treatment 1.041 0.0197 0.57 1.031 0.00755 0.22 0.5608 0.9163 1449139 ChemDiv3_002110 CCC1CCCCN1Cc2c(O)ccc3cc(c4nc5ccccc5[nH]4)c(=O)oc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P21 compound treatment 1.013 -0.00832 -0.24 1.02 -0.00345 -0.1 -0.2426 -0.9268 3118926 ChemDiv3_002111 FC(F)(F)c1cccc(CNC=C2C(=O)CC(CC2=O)c3ccccc3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P22 compound treatment 1.015 -0.00632 -0.18 1.032 0.00855 0.25 0.0492 0.1578 1566538 ChemDiv3_002112 Cc1c(C)c2ccccc2n1CC(O)CNC3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P23 mock treatment 1.037 0.0157 0.45 1.036 0.0125 0.37 0.5834 0.995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2006 P24 mock treatment 1.035 0.0137 0.4 1.017 -0.00645 -0.19 0.1452 0.3303 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A01 compound treatment 1.02 -0.00524 -0.15 0.995 -0.0288 -0.85 -0.71 -0.8201 3118927 ChemDiv3_002113 OC(=O)/C=C/c1ccc(cc1)N2C(=O)CC(Cc3ccccc3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A02 compound treatment 0.983 -0.0422 -1.22 1.001 -0.0228 -0.67 -1.3423 -0.9607 3021074 ChemDiv3_002114 CN1C(=O)C(=Cc2ccccc2OCc3ccccc3)C(=O)N(C)C1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A03 compound treatment 1.001 -0.0242 -0.7 0.999 -0.0248 -0.73 -1.0155 -0.9998 1510568 ChemDiv3_002115 OCCN(CCO)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A04 compound treatment 1.005 -0.0202 -0.59 1.01 -0.0138 -0.41 -0.7036 -0.9845 1149803 ChemDiv3_002116 COc1cccc(c1)C(CC(=O)Nc2sc3CCCCc3c2C#N)NC(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A05 compound treatment 0.993 -0.0322 -0.93 1.006 -0.0178 -0.53 -1.033 -0.9634 1377802 ChemDiv3_002117 Clc1ccc2n(CCN(Cc3ccccc3)Cc4ccccc4)c5C(=O)CCCc5c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A06 compound treatment 0.984 -0.0412 -1.19 0.991 -0.0328 -0.97 -1.5309 -0.9947 1433002 ChemDiv3_002118 OC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c3ccccc13)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A07 compound treatment 0.976 -0.0492 -1.43 1.002 -0.0218 -0.65 -1.4647 -0.9357 1633409 ChemDiv3_002119 Cc1ccc2nc(oc2c1)c3cccc(NC(=O)C4CCCCC4)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A08 compound treatment 1.073 0.0478 1.38 1.05 0.0262 0.77 1.5252 0.9623 1233960 ChemDiv3_002120 CC1=C(C(C2=C(CCCC2=O)N1)c3ccsc3)C(=O)Nc4cccc(C)n4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A09 compound treatment 1.001 -0.0242 -0.7 1.005 -0.0188 -0.56 -0.89 -0.9934 1227263 ChemDiv3_002121 Cc1cc2nn(nc2cc1NC(=O)c3ccco3)c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A10 compound treatment 0.989 -0.0362 -1.05 1.003 -0.0208 -0.62 -1.1776 -0.9677 3021113 ChemDiv3_002122 Cc1ccccc1C(=O)Nc2cccc(NC(=O)c3ccc(o3)c4ccc(Cl)cc4Cl)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A11 compound treatment 1.005 -0.0202 -0.59 0.995 -0.0288 -0.85 -1.0172 -0.9833 1332760 ChemDiv3_002123 CCC(C)C1NC(=S)N(C2CCCCC2)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A12 compound treatment 1.003 -0.0222 -0.64 0.989 -0.0348 -1.03 -1.1836 -0.9745 3021114 ChemDiv3_002124 COc1ccc(/C=C/2\SC(=N)N(C2=O)c3ccc(OC)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A13 compound treatment 0.986 -0.0392 -1.14 0.996 -0.0278 -0.82 -1.3854 -0.9874 1163749 ChemDiv3_002125 CCOC(=O)c1ccc(Nc2c(cnc3ccccc23)C(=O)OCC)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A14 compound treatment 0.997 -0.0282 -0.82 0.992 -0.0318 -0.94 -1.2437 -0.9976 1674789 ChemDiv3_002126 CNC(=S)N1N=C(CC1c2cc3ccc(C)cc3nc2Cl)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A15 compound treatment 1.014 -0.0112 -0.33 1.006 -0.0178 -0.53 -0.6029 -0.9732 1554243 ChemDiv3_002127 Nc1c2CCN(C3CCCCC3)c2nc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A16 compound treatment 1.046 0.0208 0.6 1.036 0.0122 0.36 0.6796 0.9699 1450773 ChemDiv3_002128 COc1ccc(Nc2cc(C)nc(n2)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A17 compound treatment 1.023 -0.00224 -0.06 1.03 0.00617 0.18 0.0831 0.4292 3119066 ChemDiv3_002129 CCC(CC)C(=O)N1c2ccccc2CCc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A18 compound treatment 1.029 0.00376 0.11 1.045 0.0212 0.63 0.5196 0.8178 3021118 ChemDiv3_002130 CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c3cccs3)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A19 compound treatment 1.011 -0.0142 -0.41 1.006 -0.0178 -0.53 -0.6644 -0.9926 3119067 ChemDiv3_002131 CCc1cccc(C)c1n2c(C)cc(/C=C/3\C(=O)NC(=S)N(C3=O)c4ccccc4F)c2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A20 compound treatment 1.021 -0.00424 -0.12 0.997 -0.0268 -0.79 -0.6477 -0.807 1725478 ChemDiv3_002132 COC(=O)c1c(C)c(C)sc1NC(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A21 compound treatment 1.009 -0.0162 -0.47 1.001 -0.0228 -0.67 -0.8098 -0.9844 1568777 ChemDiv3_002133 Cc1ccccc1NC2SC(=O)N(Cc3ccccc3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A22 compound treatment 1.009 -0.0162 -0.47 1.02 -0.00383 -0.11 -0.4126 -0.8529 1274453 ChemDiv3_002134 O=C(CSc1nc2ccccc2[nH]1)n3c4ccccc4c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A23 mock treatment 1.048 0.0228 0.66 1.061 0.0372 1.1 1.2432 0.9701 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 A24 mock treatment 0.992 -0.0332 -0.96 0.999 -0.0248 -0.73 -1.1998 -0.991 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B01 compound treatment 0.996 -0.0292 -0.85 0.989 -0.0348 -1.03 -1.3269 -0.9953 1368128 ChemDiv3_002135 COc1ccc(cc1)S(=O)(=O)N2CCC(C)CC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B02 compound treatment 1.015 -0.0102 -0.3 0.985 -0.0388 -1.15 -1.0215 -0.8615 1240761 ChemDiv3_002136 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2C(=O)c3cccc4cccc2c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B03 compound treatment 1.0 -0.0252 -0.73 1.001 -0.0228 -0.67 -0.9941 -0.9992 1428491 ChemDiv3_002137 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc2cccnc2)c3cc(C)cc(C)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B04 compound treatment 0.974 -0.0512 -1.48 0.959 -0.0648 -1.92 -2.4047 -0.992 3119068 ChemDiv3_002138 CN(C)/C=C\1/C=C(N(C)C1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B05 compound treatment 0.986 -0.0392 -1.14 0.997 -0.0268 -0.79 -1.3645 -0.9845 3021126 ChemDiv3_002139 CN1CCN(CC1)C(=O)CCN2C(=O)/C(=C/C(=C/c3ccccc3)/C)/SC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B06 compound treatment 1.001 -0.0242 -0.7 1.013 -0.0108 -0.32 -0.7228 -0.9368 1461034 ChemDiv3_002140 CCOc1ccc(OC(=O)c2sc3ncn(CC)c(=O)c3c2C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B07 compound treatment 1.024 -0.00124 -0.04 1.019 -0.00483 -0.14 -0.1263 -0.8584 1139126 ChemDiv3_002141 CCOc1ccc(cc1)C2Nc3ccccc3NC4=C2C(=O)CCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B08 compound treatment 1.086 0.0608 1.76 1.088 0.0642 1.9 2.5859 0.9993 3021956 ChemDiv3_002142 CCn1c(C(=O)O)c(CC(=O)NC2CCCCCC2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B09 compound treatment 0.991 -0.0342 -0.99 1.009 -0.0148 -0.44 -1.0112 -0.9326 1733689 ChemDiv3_002143 CC(=O)Nc1ccc(cc1)n2sc3c(-c4cc(C)ccc4NC3(C)C)c2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B10 compound treatment 0.998 -0.0272 -0.79 0.979 -0.0448 -1.33 -1.495 -0.9693 1697535 ChemDiv3_002144 OC(=O)CCNc1nc(c2ccccc2)c3cc(Br)ccc3n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B11 compound treatment 1.001 -0.0242 -0.7 0.998 -0.0258 -0.76 -1.0364 -0.9991 3021957 ChemDiv3_002145 OC1(CC(=O)/C=C/C=C/c2ccccc2)C(=O)Nc3ccc(Br)cc31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B12 compound treatment 1.077 0.0518 1.5 1.121 0.0972 2.87 3.0915 0.954 3119069 ChemDiv3_002146 CC(=O)N1N=C(CC1c2ccco2)c3c(c4ccccc4)c5cc(Cl)ccc5[nH]c3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B13 compound treatment 1.055 0.0298 0.86 1.043 0.0192 0.57 1.0102 0.9793 3021958 ChemDiv3_002147 CCn1c(SCCOc2ccc(OC)cc2)nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B14 compound treatment 1.125 0.0998 2.89 1.126 0.102 3.02 4.179 0.9998 3119070 ChemDiv3_002148 C(/N=C\c1cn(nc1c2cccs2)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B15 compound treatment 1.117 0.0918 2.66 1.121 0.0972 2.87 3.9106 0.9992 1197683 ChemDiv3_002149 Fc1ccc(CN2C(=O)C3C4C=CC(C3C2=O)C54CC5)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B16 compound treatment 0.989 -0.0362 -1.05 0.988 -0.0358 -1.06 -1.4912 -1.0 3021959 ChemDiv3_002150 CC[n+]1c(C)n(c2ccccc2)c3ccc(N)cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B17 compound treatment 1.029 0.00376 0.11 1.008 -0.0158 -0.47 -0.2539 -0.5285 3021960 ChemDiv3_002151 CCC1(O)CC(=NN1C(=O)c2ccccc2)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B18 compound treatment 0.99 -0.0352 -1.02 1.009 -0.0148 -0.44 -1.0317 -0.9288 3119071 ChemDiv3_002152 CNC(=O)CSc1nc2ccccc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B19 compound treatment 1.058 0.0328 0.95 1.064 0.0402 1.19 1.5107 0.9938 3119072 ChemDiv3_002153 NS(=O)(=O)c1ccc(cc1)n2cccc2/C=C\3/C(=O)NN(C3=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B20 compound treatment 1.027 0.00176 0.05 1.018 -0.00583 -0.17 -0.0858 -0.4777 3021961 ChemDiv3_002154 COc1cccc(/C=C\2/S\C(=N\c3ccccc3)\N(CCc4ccccc4)C2=O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B21 compound treatment 1.086 0.0608 1.76 1.081 0.0572 1.69 2.4395 0.9998 3119073 ChemDiv3_002155 S=C1NCCN1CCOc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B22 compound treatment 1.011 -0.0142 -0.41 0.991 -0.0328 -0.97 -0.9779 -0.9273 3119074 ChemDiv3_002156 Cc1ccc(cc1)C2(CC/N=C/c3ccccc3)CCOC(C)(C)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B23 mock treatment 1.044 0.0188 0.54 1.028 0.00417 0.12 0.4714 0.8461 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 B24 mock treatment 1.024 -0.00124 -0.04 0.991 -0.0328 -0.97 -0.7117 -0.7328 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C01 compound treatment 1.03 0.00476 0.14 1.023 -8.28E-4 -0.02 0.0801 0.5726 1621129 ChemDiv3_002157 Clc1ccc(CC2CC(=O)N(C2=O)c3ccccn3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C02 compound treatment 1.026 7.59E-4 0.02 1.022 -0.00183 -0.05 -0.0227 -0.3887 3119075 ChemDiv3_002158 Brc1ccc(cc1)N2C(=O)/C(=C/c3ccsc3)/C(=O)NC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C03 compound treatment 1.013 -0.0122 -0.35 1.016 -0.00783 -0.23 -0.4143 -0.9786 3021962 ChemDiv3_002159 C/N=C\1/S/C(=C/c2cccc(F)c2)/C(=O)N1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C04 compound treatment 1.068 0.0428 1.24 1.065 0.0412 1.22 1.7364 1.0 1725073 ChemDiv3_002160 CC(C)c1nnc(NC(=O)CC(NC(=O)c2ccccc2)c3ccccc3)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C05 compound treatment 1.001 -0.0242 -0.7 1.01 -0.0138 -0.41 -0.7855 -0.9669 3021963 ChemDiv3_002161 Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C06 compound treatment 1.008 -0.0172 -0.5 1.012 -0.0118 -0.35 -0.6003 -0.9848 1564247 ChemDiv3_002162 CCN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C07 compound treatment 1.024 -0.00124 -0.04 1.019 -0.00483 -0.14 -0.1263 -0.8584 1559748 ChemDiv3_002163 O=C(NC(=S)Nc1ccc(Nc2ccccc2)cc1)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C08 compound treatment 1.02 -0.00524 -0.15 1.018 -0.00583 -0.17 -0.2292 -0.998 3119076 ChemDiv3_002164 Cc1ccc(cc1)C(=O)C2=C(N)OC3=C(C2c4ccccc4)C(=O)CC(C)(C)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C09 compound treatment 1.052 0.0268 0.77 1.063 0.0392 1.16 1.3669 0.9809 1631117 ChemDiv3_002165 CCOc1ccc(cc1Br)C(=O)Nc2c(C)ccc3nsnc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C10 compound treatment 1.032 0.00676 0.2 1.043 0.0192 0.57 0.5392 0.8992 1544235 ChemDiv3_002166 COc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C11 compound treatment 1.034 0.00876 0.25 1.018 -0.00583 -0.17 0.0575 0.1876 3119077 ChemDiv3_002167 CCC(C)C1NC(=S)N(CC=C)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C12 compound treatment 1.062 0.0368 1.06 1.062 0.0382 1.13 1.5508 0.9996 1523871 ChemDiv3_002168 Cc1ccccc1OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C13 compound treatment 1.021 -0.00424 -0.12 1.022 -0.00183 -0.05 -0.1251 -0.932 1635423 ChemDiv3_002169 CCOC(=O)c1cnc2ccccc2c1NCCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C14 compound treatment 1.008 -0.0172 -0.5 1.009 -0.0148 -0.44 -0.6631 -0.9979 3021964 ChemDiv3_002170 O=C(CSc1nnc[nH]1)c2cccs2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C15 compound treatment 1.011 -0.0142 -0.41 1.011 -0.0128 -0.38 -0.5598 -0.9991 1920176 ChemDiv3_002171 CN(C)/C(=N/c1c2CCN(C)c2nc3ccccc13)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C16 compound treatment 1.06 0.0348 1.01 1.077 0.0532 1.57 1.8234 0.9768 1612181 ChemDiv3_002172 Cc1ccc(cc1)c2nc3n(ncc3c(=O)n2c4cccc(C)c4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C17 compound treatment 1.043 0.0178 0.51 1.076 0.0522 1.54 1.4544 0.8945 1493219 ChemDiv3_002173 Cc1ncc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)c(C)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C18 compound treatment 1.018 -0.00724 -0.21 1.031 0.00717 0.21 0.0017 0.0056 3021965 ChemDiv3_002174 Brc1cccc(c1)C2Nc3ccccc3NC4=C2C(=O)CCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C19 compound treatment 1.034 0.00876 0.25 1.038 0.0142 0.42 0.4757 0.9711 3119078 ChemDiv3_002175 C=CCNS(=O)(=O)c1cccc2nonc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C20 compound treatment 1.032 0.00676 0.2 1.04 0.0162 0.48 0.4765 0.9223 3021966 ChemDiv3_002176 Cc1ccc(cc1)c2onc3ccc(Cl)cc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C21 compound treatment 0.867 -0.158 -4.58 0.875 -0.149 -4.4 -6.352 -0.9998 1656889 ChemDiv3_002177 COc1ccc(NC2SC(=O)N(Cc3ccccc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C22 compound treatment 1.033 0.00776 0.22 1.024 1.72E-4 0.01 0.1625 0.723 1674086 ChemDiv3_002178 CC1CC(N(c2ccccc2)S(=O)(=O)c3ccc(C)cc3)c4ccccc4N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C23 mock treatment 1.031 0.00576 0.17 1.034 0.0102 0.3 0.3306 0.9613 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 C24 mock treatment 1.028 0.00276 0.08 1.044 0.0202 0.6 0.4782 0.7947 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D01 compound treatment 1.014 -0.0112 -0.33 1.012 -0.0118 -0.35 -0.4775 -0.9994 1647021 ChemDiv3_002179 COc1ccc(OCC(=O)NCc2ccco2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D02 compound treatment 1.033 0.00776 0.22 1.013 -0.0108 -0.32 -0.0675 -0.1725 3021967 ChemDiv3_002180 Brc1ccc(cc1)S(=O)(=O)N2C(=O)c3cccc4cccc2c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D03 compound treatment 1.026 7.59E-4 0.02 1.019 -0.00483 -0.14 -0.0854 -0.5913 1147332 ChemDiv3_002181 CCC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D04 compound treatment 1.025 -2.41E-4 -0.01 1.02 -0.00383 -0.11 -0.085 -0.7494 1364711 ChemDiv3_002182 OC(=O)CC1N(COC1=O)C(=O)OCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D05 compound treatment 1.011 -0.0142 -0.41 1.018 -0.00583 -0.17 -0.4135 -0.925 3119079 ChemDiv3_002183 C/C(=C\c1ccccc1)/C=C/2\SC(=S)N(CCC(=O)Nc3ccc(O)c(c3)C(=O)O)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D06 compound treatment 1.02 -0.00524 -0.15 1.011 -0.0128 -0.38 -0.3755 -0.9192 1738589 ChemDiv3_002184 CCOC(=O)c1sc2nc(C)nc(N3CCC(C)CC3)c2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D07 compound treatment 1.012 -0.0132 -0.38 1.021 -0.00283 -0.08 -0.3303 -0.8415 1640618 ChemDiv3_002185 CCCCC(=O)N1C(C2=C(CCCC2=O)Nc3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D08 compound treatment 1.042 0.0168 0.49 1.055 0.0312 0.92 0.9949 0.9551 3119215 ChemDiv3_002186 CCCN(C(=O)Cc1c(C(=O)O)n(CC)c2ccccc12)c3cccc(Cl)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D09 compound treatment 1.033 0.00776 0.22 1.029 0.00517 0.15 0.267 0.9824 1463910 ChemDiv3_002187 O=C(COc1cccc2ccccc12)N3c4ccccc4CCc5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D10 compound treatment 1.023 -0.00224 -0.06 1.009 -0.0148 -0.44 -0.3559 -0.8031 1205495 ChemDiv3_002188 CC(=O)N1CCN(CC1)c2nc(c3ccccc3)c4ccccc4n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D11 compound treatment 1.015 -0.0102 -0.3 1.023 -8.28E-4 -0.02 -0.227 -0.7628 3021968 ChemDiv3_002189 Cc1sc2NC(NC(=O)c2c1C)c3cccc(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D12 compound treatment 1.011 -0.0142 -0.41 1.004 -0.0198 -0.59 -0.7062 -0.9852 1323939 ChemDiv3_002190 COc1ccc(cc1OC)C2=NN(C(C2)c3ccccc3)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D13 compound treatment 1.051 0.0258 0.75 1.047 0.0232 0.69 1.0119 0.9991 1162446 ChemDiv3_002191 Brc1cc(Br)c2OC3(CCCCCC3=Cc2c1)N4CCOCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D14 compound treatment 1.032 0.00676 0.2 1.022 -0.00183 -0.05 0.1002 0.4934 3119216 ChemDiv3_002192 O=c1oc2ccccc2cc1c3nn(cc3/C=N\Cc4ccccc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D15 compound treatment 0.984 -0.0412 -1.19 0.987 -0.0368 -1.09 -1.6145 -0.9989 1687509 ChemDiv3_002193 O=C1C2C3C=CC(C2C(=O)N1C4CCCCC4)C53CC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D16 compound treatment 1.019 -0.00624 -0.18 1.015 -0.00883 -0.26 -0.3124 -0.9839 3021969 ChemDiv3_002194 CC(=O)N1CCN(CCNC=C2C(=O)CC(CC2=O)c3ccccc3)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D17 compound treatment 1.027 0.00176 0.05 1.023 -8.28E-4 -0.02 0.0187 0.3312 1716478 ChemDiv3_002195 CC1=NN(C(=O)c2ccccc2)C(O)(C1)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D18 compound treatment 1.021 -0.00424 -0.12 1.08 0.0562 1.66 1.0875 0.653 3119217 ChemDiv3_002196 CCC(=O)/N=C/1\NC(=O)\C(=C\c2cn(nc2c3ccccc3)C(=O)CC)\S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D19 compound treatment 1.085 0.0598 1.73 1.076 0.0522 1.54 2.3145 0.9984 3021970 ChemDiv3_002197 NS(=O)(=O)c1ccc(cc1)n2cccc2/C=N/c3sc4CCCCc4c3C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D20 compound treatment 1.04 0.0148 0.43 1.026 0.00217 0.06 0.3476 0.8043 1437077 ChemDiv3_002198 O=C1C2C3CC(C=C3)C2C(=O)N1Cc4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D21 compound treatment 1.032 0.00676 0.2 1.031 0.00717 0.21 0.2884 0.9992 1281954 ChemDiv3_002199 COc1cc2CC[N+](C)(C)C3Cc4cccc(OC)c4-c(c1O)c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D22 compound treatment 0.984 -0.0412 -1.19 0.978 -0.0458 -1.35 -1.8026 -0.998 1714344 ChemDiv3_002200 O=C(CC(c1ccccc1)c2ccccc2)N3CCc4ccccc4C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D23 mock treatment 0.985 -0.0402 -1.17 0.973 -0.0508 -1.5 -1.8867 -0.9921 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 D24 mock treatment 1.032 0.00676 0.2 1.03 0.00617 0.18 0.2674 0.9994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E01 compound treatment 1.035 0.00976 0.28 1.023 -8.28E-4 -0.02 0.1825 0.6435 3021971 ChemDiv3_002201 CC(C)OC(=O)CSc1nc2ccccc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E02 compound treatment 1.034 0.00876 0.25 1.028 0.00417 0.12 0.2666 0.9452 1589754 ChemDiv3_002202 COc1cccc2c1NC3CC(C)CCC3C2(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E03 compound treatment 1.038 0.0128 0.37 1.034 0.0102 0.3 0.4739 0.9948 3119218 ChemDiv3_002203 COc1cc(ccc1O)c2nc3ccccn3c2/N=C/c4sccc4C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E04 compound treatment 1.01 -0.0152 -0.44 1.019 -0.00483 -0.14 -0.413 -0.8904 1535223 ChemDiv3_002204 Brc1cccc(CN2CCN(Cc3cccc(Br)c3)CC2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E05 compound treatment 1.017 -0.00824 -0.24 1.007 -0.0168 -0.5 -0.5206 -0.9434 1399010 ChemDiv3_002205 Cc1cc(C)cc(c1)N2C(=O)CC(=O)NC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E06 compound treatment 1.025 -2.41E-4 -0.01 1.022 -0.00183 -0.05 -0.0432 -0.792 3021972 ChemDiv3_002206 CC1CCN(CC1)C(=O)CN(c2ccc(Cl)c(c2)C(F)(F)F)S(=O)(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E07 compound treatment 1.024 -0.00124 -0.04 1.014 -0.00983 -0.29 -0.2309 -0.7886 1189059 ChemDiv3_002207 COc1cccc(NC(=O)c2ccc(o2)c3cccc(Cl)c3C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E08 compound treatment 1.094 0.0688 1.99 1.086 0.0622 1.84 2.7079 0.9992 1646198 ChemDiv3_002208 Brc1ccc2oc(=O)c(cc2c1)C(=O)Oc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E09 compound treatment 1.022 -0.00324 -0.09 1.026 0.00217 0.06 -0.021 -0.1843 1318523 ChemDiv3_002209 O=C(COc1ccc(cc1)C2N(Cc3ccccc3)CCN2Cc4ccccc4)N5CCOCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E10 compound treatment 1.035 0.00976 0.28 1.019 -0.00483 -0.14 0.0989 0.3124 1328238 ChemDiv3_002210 CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c2ccccc2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E11 compound treatment 1.053 0.0278 0.8 1.039 0.0152 0.45 0.8857 0.962 1707569 ChemDiv3_002211 Oc1ccc(CC2NC(=S)N(CC=C)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E12 compound treatment 1.047 0.0218 0.63 1.056 0.0322 0.95 1.1182 0.98 1283056 ChemDiv3_002212 O=C(Cc1ccccc1)Nc2ccc(NC(=O)c3cccs3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E13 compound treatment 1.01 -0.0152 -0.44 1.006 -0.0178 -0.53 -0.6848 -0.9961 1392332 ChemDiv3_002213 CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCc4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E14 compound treatment 1.053 0.0278 0.8 1.072 0.0482 1.42 1.5756 0.9634 1615395 ChemDiv3_002214 OC(CNC1CCCCC1)CN2c3ccccc3Sc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E15 compound treatment 1.0 -0.0252 -0.73 1.01 -0.0138 -0.41 -0.806 -0.9623 1627368 ChemDiv3_002215 CCN(CC)c1nc2ccccc2c(N)c1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E16 compound treatment 1.051 0.0258 0.75 1.044 0.0202 0.6 0.9492 0.9939 1196972 ChemDiv3_002216 Cc1cccc(c1)c2nc3n(ncc3c(=O)n2c4ccccc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E17 compound treatment 1.042 0.0168 0.49 1.023 -8.28E-4 -0.02 0.3259 0.6706 3119219 ChemDiv3_002217 Cc1ccc(SCC(=O)N2CCc3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E18 compound treatment 1.016 -0.00924 -0.27 1.011 -0.0128 -0.38 -0.4574 -0.9854 1517561 ChemDiv3_002218 CN(C)c1ccc(cc1)C2N(C(=O)C)c3ccccc3NC4=C2C(=O)CCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E19 compound treatment 1.035 0.00976 0.28 1.027 0.00317 0.09 0.2662 0.8938 1410787 ChemDiv3_002219 CC(NC(=O)c1ccc(cc1)C2(CC3CC4CC(C3)C2)C4)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E20 compound treatment 1.036 0.0108 0.31 1.04 0.0162 0.48 0.5584 0.9785 3022027 ChemDiv3_002220 CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccccc3)/C2=N)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E21 compound treatment 1.037 0.0118 0.34 1.033 0.00917 0.27 0.4326 0.9936 3022028 ChemDiv3_002221 CCOc1ccc2ccccc2c1C=C3C(=O)N(C)C(=S)N(C)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E22 compound treatment 1.024 -0.00124 -0.04 1.019 -0.00483 -0.14 -0.1263 -0.8584 3022029 ChemDiv3_002222 COc1ccc2c(C)nc(N/C(=N/S(=O)(=O)c3ccc(C)cc3)/N)nc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E23 mock treatment 1.163 0.138 3.99 1.146 0.122 3.61 5.3753 0.9988 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 E24 mock treatment 1.048 0.0228 0.66 1.062 0.0382 1.13 1.2641 0.9672 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F01 compound treatment 1.025 -2.41E-4 -0.01 1.022 -0.00183 -0.05 -0.0432 -0.792 1265045 ChemDiv3_002223 CC(C)C(NC(=O)c1ccc(CN2CCN(CC2)c3ccccc3)cc1)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F02 compound treatment 1.03 0.00476 0.14 1.014 -0.00983 -0.29 -0.108 -0.3359 1158625 ChemDiv3_002224 CSc1ccccc1N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F03 compound treatment 1.024 -0.00124 -0.04 1.016 -0.00783 -0.23 -0.1891 -0.8073 3022030 ChemDiv3_002225 COc1ccc(cc1Br)C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F04 compound treatment 0.977 -0.0482 -1.4 0.981 -0.0428 -1.27 -1.8833 -0.9988 1652806 ChemDiv3_002226 CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F05 compound treatment 1.0 -0.0252 -0.73 1.013 -0.0108 -0.32 -0.7433 -0.9314 1567261 ChemDiv3_002227 CCCCC(N1C(=O)c2ccccc2C1=O)C(=O)Nc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F06 compound treatment 1.024 -0.00124 -0.04 1.008 -0.0158 -0.47 -0.3563 -0.7592 1434565 ChemDiv3_002228 CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(CC3)c4ccc(F)cc4)c(C)c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F07 compound treatment 1.048 0.0228 0.66 1.025 0.00117 0.03 0.4906 0.7433 1364533 ChemDiv3_002229 CCCC(=O)N1C(C2=C(CCCC2=O)Nc3ccccc13)c4ccc(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F08 compound treatment 1.018 -0.00724 -0.21 1.018 -0.00583 -0.17 -0.2701 -0.9952 3022031 ChemDiv3_002230 FC(F)(F)c1ccc(NC(=O)c2cnc(N3CCN(CC3)c4ccccn4)c5ccccc25)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F09 compound treatment 1.032 0.00676 0.2 1.035 0.0112 0.33 0.372 0.9688 3119220 ChemDiv3_002231 Cc1cccc(c1)c2nc3sc4CCCCc4c3c(=O)[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F10 compound treatment 1.025 -2.41E-4 -0.01 1.118 0.0942 2.78 1.9639 0.7053 1563308 ChemDiv3_002232 CC(=O)N1CCN(CC(O)COc2ccc(C)cc2)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F11 compound treatment 1.014 -0.0112 -0.33 1.014 -0.00983 -0.29 -0.4357 -0.9984 3119221 ChemDiv3_002233 CCc1ccc(NC(=S)NC(=O)c2cccs2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F12 compound treatment 0.986 -0.0392 -1.14 1.014 -0.00983 -0.29 -1.0091 -0.8602 1611026 ChemDiv3_002234 Cn1c(SCC(=O)NC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F13 compound treatment 1.026 7.59E-4 0.02 1.025 0.00117 0.03 0.04 0.9758 3119222 ChemDiv3_002235 Cc1cc(C)c(OCC(=O)Nc2cc(ccc2C)c3nc4ncccc4o3)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F14 compound treatment 1.059 0.0338 0.98 1.053 0.0292 0.86 1.3012 0.998 3119223 ChemDiv3_002236 O/N=C/c1cn(nc1c2cc3c(ccc4ccccc43)oc2=O)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F15 compound treatment 1.024 -0.00124 -0.04 1.026 0.00217 0.06 0.02 0.2717 1487132 ChemDiv3_002237 COc1ccc(CCNC(=O)C2CC2(c3ccc(C)cc3)c4ccc(C)cc4)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F16 compound treatment 0.985 -0.0402 -1.17 0.995 -0.0288 -0.85 -1.4268 -0.9882 3119224 ChemDiv3_002238 Fc1ccc(/C=C\2/C(=N)N3N=C(SC3=NC2=O)C(F)(F)F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F17 compound treatment 1.037 0.0118 0.34 1.057 0.0332 0.98 0.9343 0.8999 1544507 ChemDiv3_002239 CC1=NN(C(=O)CCc2ccccc2)C(O)(C1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F18 compound treatment 0.997 -0.0282 -0.82 1.03 0.00617 0.18 -0.4493 -0.5361 1669701 ChemDiv3_002240 CC(=O)OCCn1c(=O)c2ccccc2c3ccccc3c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F19 compound treatment 1.038 0.0128 0.37 1.031 0.00717 0.21 0.4112 0.9653 1368563 ChemDiv3_002241 C(NCC1COc2ccccc2O1)C3COc4ccccc4O3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F20 compound treatment 1.031 0.00576 0.17 1.033 0.00917 0.27 0.3097 0.9727 1013523 ChemDiv3_002242 OCCN1C(=O)C2C3CC(C=C3)C2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F21 compound treatment 1.019 -0.00624 -0.18 1.025 0.00117 0.03 -0.1033 -0.5613 1161064 ChemDiv3_002243 C[N+]1(C)C2CCC1CC(C2)OC(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F22 compound treatment 1.16 0.135 3.9 1.149 0.125 3.7 5.3765 0.9996 1523557 ChemDiv3_002244 C=CCN(CC=C)C(=O)c1cc(nc2ccccc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F23 mock treatment 1.023 -0.00224 -0.06 1.021 -0.00283 -0.08 -0.105 -0.9922 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 F24 mock treatment 1.083 0.0578 1.67 1.08 0.0562 1.66 2.3572 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G01 compound treatment 1.024 -0.00124 -0.04 1.018 -0.00583 -0.17 -0.1473 -0.8366 1293446 ChemDiv3_002245 CC(C(Cc1ccc(C)cc1)C(=O)O)C(=O)Nc2ccc(F)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G02 compound treatment 1.014 -0.0112 -0.33 1.006 -0.0178 -0.53 -0.6029 -0.9732 3022032 ChemDiv3_002246 CC1=CCC2CC1C(OC2(C)C)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G03 compound treatment 1.011 -0.0142 -0.41 0.994 -0.0298 -0.88 -0.9152 -0.9401 3119356 ChemDiv3_002247 CC(=O)/N=C/1\NC(=O)\C(=C\c2cccc(Oc3ccccc3)c2)\S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G04 compound treatment 1.017 -0.00824 -0.24 1.027 0.00317 0.09 -0.1024 -0.3995 1516568 ChemDiv3_002248 COc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G05 compound treatment 1.052 0.0268 0.77 1.04 0.0162 0.48 0.8861 0.9731 1531272 ChemDiv3_002249 Cc1cc(Br)ccc1N2C(=O)CC(=O)NC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G06 compound treatment 1.028 0.00276 0.08 1.018 -0.00583 -0.17 -0.0653 -0.3441 3119357 ChemDiv3_002250 COc1cc[n+](OC(=O)N2CCCCC2)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G07 compound treatment 1.04 0.0148 0.43 1.034 0.0102 0.3 0.5149 0.9852 1356975 ChemDiv3_002251 Clc1ccc(CC(=O)Nc2cccc(c2)c3nc4ccccc4o3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G08 compound treatment 1.047 0.0218 0.63 1.024 1.72E-4 0.01 0.4492 0.7128 3119358 ChemDiv3_002252 CCCOC(=O)c1cc2ccccc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G09 compound treatment 1.006 -0.0192 -0.56 1.003 -0.0208 -0.62 -0.8295 -0.9988 1339458 ChemDiv3_002253 COc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1NC(=O)c3cc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G10 compound treatment 1.014 -0.0112 -0.33 0.998 -0.0258 -0.76 -0.7702 -0.9278 3022033 ChemDiv3_002254 CC(Cc1ccccc1)N/C=C/2\C(=NN(C2=S)c3ccccc3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G11 compound treatment 1.005 -0.0202 -0.59 1.01 -0.0138 -0.41 -0.7036 -0.9845 3119359 ChemDiv3_002255 CCCc1nnc2SCC(=Nn12)c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G12 compound treatment 0.989 -0.0362 -1.05 1.013 -0.0108 -0.32 -0.9685 -0.8826 1382239 ChemDiv3_002256 Cc1cccc(c1)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G13 compound treatment 1.004 -0.0212 -0.62 1.017 -0.00683 -0.2 -0.5777 -0.8923 1237291 ChemDiv3_002257 CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCC(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G14 compound treatment 0.998 -0.0272 -0.79 1.004 -0.0198 -0.59 -0.9724 -0.9893 1277435 ChemDiv3_002258 Cc1ccc(NCC(O)CN2c3ccccc3Sc4ccccc24)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G15 compound treatment 1.043 0.0178 0.51 1.047 0.0232 0.69 0.8481 0.99 1281377 ChemDiv3_002259 CCN(CC)CCN1C(Nc2ccccc2C1=O)c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G16 compound treatment 1.016 -0.00924 -0.27 1.003 -0.0208 -0.62 -0.6247 -0.9304 3119360 ChemDiv3_002260 CCn1cc(c2ccc3ccccc3n2)c(=S)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G17 compound treatment 1.024 -0.00124 -0.04 1.018 -0.00583 -0.17 -0.1473 -0.8366 3022034 ChemDiv3_002261 Clc1ccc(SCC(=O)N2CCc3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G18 compound treatment 1.021 -0.00424 -0.12 1.017 -0.00683 -0.2 -0.2296 -0.9716 1146503 ChemDiv3_002262 CC(=O)N1C(C2=C(CCCC2=O)Nc3ccccc13)c4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G19 compound treatment 1.023 -0.00224 -0.06 1.044 0.0202 0.6 0.3758 0.6264 3022035 ChemDiv3_002263 Oc1ccc(/C=C\2/C(=O)NC(=S)N(CC=C)C2=O)cc1Br 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G20 compound treatment 1.028 0.00276 0.08 1.023 -8.28E-4 -0.02 0.0392 0.469 3119361 ChemDiv3_002264 CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)/C2=N)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G21 compound treatment 1.028 0.00276 0.08 1.017 -0.00683 -0.2 -0.0862 -0.3973 3022036 ChemDiv3_002265 COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G22 compound treatment 1.033 0.00776 0.22 1.002 -0.0218 -0.65 -0.2975 -0.4353 1651487 ChemDiv3_002266 O=C(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)N3c4ccccc4Sc5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G23 mock treatment 1.248 0.223 6.45 1.17 0.146 4.32 7.6177 0.981 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 G24 mock treatment 1.021 -0.00424 -0.12 1.025 0.00117 0.03 -0.0623 -0.4885 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H01 compound treatment 1.028 0.00276 0.08 0.995 -0.0288 -0.85 -0.5462 -0.638 1245559 ChemDiv3_002267 CC(C)c1ccc(cc1)N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H02 compound treatment 1.031 0.00576 0.17 1.018 -0.00583 -0.17 -0.0039 -0.0163 1264207 ChemDiv3_002268 Cc1ccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H03 compound treatment 1.022 -0.00324 -0.09 1.022 -0.00183 -0.05 -0.1046 -0.9656 3119362 ChemDiv3_002269 CCOc1ccc(/N=C\2/NC(=O)S/C2=C\c3ccc(OC)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H04 compound treatment 1.038 0.0128 0.37 1.007 -0.0168 -0.5 -0.0905 -0.1461 1690321 ChemDiv3_002270 COc1ccc(Cc2c(O)nc(N)nc2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H05 compound treatment 1.018 -0.00724 -0.21 1.012 -0.0118 -0.35 -0.3956 -0.9701 1362118 ChemDiv3_002271 CCCCC(N1C(=O)c2ccccc2C1=O)C(=O)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H06 compound treatment 1.011 -0.0142 -0.41 1.024 1.72E-4 0.01 -0.288 -0.6983 1501766 ChemDiv3_002272 CCCCN(CC)C(=O)c1sc2ncnc(N3CCN(CC3)c4ccc(OC)cc4)c2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H07 compound treatment 1.04 0.0148 0.43 1.02 -0.00383 -0.11 0.2222 0.5026 1173112 ChemDiv3_002273 CC1CC(Nc2ccccc2)c3ccccc3N1C(=O)c4ccccc4F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H08 compound treatment 1.051 0.0258 0.75 1.026 0.00217 0.06 0.5729 0.7652 3119363 ChemDiv3_002274 COC(=O)c1nnc(Nc2ccc(Oc3ccccc3)cc2)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H09 compound treatment 1.002 -0.0232 -0.67 1.009 -0.0148 -0.44 -0.7859 -0.9784 3022037 ChemDiv3_002275 C=CCSc1nc2CCCc2cc1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H10 compound treatment 1.015 -0.0102 -0.3 1.018 -0.00583 -0.17 -0.3316 -0.9666 3119364 ChemDiv3_002276 Cc1c(/N=C/2\SC(CC(=O)O)C(=O)N2/N=C/c3ccccc3O)c(=O)n(c4ccccc4)n1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H11 compound treatment 1.012 -0.0132 -0.38 1.012 -0.0118 -0.35 -0.5184 -0.9989 1170987 ChemDiv3_002277 CCC(C)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H12 compound treatment 1.022 -0.00324 -0.09 1.023 -8.28E-4 -0.02 -0.0837 -0.8626 1736821 ChemDiv3_002278 COC(=O)Cn1c(Cl)nc2n(C)c(=O)n(C)c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H13 compound treatment 1.03 0.00476 0.14 1.028 0.00417 0.12 0.1847 0.9985 3119365 ChemDiv3_002279 COc1ccc(CC(=O)N2CCC(C2)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H14 compound treatment 1.043 0.0178 0.51 1.042 0.0182 0.54 0.7436 0.9998 3119366 ChemDiv3_002280 COc1ccc(cc1)c2nn(cc2C(=O)OCC(C)C)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H15 compound treatment 1.019 -0.00624 -0.18 1.001 -0.0228 -0.67 -0.6051 -0.866 1268167 ChemDiv3_002281 COc1ccc-2c(CCc3c(C(=O)O)c4cc(Br)ccc4nc32)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H16 compound treatment 1.096 0.0708 2.05 1.069 0.0452 1.34 2.3934 0.9785 3119367 ChemDiv3_002282 COc1ccccc1OCCOc2ccc(cc2)c3nc4sc5CCCCc5c4c(=O)[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H17 compound treatment 1.025 -2.41E-4 -0.01 1.001 -0.0228 -0.67 -0.4822 -0.7144 1631822 ChemDiv3_002283 CCC1=NN(C(=O)C(C)C)C(O)(C1)c2ccc(Br)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H18 compound treatment 1.023 -0.00224 -0.06 1.045 0.0212 0.63 0.3967 0.6304 3119368 ChemDiv3_002284 CC(=O)Oc1ccc(cc1)C(=O)Nc2ccccc2NC(=O)c3ccc(OC(=O)C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H19 compound treatment 1.013 -0.0122 -0.35 1.019 -0.00483 -0.14 -0.3516 -0.92 1277012 ChemDiv3_002285 O=C(NCC1OCCc2ccccc12)C(c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H20 compound treatment 1.011 -0.0142 -0.41 1.021 -0.00283 -0.08 -0.3508 -0.8335 1299115 ChemDiv3_002286 O=C(CCN1C(=O)C2C3CC(C=C3)C2C1=O)N4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H21 compound treatment 1.01 -0.0152 -0.44 1.002 -0.0218 -0.65 -0.7685 -0.9828 1594929 ChemDiv3_002287 CCOc1ccc(cc1)C(=O)OC2CC3CCC(C2)N3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H22 compound treatment 1.081 0.0558 1.61 1.088 0.0642 1.9 2.4835 0.9968 1235484 ChemDiv3_002288 CCOc1ccc2N3C(=O)N(c4ccc(Cl)c(Cl)c4)C(C)(CC3(C)C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H23 mock treatment 1.018 -0.00724 -0.21 1.026 0.00217 0.06 -0.1029 -0.469 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 H24 mock treatment 1.187 0.162 4.68 1.125 0.101 2.99 5.4277 0.9765 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I01 compound treatment 1.023 -0.00224 -0.06 1.002 -0.0218 -0.65 -0.5022 -0.7743 3119369 ChemDiv3_002289 CCN1C(=O)/C(=C\c2ccc(cc2)C(C)C)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I02 compound treatment 1.008 -0.0172 -0.5 1.014 -0.00983 -0.29 -0.5585 -0.9668 3022038 ChemDiv3_002290 O=C(Nc1ccccc1)OCCCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I03 compound treatment 1.004 -0.0212 -0.62 0.993 -0.0308 -0.91 -1.0795 -0.9817 3119514 ChemDiv3_002291 Fc1ccc(cc1)N2C(=N)S/C(=C\c3ccccc3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I04 compound treatment 0.993 -0.0322 -0.93 0.992 -0.0318 -0.94 -1.3257 -1.0 1334372 ChemDiv3_002292 COc1ccc(CNCc2ccc(F)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I05 compound treatment 1.011 -0.0142 -0.41 0.994 -0.0298 -0.88 -0.9152 -0.9401 1278234 ChemDiv3_002293 CC(=O)Nc1ccc2nc(SCc3c(C)cc(C)cc3C)sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I06 compound treatment 0.997 -0.0282 -0.82 1.005 -0.0188 -0.56 -0.972 -0.9824 1736428 ChemDiv3_002294 O=C(CN1C(=O)c2ccccc2C1=O)N(Cc3ccccc3)Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I07 compound treatment 1.0 -0.0252 -0.73 1.0 -0.0238 -0.7 -1.0151 -0.9998 1654589 ChemDiv3_002295 O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I08 compound treatment 1.023 -0.00224 -0.06 1.01 -0.0138 -0.41 -0.335 -0.8092 3119515 ChemDiv3_002296 CC1CCN(CC1)S(=O)(=O)c2cc(Br)ccc2Br 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I09 compound treatment 1.014 -0.0112 -0.33 0.999 -0.0248 -0.73 -0.7493 -0.9331 3022039 ChemDiv3_002297 CCCOc1ccc(Br)cc1/C=C/2\NC(=S)NC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I10 compound treatment 1.302 0.277 8.02 1.274 0.25 7.4 10.8978 0.9992 3022093 ChemDiv3_002298 CCN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c4ccccc24)C(=O)N(CC)C1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I11 compound treatment 1.007 -0.0182 -0.53 1.0 -0.0238 -0.7 -0.8717 -0.9899 3022094 ChemDiv3_002299 O=c1[nH]c(nc2ccccc12)/C(=C/C=C/c3ccccc3)/C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I12 compound treatment 1.011 -0.0142 -0.41 0.994 -0.0298 -0.88 -0.9152 -0.9401 1340508 ChemDiv3_002300 CCCOc1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I13 compound treatment 1.004 -0.0212 -0.62 1.005 -0.0188 -0.56 -0.8286 -0.9988 1247533 ChemDiv3_002301 Brc1ccccc1OCC(=O)N2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I14 compound treatment 1.013 -0.0122 -0.35 1.006 -0.0178 -0.53 -0.6234 -0.9814 1388737 ChemDiv3_002302 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N2CC3C4CC(C=C4)C3C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I15 compound treatment 1.04 0.0148 0.43 1.05 0.0262 0.77 0.8494 0.9608 1214196 ChemDiv3_002303 CC(C)CCOC(=O)c1cc2cc(Br)ccc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I16 compound treatment 1.012 -0.0132 -0.38 0.996 -0.0278 -0.82 -0.8529 -0.9396 3022095 ChemDiv3_002304 Brc1cc(Br)c2ncc(cc2c1)c3ccc4ccccc4n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I17 compound treatment 0.887 -0.138 -4.0 0.868 -0.156 -4.61 -6.0888 -0.9976 3119516 ChemDiv3_002305 N/C(=N\C(=O)c1ccccc1NC(=O)c2ccccc2)/Nc3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I18 compound treatment 1.007 -0.0182 -0.53 1.014 -0.00983 -0.29 -0.579 -0.9603 1174671 ChemDiv3_002306 CC(=O)N1C(C2=C(CCCC2=O)Nc3ccccc13)c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I19 compound treatment 1.011 -0.0142 -0.41 0.991 -0.0328 -0.97 -0.9779 -0.9273 1639511 ChemDiv3_002307 OC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I20 compound treatment 1.012 -0.0132 -0.38 1.003 -0.0208 -0.62 -0.7066 -0.974 1138942 ChemDiv3_002308 COc1ccc(OC(=O)N2CCOCC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I21 compound treatment 1.019 -0.00624 -0.18 1.007 -0.0168 -0.5 -0.4796 -0.9061 3119517 ChemDiv3_002309 CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I22 compound treatment 1.053 0.0278 0.8 1.052 0.0282 0.83 1.1574 0.9998 3119518 ChemDiv3_002310 CC(=O)NS(=O)(=O)c1ccc(cc1)N2C(=O)CC(Sc3nccc(C)n3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I23 mock treatment 1.047 0.0218 0.63 1.026 0.00217 0.06 0.491 0.7752 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 I24 mock treatment 1.021 -0.00424 -0.12 1.012 -0.0118 -0.35 -0.3341 -0.9015 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J01 compound treatment 0.996 -0.0292 -0.85 0.998 -0.0258 -0.76 -1.1388 -0.9987 1214355 ChemDiv3_002311 O=C(NC1CC2CCC1C2)c3ccc(CN4CCOCC4)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J02 compound treatment 1.012 -0.0132 -0.38 1.005 -0.0188 -0.56 -0.6648 -0.9835 3119519 ChemDiv3_002312 CC/1=NN(C(=O)\C1=C/Nc2ccc(O)cc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J03 compound treatment 0.982 -0.0432 -1.25 0.987 -0.0368 -1.09 -1.6554 -0.9976 3022096 ChemDiv3_002313 OC(=O)/C=C/C(=O)N(Cc1ccccc1)Cc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J04 compound treatment 1.017 -0.00824 -0.24 1.005 -0.0188 -0.56 -0.5624 -0.9285 1515659 ChemDiv3_002314 CCCOc1ccc(cc1)C2(CCCC2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J05 compound treatment 1.106 0.0808 2.34 1.13 0.106 3.14 3.8735 0.9895 3022097 ChemDiv3_002315 S=C(NCc1cccs1)Nc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J06 compound treatment 1.027 0.00176 0.05 1.003 -0.0208 -0.62 -0.3994 -0.6464 1272557 ChemDiv3_002316 CCc1ccc(Nc2ncnc3sc(C)cc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J07 compound treatment 1.03 0.00476 0.14 1.028 0.00417 0.12 0.1847 0.9985 1185170 ChemDiv3_002317 CCn1c(SCC(=O)c2ccccc2)nc3sc4CCCc4c3c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J08 compound treatment 1.029 0.00376 0.11 1.015 -0.00883 -0.26 -0.1076 -0.3804 3119520 ChemDiv3_002318 CCCc1n(CC(O)COCC2CCC=CC2)c3ccccc3[n+]1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J09 compound treatment 1.069 0.0438 1.27 1.057 0.0332 0.98 1.5896 0.992 1518359 ChemDiv3_002319 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J10 compound treatment 1.022 -0.00324 -0.09 0.997 -0.0268 -0.79 -0.6272 -0.7853 3022098 ChemDiv3_002320 O=C/1Nc2ccccc2\C1=C/3\SC(=NC3=O)N4CCOCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J11 compound treatment 0.987 -0.0382 -1.11 0.965 -0.0588 -1.74 -2.013 -0.9762 3119521 ChemDiv3_002321 CC(C)c1ccc(CN(C(=O)C)c2ccc3oc(nc3c2)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J12 compound treatment 1.053 0.0278 0.8 1.028 0.00417 0.12 0.6557 0.8062 1416925 ChemDiv3_002322 COC(=O)CC1(C(=O)c2ccccc2C1=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J13 compound treatment 1.021 -0.00424 -0.12 1.026 0.00217 0.06 -0.0414 -0.299 1252389 ChemDiv3_002323 CC(=O)Oc1c(Cc2ccccc2)c(=O)oc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J14 compound treatment 1.008 -0.0172 -0.5 0.998 -0.0258 -0.76 -0.893 -0.9788 1282252 ChemDiv3_002324 CN(C)C(=O)Cn1nc(c2ccc(C)cc2)c3ccccc3c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J15 compound treatment 1.025 -2.41E-4 -0.01 1.041 0.0172 0.51 0.3541 0.6973 3119522 ChemDiv3_002325 CC(C)C(=O)N1N=C(CC1(O)C(F)(F)F)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J16 compound treatment 1.023 -0.00224 -0.06 1.028 0.00417 0.12 0.0413 0.2965 1724879 ChemDiv3_002326 CC(C)n1nnc2c(=O)oc3ccccc3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J17 compound treatment 1.053 0.0278 0.8 1.037 0.0132 0.39 0.8438 0.9447 3119523 ChemDiv3_002327 CN1/C(=C/c2cccc[n+]2C)/C=Cc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J18 compound treatment 1.019 -0.00624 -0.18 1.018 -0.00583 -0.17 -0.2496 -0.9997 1399051 ChemDiv3_002328 O=C(Nc1ccc(cc1)c2nc3ccccc3[nH]2)c4ccc(cc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J19 compound treatment 0.928 -0.0972 -2.82 0.927 -0.0968 -2.86 -4.0157 -1.0 3022099 ChemDiv3_002329 C/C=C/C(=O)NCC1OCCc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J20 compound treatment 1.029 0.00376 0.11 1.038 0.0142 0.42 0.3733 0.8622 3119524 ChemDiv3_002330 C/C(=N\N1C(=O)c2ccccc2NC31CCCCC3)/c4ccccc4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J21 compound treatment 1.014 -0.0112 -0.33 1.009 -0.0148 -0.44 -0.5402 -0.9893 3022100 ChemDiv3_002331 Fc1ccc(cc1)C2C3C(ON2c4ccc(Cl)cc4)C(=O)N(Cc5ccccc5)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J22 compound treatment 1.073 0.0478 1.38 1.103 0.0792 2.34 2.6332 0.9685 1474997 ChemDiv3_002332 Clc1cccc(c1)n2c(=O)n(Cc3ccccc3)c4ccccc4c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J23 mock treatment 1.006 -0.0192 -0.56 1.019 -0.00483 -0.14 -0.495 -0.8604 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 J24 mock treatment 1.026 7.59E-4 0.02 1.007 -0.0168 -0.5 -0.3363 -0.6752 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K01 compound treatment 1.018 -0.00724 -0.21 1.025 0.00117 0.03 -0.1238 -0.5823 3022101 ChemDiv3_002333 CN1C(=O)/C(=C\c2ccccc2C(F)(F)F)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K02 compound treatment 1.016 -0.00924 -0.27 0.995 -0.0288 -0.85 -0.7919 -0.8865 3119525 ChemDiv3_002334 CC/1=NOC(=O)\C1=C\c2ccc(o2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K03 compound treatment 1.013 -0.0122 -0.35 1.013 -0.0108 -0.32 -0.477 -0.9987 3119526 ChemDiv3_002335 Cc1ccsc1/C=C\2/SC(=N)N(C2=O)c3ccc(C)c(C)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K04 compound treatment 1.007 -0.0182 -0.53 1.014 -0.00983 -0.29 -0.579 -0.9603 3022102 ChemDiv3_002336 COc1ccccc1CCNCc2ccccc2C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K05 compound treatment 1.021 -0.00424 -0.12 1.005 -0.0188 -0.56 -0.4805 -0.8429 1231691 ChemDiv3_002337 CCC(=O)Nc1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K06 compound treatment 1.017 -0.00824 -0.24 1.006 -0.0178 -0.53 -0.5415 -0.9358 1284330 ChemDiv3_002338 Cn1ccnc1SCC(=O)Nc2ccc(cc2)S(=O)(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K07 compound treatment 1.013 -0.0122 -0.35 1.034 0.0102 0.3 -0.038 -0.0818 1135846 ChemDiv3_002339 CCOc1cccc(c1)C(=O)Nc2cc3nn(nc3cc2C)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K08 compound treatment 1.025 -2.41E-4 -0.01 1.03 0.00617 0.18 0.1241 0.6795 3022103 ChemDiv3_002340 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NCCCN2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K09 compound treatment 1.104 0.0788 2.28 1.123 0.0992 2.93 3.6862 0.9923 1281351 ChemDiv3_002341 CSc1cccc(NC(=O)CSc2nc3ccccc3o2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K10 compound treatment 0.991 -0.0342 -0.99 0.994 -0.0298 -0.88 -1.3248 -0.9983 3119527 ChemDiv3_002342 CC(C)c1ccc(/C=c/2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K11 compound treatment 1.041 0.0158 0.46 1.063 0.0392 1.16 1.1417 0.9171 1434381 ChemDiv3_002343 Cc1cc(C)cc(Oc2coc3cc(O)ccc3c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K12 compound treatment 0.967 -0.0582 -1.69 0.963 -0.0608 -1.8 -2.4644 -0.9995 1361794 ChemDiv3_002344 Clc1ccc2nc(nc(c3ccccc3)c2c1)N4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K13 compound treatment 1.025 -2.41E-4 -0.01 0.998 -0.0258 -0.76 -0.5449 -0.7136 1502142 ChemDiv3_002345 CCC(C)NC(=O)COc1ccc(cc1)C(C)(C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K14 compound treatment 1.004 -0.0212 -0.62 1.006 -0.0178 -0.53 -0.8077 -0.997 1335752 ChemDiv3_002346 Cc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)C3CCC(CC3O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K15 compound treatment 1.02 -0.00524 -0.15 0.996 -0.0278 -0.82 -0.6891 -0.8237 1524452 ChemDiv3_002347 CC1CC(Nc2ccccc2C)c3cccc(C)c3N1C(=O)CN4C(=O)c5ccccc5C4=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K16 compound treatment 1.0 -0.0252 -0.73 1.021 -0.00283 -0.08 -0.576 -0.7829 3022104 ChemDiv3_002348 Cc1ccc2nc(ccc2c1)c3cnc4ccc(C)cc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K17 compound treatment 1.05 0.0248 0.72 1.024 1.72E-4 0.01 0.5106 0.7121 3022105 ChemDiv3_002349 N/C(=N\C(=O)c1ccc(Cl)c(Cl)c1)/N=c/2\[nH]c(=O)c3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K18 compound treatment 1.037 0.0118 0.34 1.007 -0.0168 -0.5 -0.111 -0.1841 1650441 ChemDiv3_002350 Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(n2)N4CCCCC4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K19 compound treatment 1.027 0.00176 0.05 1.033 0.00917 0.27 0.2278 0.8255 1320117 ChemDiv3_002351 OC(=O)CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K20 compound treatment 1.02 -0.00524 -0.15 1.0 -0.0238 -0.7 -0.6055 -0.8402 3119669 ChemDiv3_002352 Cc1ccc(NC2=NC(=O)CC(S2)C(=O)Nc3ccc(Cl)cc3)cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K21 compound treatment 0.999 -0.0262 -0.76 1.009 -0.0148 -0.44 -0.8474 -0.9658 3119670 ChemDiv3_002353 CCOc1cc(/C=C/2\SC(=S)NC2=O)cc(Cl)c1OC(=O)c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K22 compound treatment 0.999 -0.0262 -0.76 1.016 -0.00783 -0.23 -0.701 -0.8824 1476989 ChemDiv3_002354 Cc1ccc(NCC(=O)n2c3CCCCc3c4ccccc24)cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K23 mock treatment 1.015 -0.0102 -0.3 1.002 -0.0218 -0.65 -0.6661 -0.9378 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 K24 mock treatment 1.014 -0.0112 -0.33 1.014 -0.00983 -0.29 -0.4357 -0.9984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L01 compound treatment 1.021 -0.00424 -0.12 0.997 -0.0268 -0.79 -0.6477 -0.807 3119671 ChemDiv3_002355 CCOC(=O)C1=CN(C=C(C1c2cccc(OC)c2)C(=O)OCC)c3ccc(OCC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L02 compound treatment 1.013 -0.0122 -0.35 1.002 -0.0218 -0.65 -0.707 -0.9602 3022106 ChemDiv3_002356 CC/1=NN(C(=O)\C1=C/Nc2cccc(N)c2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L03 compound treatment 1.022 -0.00324 -0.09 1.005 -0.0188 -0.56 -0.46 -0.8148 1437422 ChemDiv3_002357 Cc1cccc(Oc2coc3cc(OCC=C)ccc3c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L04 compound treatment 1.03 0.00476 0.14 1.031 0.00717 0.21 0.2474 0.9782 1446427 ChemDiv3_002358 CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3)c2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L05 compound treatment 1.079 0.0538 1.56 1.083 0.0592 1.75 2.338 0.9983 1719093 ChemDiv3_002359 COc1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L06 compound treatment 1.008 -0.0172 -0.5 1.015 -0.00883 -0.26 -0.5376 -0.9542 1608447 ChemDiv3_002360 COC(=O)CNC(=O)c1cn(c2ccc(C)c(C)c2)c(=O)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L07 compound treatment 1.03 0.00476 0.14 1.046 0.0222 0.66 0.561 0.8375 1471198 ChemDiv3_002361 CC1(CN(Cc2ccccc2)CC3(C)CN(Cc4ccccc4)C1)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L08 compound treatment 1.014 -0.0112 -0.33 1.022 -0.00183 -0.05 -0.2684 -0.8133 3119672 ChemDiv3_002362 Cc1ccc2nc(C)nc(c3ccccc3)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L09 compound treatment 1.004 -0.0212 -0.62 1.025 0.00117 0.03 -0.4105 -0.6662 3022107 ChemDiv3_002363 CCN(CC)c1ccc(/N=C/c2ccc(O)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L10 compound treatment 1.032 0.00676 0.2 1.008 -0.0158 -0.47 -0.1925 -0.3795 1436006 ChemDiv3_002364 CCOc1ccc2nc(SCCC(=O)Nc3ccccc3)sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L11 compound treatment 0.986 -0.0392 -1.14 0.993 -0.0308 -0.91 -1.4481 -0.994 1304871 ChemDiv3_002365 Cc1ccccc1C(=O)NC(=S)Nc2ccc(cc2)c3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L12 compound treatment 1.03 0.00476 0.14 1.009 -0.0148 -0.44 -0.2125 -0.4625 3022108 ChemDiv3_002366 Cc1ccc(cc1)c2nn(cc2/C=N/O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L13 compound treatment 1.017 -0.00824 -0.24 1.006 -0.0178 -0.53 -0.5415 -0.9358 3119673 ChemDiv3_002367 C[n+]1cc(ccc1/C=N/O)C(=O)NCC[N+](C)(C)Cc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L14 compound treatment 0.995 -0.0302 -0.88 1.007 -0.0168 -0.5 -0.9711 -0.9641 1433089 ChemDiv3_002368 CN(C)S(=O)(=O)c1cc(ccc1C)c2nnc(Nc3ccc(O)cc3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L15 compound treatment 1.014 -0.0112 -0.33 1.012 -0.0118 -0.35 -0.4775 -0.9994 3119674 ChemDiv3_002369 CCCCC1=NN(C(=O)c2ccccc2)C(O)(C1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L16 compound treatment 1.019 -0.00624 -0.18 1.006 -0.0178 -0.53 -0.5005 -0.8982 1233382 ChemDiv3_002370 CCCCn1nnc2c(=O)oc3ccccc3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L17 compound treatment 1.062 0.0368 1.06 1.042 0.0182 0.54 1.1327 0.9499 1251619 ChemDiv3_002371 Oc1nc2ccccn2c(=O)c1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L18 compound treatment 1.027 0.00176 0.05 1.007 -0.0168 -0.5 -0.3158 -0.6314 1494865 ChemDiv3_002372 O=c1n(Cc2cccnc2)c(=O)c3ccccc3c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L19 compound treatment 1.02 -0.00524 -0.15 1.011 -0.0128 -0.38 -0.3755 -0.9192 1414725 ChemDiv3_002373 CC(NCc1ccccc1)C2COc3ccccc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L20 compound treatment 1.019 -0.00624 -0.18 1.014 -0.00983 -0.29 -0.3333 -0.9739 1401815 ChemDiv3_002374 CCSc1nc2ccccc2c(=O)n1c3cccc(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L21 compound treatment 1.011 -0.0142 -0.41 1.002 -0.0218 -0.65 -0.748 -0.9766 3022109 ChemDiv3_002375 O=C1C2ON(C(C2C(=O)N1c3ccccc3)c4ccco4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L22 compound treatment 1.121 0.0958 2.77 1.083 0.0592 1.75 3.1981 0.9753 3022159 ChemDiv3_002376 COc1ccc2nc(N/C(=N/C(=O)N3c4ccccc4Sc5ccccc35)/N)nc(C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L23 mock treatment 1.011 -0.0142 -0.41 1.02 -0.00383 -0.11 -0.3717 -0.869 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 L24 mock treatment 1.028 0.00276 0.08 1.013 -0.0108 -0.32 -0.1699 -0.5149 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M01 compound treatment 0.994 -0.0312 -0.9 1.001 -0.0228 -0.67 -1.117 -0.9896 1276155 ChemDiv3_002377 CCc1ccccc1NC(=O)CCN2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M02 compound treatment 0.998 -0.0272 -0.79 1.002 -0.0218 -0.65 -1.0142 -0.995 3022160 ChemDiv3_002378 CCN1C(=O)/C(=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)/N(CC)C1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M03 compound treatment 1.006 -0.0192 -0.56 0.985 -0.0388 -1.15 -1.2058 -0.9449 1545799 ChemDiv3_002379 Cn1c2C(=O)CCCc2c3cc(Oc4ccccc4)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M04 compound treatment 0.988 -0.0372 -1.08 1.002 -0.0218 -0.65 -1.219 -0.9699 3022161 ChemDiv3_002380 COc1cc(CNCc2cccc(c2)C(F)(F)F)cc(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M05 compound treatment 1.008 -0.0172 -0.5 0.99 -0.0338 -1.0 -1.0603 -0.9485 1396765 ChemDiv3_002381 Clc1ccc(CC(=O)Nc2ccccn2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M06 compound treatment 1.02 -0.00524 -0.15 1.021 -0.00283 -0.08 -0.1664 -0.9605 1526311 ChemDiv3_002382 COc1ccc(OC)c(c1)C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccccn4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M07 compound treatment 1.038 0.0128 0.37 1.034 0.0102 0.3 0.4739 0.9948 1280857 ChemDiv3_002383 CCc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M08 compound treatment 1.028 0.00276 0.08 1.041 0.0172 0.51 0.4155 0.8084 1263380 ChemDiv3_002384 Cc1ccccc1c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M09 compound treatment 0.999 -0.0262 -0.76 1.005 -0.0188 -0.56 -0.931 -0.9883 1589617 ChemDiv3_002385 CSc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M10 compound treatment 0.979 -0.0462 -1.34 0.986 -0.0378 -1.12 -1.7378 -0.996 3119675 ChemDiv3_002386 CC(Nc1nc(Nc2ccc(F)cc2)nc(SCC(=O)Nc3ccc(F)cc3)n1)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M11 compound treatment 1.006 -0.0192 -0.56 1.018 -0.00583 -0.17 -0.5159 -0.8844 1511994 ChemDiv3_002387 CC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M12 compound treatment 1.007 -0.0182 -0.53 0.981 -0.0428 -1.27 -1.2689 -0.9249 1565326 ChemDiv3_002388 CCOC(=O)c1c(O)nc2ccc(Cl)cc2c1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M13 compound treatment 0.999 -0.0262 -0.76 1.0 -0.0238 -0.7 -1.0355 -0.9993 1561823 ChemDiv3_002389 Nc1c2CCN(Cc3ccccc3)c2nc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M14 compound treatment 1.025 -2.41E-4 -0.01 1.02 -0.00383 -0.11 -0.085 -0.7494 3022162 ChemDiv3_002390 CC(C)N/C(=N\S(=O)(=O)c1cccs1)/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M15 compound treatment 1.002 -0.0232 -0.67 0.998 -0.0258 -0.76 -1.0159 -0.998 1441054 ChemDiv3_002391 CC(N1C(=O)c2ccccc2C1=O)C(=O)N3CCc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M16 compound treatment 0.986 -0.0392 -1.14 0.968 -0.0558 -1.65 -1.9708 -0.9834 1497947 ChemDiv3_002392 COc1cc(cc(OC)c1OC)c2nc(Nc3ccc(C)c(F)c3)c4ccccc4n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M17 compound treatment 0.996 -0.0292 -0.85 0.996 -0.0278 -0.82 -1.1806 -0.9999 1419232 ChemDiv3_002393 COc1cc(OC)c(cc1OC)c2nc(c3cccs3)c([nH]2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M18 compound treatment 1.01 -0.0152 -0.44 1.012 -0.0118 -0.35 -0.5594 -0.9933 3119676 ChemDiv3_002394 CC(N1C(=O)c2ccccc2C1=O)C(=O)/N=C(/NCc3ccc(Cl)cc3)\Nc4nc(C)cc(C)n4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M19 compound treatment 0.999 -0.0262 -0.76 0.993 -0.0308 -0.91 -1.1819 -0.9959 3022163 ChemDiv3_002395 Cc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c3ccccc3F)c(C)n1c4ccc(Cl)c(c4)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M20 compound treatment 1.066 0.0408 1.18 1.06 0.0362 1.07 1.5909 0.9988 3119677 ChemDiv3_002396 Cc1ccc(cc1)S(=O)(=O)N(C(=N)Nc2nc(C)cc(C)n2)c3ccc(C)c(C)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M21 compound treatment 0.99 -0.0352 -1.02 1.012 -0.0118 -0.35 -0.969 -0.8981 3022164 ChemDiv3_002397 CC1(C)Cc2c(CO1)sc3nc(S)n(CC=C)c(=O)c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M22 compound treatment 0.998 -0.0272 -0.79 1.014 -0.00983 -0.29 -0.7633 -0.9079 3119678 ChemDiv3_002398 Cc1cc(C)nc(N/C(=N/C(=O)Cc2ccccc2)/N3CCC(CC3)C(=O)N)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M23 mock treatment 1.062 0.0368 1.06 1.045 0.0212 0.63 1.1954 0.968 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 M24 mock treatment 1.008 -0.0172 -0.5 1.016 -0.00783 -0.23 -0.5167 -0.9389 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N01 compound treatment 0.994 -0.0312 -0.9 0.998 -0.0258 -0.76 -1.1797 -0.9964 1640856 ChemDiv3_002399 O=S(=O)(NC1CC1)c2ccc3OCCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N02 compound treatment 0.997 -0.0282 -0.82 0.98 -0.0438 -1.3 -1.4946 -0.9754 3119679 ChemDiv3_002400 O=C/1SC(=C\C1=C/Nc2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N03 compound treatment 0.985 -0.0402 -1.17 0.987 -0.0368 -1.09 -1.594 -0.9994 1605466 ChemDiv3_002401 CCCOC(=O)COc1ccc2c(=O)c(coc2c1)c3ccccc3OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N04 compound treatment 0.985 -0.0402 -1.17 0.983 -0.0408 -1.21 -1.6776 -0.9998 1160786 ChemDiv3_002402 C1CCc2c(C1)sc3ncnc(Nc4ccccc4)c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N05 compound treatment 1.06 0.0348 1.01 1.081 0.0572 1.69 1.9071 0.9693 3119680 ChemDiv3_002403 Cc1ccc(NC(=S)NCC2CCCO2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N06 compound treatment 1.007 -0.0182 -0.53 1.004 -0.0198 -0.59 -0.7881 -0.9987 1548315 ChemDiv3_002404 OC(=O)CNC(=O)Cn1cnc2sc3CCCCc3c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N07 compound treatment 1.092 0.0668 1.93 1.078 0.0542 1.6 2.4997 0.9956 3022165 ChemDiv3_002405 CN1C(=O)C(O)(C/C(=N/O)/C)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N08 compound treatment 1.005 -0.0202 -0.59 1.011 -0.0128 -0.38 -0.6827 -0.9778 1534538 ChemDiv3_002406 Cc1ccc2nc(NCCC(=O)O)nc(c3ccccc3)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N09 compound treatment 0.994 -0.0312 -0.9 0.986 -0.0378 -1.12 -1.4306 -0.9945 3022166 ChemDiv3_002407 Cc1cc(C)n(/N=C/c2ccccc2O)c(=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N10 compound treatment 1.011 -0.0142 -0.41 1.023 -8.28E-4 -0.02 -0.3089 -0.7477 1701080 ChemDiv3_002408 CCCOC(=O)C(C)Oc1ccc2c(=O)c(coc2c1)c3ccccc3Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N11 compound treatment 0.993 -0.0322 -0.93 1.0 -0.0238 -0.7 -1.1584 -0.9904 1143106 ChemDiv3_002409 Oc1ccc(NC(=S)NC(=O)c2ccccc2)cc1c3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N12 compound treatment 0.916 -0.109 -3.16 0.903 -0.121 -3.57 -4.7632 -0.9982 3119681 ChemDiv3_002410 COc1ccc(cc1)c2nn(cc2/C=N/O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N13 compound treatment 1.008 -0.0172 -0.5 0.998 -0.0258 -0.76 -0.893 -0.9788 3119839 ChemDiv3_002411 CCOC(=O)c1ccc(/C=N/O)[n+](Cc2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N14 compound treatment 0.999 -0.0262 -0.76 0.995 -0.0288 -0.85 -1.1401 -0.9984 1525956 ChemDiv3_002412 COc1nnc(c2ccc(C)c(c2)S(=O)(=O)N(C)C)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N15 compound treatment 0.994 -0.0312 -0.9 1.002 -0.0218 -0.65 -1.0961 -0.9863 3119840 ChemDiv3_002413 CC1=NN(C(=O)c2ccccc2)C(O)(C1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N16 compound treatment 1.026 7.59E-4 0.02 1.024 1.72E-4 0.01 0.0191 0.8486 1151489 ChemDiv3_002414 Nc1c(NC2CCN(Cc3ccccc3)CC2)c4ccccc4oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N17 compound treatment 1.01 -0.0152 -0.44 1.01 -0.0138 -0.41 -0.6012 -0.9993 1129246 ChemDiv3_002415 CC(C)C(=O)Nc1cccc(c1)c2nc3ncccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N18 compound treatment 1.044 0.0188 0.54 1.027 0.00317 0.09 0.4505 0.8171 3119841 ChemDiv3_002416 COc1cc(/C=C\2/C(=O)NC(=S)N(CC=C)C2=O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N19 compound treatment 1.155 0.13 3.76 1.121 0.0972 2.87 4.6888 0.9912 1662903 ChemDiv3_002417 Brc1ccc(cc1)C(=O)NCC2(CCOCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N20 compound treatment 1.042 0.0168 0.49 1.016 -0.00783 -0.23 0.1795 0.3339 1235375 ChemDiv3_002418 CCOC(=O)c1c2CCCc2c(=S)sc1N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N21 compound treatment 0.987 -0.0382 -1.11 0.967 -0.0568 -1.68 -1.9712 -0.9795 3119842 ChemDiv3_002419 Oc1ccc2ccccc2c1/C=N/S(=O)(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N22 compound treatment 1.016 -0.00924 -0.27 1.012 -0.0118 -0.35 -0.4365 -0.9913 1505560 ChemDiv3_002420 O=C(N1CCCc2ccccc12)N3c4ccccc4Sc5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N23 mock treatment 1.0 -0.0252 -0.73 0.999 -0.0248 -0.73 -1.036 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 N24 mock treatment 0.999 -0.0262 -0.76 1.009 -0.0148 -0.44 -0.8474 -0.9658 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O01 compound treatment 1.019 -0.00624 -0.18 1.003 -0.0208 -0.62 -0.5632 -0.8776 1293078 ChemDiv3_002421 COC(=O)c1c(oc2c1cc(NS(=O)(=O)c3ccc(C)cc3)c4ccccc24)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O02 compound treatment 1.029 0.00376 0.11 1.008 -0.0158 -0.47 -0.2539 -0.5285 3119843 ChemDiv3_002422 Cn1c2ccc(Br)cc2c3nnc(SCC(=O)NC4=NC(=O)CS4)nc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O03 compound treatment 1.014 -0.0112 -0.33 1.012 -0.0118 -0.35 -0.4775 -0.9994 2083303 ChemDiv3_002423 Clc1cccc(Cl)c1N2C(=O)Cc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O04 compound treatment 1.017 -0.00824 -0.24 1.02 -0.00383 -0.11 -0.2488 -0.9419 1629745 ChemDiv3_002424 O=C(CN1C(=C(N2CCOCC2)c3ccccc3S1(=O)=O)C(=O)c4ccccc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O05 compound treatment 1.068 0.0428 1.24 1.076 0.0522 1.54 1.9664 0.9941 1526005 ChemDiv3_002425 Cc1ccc2nsnc2c1NC(=O)Cc3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O06 compound treatment 1.061 0.0358 1.04 1.073 0.0492 1.45 1.7603 0.9862 1529777 ChemDiv3_002426 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccc(C)cc3)C(=O)Nc4ccccn4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O07 compound treatment 1.02 -0.00524 -0.15 1.011 -0.0128 -0.38 -0.3755 -0.9192 1225607 ChemDiv3_002427 Cc1ccc2nsnc2c1NC(=O)COc3ccc(Cl)c(C)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O08 compound treatment 1.039 0.0138 0.4 1.021 -0.00283 -0.08 0.2226 0.5468 1350277 ChemDiv3_002428 Oc1cc(NC(=O)c2ccccc2)ccc1c3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O09 compound treatment 1.025 -2.41E-4 -0.01 1.01 -0.0138 -0.41 -0.294 -0.7191 1230226 ChemDiv3_002429 CSc1ccccc1NC(=O)CSc2nc3cc(C)ccc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O10 compound treatment 1.011 -0.0142 -0.41 1.004 -0.0198 -0.59 -0.7062 -0.9852 3022167 ChemDiv3_002430 CC/N=C/1\S/C(=C\c2ccc(o2)c3cccc(c3)C(=O)O)/C(=O)N1CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O11 compound treatment 1.028 0.00276 0.08 1.004 -0.0198 -0.59 -0.358 -0.6051 1057726 ChemDiv3_002431 Cc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O12 compound treatment 0.953 -0.0722 -2.09 0.936 -0.0878 -2.6 -3.3155 -0.9943 3022168 ChemDiv3_002432 C/C(=N\N)/c1c(c2ccccc2)c3cc(C)ccc3[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O13 compound treatment 1.032 0.00676 0.2 1.024 1.72E-4 0.01 0.142 0.7253 3119844 ChemDiv3_002433 CN(C)c1cc(/N=C/2\CCCN2c3ccccc3)c4ccccc4n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O14 compound treatment 1.137 0.112 3.24 1.155 0.131 3.88 5.031 0.996 1039999 ChemDiv3_002434 Cc1nc(N)nc(O)c1CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O15 compound treatment 1.045 0.0198 0.57 1.051 0.0272 0.8 0.9727 0.9862 3119845 ChemDiv3_002435 CCC(CC)C(=O)N1c2ccccc2Sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O16 compound treatment 1.031 0.00576 0.17 1.03 0.00617 0.18 0.247 0.999 3022169 ChemDiv3_002436 Cc1ccc(C)n1c2ccc(Oc3ccc(Br)cc3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O17 compound treatment 1.045 0.0198 0.57 1.027 0.00317 0.09 0.4709 0.8122 3119846 ChemDiv3_002437 Cc1cc(C)cc(c1)N2C(=O)/C(=C\c3ccc(cc3)N4CCCCC4)/C(=O)NC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O18 compound treatment 1.144 0.119 3.44 1.148 0.124 3.67 5.028 0.9995 1241829 ChemDiv3_002438 Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O19 compound treatment 1.021 -0.00424 -0.12 1.015 -0.00883 -0.26 -0.2714 -0.9409 3022170 ChemDiv3_002439 CCOC(=O)C1=CN(C=C(C1c2cccs2)C(=O)OCC)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O20 compound treatment 1.064 0.0388 1.12 1.051 0.0272 0.8 1.3618 0.9866 1582713 ChemDiv3_002440 COC(=O)c1cc(=O)n2c3ccccc3nc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O21 compound treatment 1.183 0.158 4.57 1.169 0.145 4.29 6.2657 0.9995 1694119 ChemDiv3_002441 CSc1nc(N2CCCCC2)c3CCCCc3c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O22 compound treatment 1.027 0.00176 0.05 1.015 -0.00883 -0.26 -0.1485 -0.5586 3119847 ChemDiv3_002442 N/C(=N\C(=O)Nc1ccc(F)cc1)/N=c/2\[nH]c(=O)c3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O23 mock treatment 1.056 0.0308 0.89 1.05 0.0262 0.77 1.1771 0.9975 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 O24 mock treatment 1.02 -0.00524 -0.15 1.021 -0.00283 -0.08 -0.1664 -0.9605 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P01 compound treatment 1.006 -0.0192 -0.56 0.994 -0.0298 -0.88 -1.0176 -0.9755 1505657 ChemDiv3_002443 CCc1ccccc1N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P02 compound treatment 1.028 0.00276 0.08 1.018 -0.00583 -0.17 -0.0653 -0.3441 3119848 ChemDiv3_002444 CN(C)/C=C\1/C=C(OC1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P03 compound treatment 1.025 -2.41E-4 -0.01 1.009 -0.0148 -0.44 -0.3149 -0.7183 3119849 ChemDiv3_002445 C/C(=C\c1ccccc1)/C=C/2\SC(=S)N(CCC(=O)NC3CCCCC3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P04 compound treatment 0.993 -0.0322 -0.93 0.996 -0.0278 -0.82 -1.242 -0.998 1639497 ChemDiv3_002446 Cc1c(sc2ncn(Cc3ccccc3F)c(=O)c12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P05 compound treatment 1.039 0.0138 0.4 1.04 0.0162 0.48 0.6199 0.9959 1580858 ChemDiv3_002447 Clc1ccc(NC(=S)NCCN2CCOCC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P06 compound treatment 1.054 0.0288 0.83 1.057 0.0332 0.98 1.2824 0.9967 3022171 ChemDiv3_002448 CCn1c(C(=O)O)c(CC(=O)Nc2ccccc2F)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P07 compound treatment 1.226 0.201 5.81 1.237 0.213 6.3 8.5679 0.9992 3119850 ChemDiv3_002449 COc1ccc(cc1)C2C3C(=O)c4ccccc4C3=NC5=C2C(=O)CCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P08 compound treatment 1.0 -0.0252 -0.73 0.967 -0.0568 -1.68 -1.705 -0.9305 1741530 ChemDiv3_002450 CC(Nc1nc(c2ccccc2)c3cc(Br)ccc3n1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P09 compound treatment 1.017 -0.00824 -0.24 1.016 -0.00783 -0.23 -0.3324 -0.9999 3022172 ChemDiv3_002451 COc1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P10 compound treatment 1.021 -0.00424 -0.12 1.012 -0.0118 -0.35 -0.3341 -0.9015 1589009 ChemDiv3_002452 CC1CN(Cc2c(O)ccc3c4ccccc4c(=O)oc23)CC(C)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P11 compound treatment 1.004 -0.0212 -0.62 1.026 0.00217 0.06 -0.3896 -0.6299 1642564 ChemDiv3_002453 Fc1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)c3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P12 compound treatment 0.969 -0.0562 -1.63 0.965 -0.0588 -1.74 -2.3816 -0.9995 3119851 ChemDiv3_002454 Fc1ccc(cc1)c2nn(cc2/C=N\Cc3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P13 compound treatment 1.119 0.0938 2.72 1.117 0.0932 2.75 3.8679 1.0 3022173 ChemDiv3_002455 OC(=O)CCC(=O)N1N=C(CC1c2ccccc2F)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P14 compound treatment 1.023 -0.00224 -0.06 1.019 -0.00483 -0.14 -0.1468 -0.9364 1129324 ChemDiv3_002456 CCn1c(C)nc2cc(ccc12)S(=O)(=O)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P15 compound treatment 1.011 -0.0142 -0.41 1.029 0.00517 0.15 -0.1835 -0.4172 3119852 ChemDiv3_002457 CC1=NN(c2nc3ccccc3s2)C(O)(C1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P16 compound treatment 1.024 -0.00124 -0.04 1.044 0.0202 0.6 0.3963 0.6633 1463659 ChemDiv3_002458 O=c1oc2ccccc2c3n(CCN4CCCC4)cnc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P17 compound treatment 1.086 0.0608 1.76 1.097 0.0732 2.16 2.774 0.9947 3119853 ChemDiv3_002459 COC(=O)/C(=C/C=C/c1ccccc1)/NC(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P18 compound treatment 1.022 -0.00324 -0.09 0.987 -0.0368 -1.09 -0.8363 -0.7652 3022283 ChemDiv3_002460 CCOC(=O)c1ccc(cc1)n2c(C)cc(/C=N/O)c2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P19 compound treatment 1.105 0.0798 2.31 1.118 0.0942 2.78 3.6021 0.9957 1416964 ChemDiv3_002461 CC(OC(=O)C1=C(C)NC(=O)NC1c2cccc(Br)c2)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P20 compound treatment 1.039 0.0138 0.4 1.045 0.0212 0.63 0.7244 0.9762 1631242 ChemDiv3_002462 O=c1[nH]cnc2c1sc3nc(N4CCOCC4)c5CCCCc5c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P21 compound treatment 0.999 -0.0262 -0.76 0.998 -0.0258 -0.76 -1.0773 -1.0 1661864 ChemDiv3_002463 CC1(C)CC(=O)C(C2c3ccccc3Oc4ccccc24)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P22 compound treatment 1.121 0.0958 2.77 1.116 0.0922 2.73 3.888 1.0 3119995 ChemDiv3_002464 Cc1cccc(N/C(=N\S(=O)(=O)c2ccc(Cl)cc2)/Nc3nc(C)cc(C)n3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P23 mock treatment 1.027 0.00176 0.05 1.032 0.00817 0.24 0.2069 0.8377 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2007 P24 mock treatment 1.015 -0.0102 -0.3 1.032 0.00817 0.24 -0.0389 -0.1016 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A01 compound treatment 1.001 -0.0227 -0.66 1.022 -0.002 -0.06 -0.5065 -0.7676 3022284 ChemDiv3_002465 COc1ccc(cc1)C2CC(=O)C=C(C2)NCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A02 compound treatment 1.001 -0.0227 -0.66 0.993 -0.031 -0.92 -1.1127 -0.9867 3022285 ChemDiv3_002466 Cc1ccc2C(CC(=O)Oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A03 compound treatment 1.087 0.0633 1.83 1.048 0.024 0.71 1.7982 0.9147 3119996 ChemDiv3_002467 Cc1cc2nc(SCc3ccc(F)cc3)[nH]c2cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A04 compound treatment 1.023 -6.9E-4 -0.02 1.009 -0.015 -0.44 -0.3277 -0.7382 3119997 ChemDiv3_002468 C(Cn/1c(cs\c1=N/c2ccccc2)c3ccccc3)N4CCOCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A05 compound treatment 1.01 -0.0137 -0.4 0.996 -0.028 -0.83 -0.8657 -0.9432 3022286 ChemDiv3_002469 COc1ccc(cc1)C(=O)/C=C/Nc2ccc(cc2)S(=O)(=O)Nc3cnc4ccccc4n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A06 compound treatment 1.017 -0.00669 -0.19 1.013 -0.011 -0.33 -0.367 -0.9694 3119998 ChemDiv3_002470 CC(C)(C)N(Cc1ccccc1)C(=O)CCCN2C(=O)/C(=C/c3cccs3)/SC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A07 compound treatment 1.002 -0.0217 -0.63 0.984 -0.04 -1.18 -1.2804 -0.9562 3119999 ChemDiv3_002471 O=C(N/C(=C/c1ccccc1)/C(=O)N2CCCCCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A08 compound treatment 0.981 -0.0427 -1.24 1.005 -0.019 -0.56 -1.2714 -0.9363 3022287 ChemDiv3_002472 Cc1cc(/C=C/2\NC(=O)NC2=O)c(C)n1c3ccccc3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A09 compound treatment 1.012 -0.0117 -0.34 0.993 -0.031 -0.92 -0.8875 -0.9083 3120000 ChemDiv3_002473 Cc1ccc(CSc2ncnc3sc4CCCc4c23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A10 compound treatment 0.996 -0.0277 -0.8 0.98 -0.044 -1.3 -1.4869 -0.973 3022288 ChemDiv3_002474 CN(C1CCC(CC1O)C2OCCO2)C(=S)Nc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A11 compound treatment 0.993 -0.0307 -0.89 1.001 -0.023 -0.68 -1.1093 -0.9913 3120001 ChemDiv3_002475 Cn1c(SC/C=C/c2ccccc2)nc3sc4CCCCc4c3c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A12 compound treatment 0.981 -0.0427 -1.24 1.0 -0.024 -0.71 -1.376 -0.9653 1445905 ChemDiv3_002476 O=C(NC(=S)c1c(cc2ccccn12)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A13 compound treatment 1.04 0.0163 0.47 1.032 0.008 0.24 0.5013 0.9489 3022338 ChemDiv3_002477 CCN1C=C(C(C(=C1)C(=O)OC)c2cc3OCOc3cc2Br)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A14 compound treatment 0.977 -0.0467 -1.35 0.987 -0.037 -1.09 -1.7297 -0.9945 1530239 ChemDiv3_002478 CCCc1c(N)c2c3CCCCCc3sc2nc1c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A15 compound treatment 0.981 -0.0427 -1.24 0.993 -0.031 -0.92 -1.5223 -0.9891 3022339 ChemDiv3_002479 Cc1ccc(cc1)C2=CC(=O)C=CC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A16 compound treatment 0.998 -0.0257 -0.74 1.009 -0.015 -0.44 -0.8397 -0.9694 1619080 ChemDiv3_002480 Clc1ccc(cc1)n2ncnc2c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A17 compound treatment 1.011 -0.0127 -0.37 1.006 -0.018 -0.53 -0.6362 -0.9837 1730891 ChemDiv3_002481 O=C(NC(=S)Nc1ccc(cc1)N2CCCCC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A18 compound treatment 1.042 0.0183 0.53 1.037 0.013 0.38 0.6467 0.9875 3120002 ChemDiv3_002482 CCn1ncc(/C=N/O)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A19 compound treatment 1.006 -0.0177 -0.51 1.014 -0.01 -0.3 -0.5713 -0.9659 3120003 ChemDiv3_002483 COC(=O)C/1=C(C)NC(=O)\C1=C/c2cccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A20 compound treatment 0.996 -0.0277 -0.8 1.034 0.01 0.3 -0.358 -0.4188 3022340 ChemDiv3_002484 Cc1cc(C)nc(SCC(=O)c2ccccc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A21 compound treatment 1.006 -0.0177 -0.51 1.018 -0.006 -0.18 -0.4877 -0.8996 3120004 ChemDiv3_002485 COC(=O)C/1=C(C)N(Cc2ccc(OC)cc2)C(=O)\C1=C/c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A22 compound treatment 1.074 0.0503 1.46 1.049 0.025 0.74 1.5529 0.9505 1588114 ChemDiv3_002486 COc1ccc(CNCc2ccc(C)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A23 mock treatment 1.032 0.00831 0.24 1.024 0.0 0.0 0.1702 0.7071 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 A24 mock treatment 1.009 -0.0147 -0.43 1.005 -0.019 -0.56 -0.698 -0.9906 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B01 compound treatment 0.981 -0.0427 -1.24 0.992 -0.032 -0.95 -1.5432 -0.9913 1211077 ChemDiv3_002487 NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B02 compound treatment 0.997 -0.0267 -0.77 1.015 -0.009 -0.27 -0.7347 -0.8988 3022341 ChemDiv3_002488 COc1cc(OC)cc(c1)C(=O)/N=C(\N)/Nc2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B03 compound treatment 1.002 -0.0217 -0.63 1.009 -0.015 -0.44 -0.7578 -0.9855 1865468 ChemDiv3_002489 Clc1cccc(c1)C(=O)Nc2cccc(c2)c3cn4ccccc4n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B04 compound treatment 0.996 -0.0277 -0.8 1.015 -0.009 -0.27 -0.7552 -0.8938 1442941 ChemDiv3_002490 CCn1cc(C(=O)NN)c(=O)c2cc(F)c(cc12)N3CCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B05 compound treatment 0.995 -0.0287 -0.83 0.988 -0.036 -1.06 -1.3401 -0.9925 1645148 ChemDiv3_002491 Cc1ccc(cc1S(=O)(=O)N2CCCCC2)c3nnc(Nc4ccccc4)c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B06 compound treatment 1.034 0.0103 0.3 1.014 -0.01 -0.3 0.0021 0.0049 1255255 ChemDiv3_002492 CCOC(=O)C1=C(C)NC(=C(C#N)C1c2ccccc2)SCC(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B07 compound treatment 0.99 -0.0337 -0.98 0.993 -0.031 -0.92 -1.338 -0.9995 1611146 ChemDiv3_002493 Cc1ccc(NS(=O)(=O)CC2(CCC3CC2=O)C3(C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B08 compound treatment 1.065 0.0413 1.2 1.06 0.036 1.06 1.5986 0.9983 3120005 ChemDiv3_002494 CSc1nc2sc3CC(CCc3c2c4nncn14)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B09 compound treatment 0.999 -0.0247 -0.72 0.987 -0.037 -1.09 -1.2791 -0.9788 1227402 ChemDiv3_002495 CCOc1ccc(cc1)c2nc3n(nc(C)c3c4cc(OC)c(OC)cc24)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B10 compound treatment 1.053 0.0293 0.85 1.05 0.026 0.77 1.1438 0.9988 3120006 ChemDiv3_002496 O=P(CCNCc1cccnc1)(c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B11 compound treatment 0.991 -0.0327 -0.95 0.994 -0.03 -0.89 -1.2966 -0.9995 1162676 ChemDiv3_002497 Cc1[nH]c(=S)[nH]c(=O)c1Cc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B12 compound treatment 1.015 -0.00869 -0.25 0.988 -0.036 -1.06 -0.9306 -0.8508 1594508 ChemDiv3_002498 NS(=O)(=O)c1ccc(NC(=O)CC2SC(=O)NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B13 compound treatment 1.108 0.0843 2.44 1.126 0.102 3.02 3.859 0.9945 3120007 ChemDiv3_002499 COc1ccc2ccc(OC)c(/C=C/3\NC(=S)N(C)C3=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B14 compound treatment 1.072 0.0483 1.4 1.074 0.05 1.48 2.0346 0.9996 3022342 ChemDiv3_002500 COc1ccccc1/C=C/2\C(=NOC2=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B15 compound treatment 0.989 -0.0347 -1.0 0.991 -0.033 -0.98 -1.4003 -0.9999 1365037 ChemDiv3_002501 Cn1c(=O)n(C)c2ncn(CC(=O)NCc3ccco3)c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B16 compound treatment 1.01 -0.0137 -0.4 1.014 -0.01 -0.3 -0.4894 -0.9896 3022343 ChemDiv3_002502 COc1ccc2ccccc2c1C=C3C(=O)OC4(CCCC4)OC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B17 compound treatment 1.002 -0.0217 -0.63 1.027 0.003 0.09 -0.3814 -0.6013 3120008 ChemDiv3_002503 CN(C)c1ccc(/C=C(/NC(=O)c2cccc(C)c2)\C(=O)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B18 compound treatment 1.004 -0.0197 -0.57 0.999 -0.025 -0.74 -0.9259 -0.9918 1183856 ChemDiv3_002504 COC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B19 compound treatment 1.01 -0.0137 -0.4 1.008 -0.016 -0.47 -0.6148 -0.9961 1686688 ChemDiv3_002505 Cc1[nH]c2cc(C)ccc2c1C(=O)CSc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B20 compound treatment 0.999 -0.0247 -0.72 1.011 -0.013 -0.38 -0.7774 -0.9576 1707473 ChemDiv3_002506 CCc1cc2c3CCCCc3c(=O)oc2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B21 compound treatment 0.992 -0.0317 -0.92 1.008 -0.016 -0.47 -0.9835 -0.9525 1310201 ChemDiv3_002507 CCCCN(CC)c1ncnc2c1sc3nc(N4CCOCC4)c5COC(C)(C)Cc5c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B22 compound treatment 1.15 0.126 3.66 1.173 0.149 4.41 5.7017 0.9957 3022344 ChemDiv3_002508 Clc1ccc(/C=N/CC2COc3ccccc3O2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B23 mock treatment 1.009 -0.0147 -0.43 1.021 -0.003 -0.09 -0.3635 -0.8365 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 B24 mock treatment 1.132 0.108 3.14 1.183 0.159 4.7 5.5421 0.9807 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C01 compound treatment 1.032 0.00831 0.24 1.031 0.007 0.21 0.3165 0.9972 3120009 ChemDiv3_002509 CCNC(=S)N1CCN(CCNC=C2C(=O)CC(CC2=O)c3ccccc3)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C02 compound treatment 1.021 -0.00269 -0.08 1.034 0.01 0.3 0.154 0.5036 1331130 ChemDiv3_002510 COc1cc2CCN(C(C)c2cc1OC)S(=O)(=O)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C03 compound treatment 1.033 0.00931 0.27 1.021 -0.003 -0.09 0.1279 0.4507 3022345 ChemDiv3_002511 COc1cc(/C=c/2\sc3nc4cc(C)c(C)cc4n3c2=O)c(Br)cc1OCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C04 compound treatment 1.015 -0.00869 -0.25 1.027 0.003 0.09 -0.1152 -0.4318 3120010 ChemDiv3_002512 CCOC(=O)c1s/c(=N\c2ccccc2)/n(Cc3ccccc3)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C05 compound treatment 1.044 0.0203 0.59 1.026 0.002 0.06 0.4577 0.7743 1700810 ChemDiv3_002513 Brc1ccc2c3CN(COc3ccc2c1)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C06 compound treatment 1.009 -0.0147 -0.43 1.003 -0.021 -0.62 -0.7399 -0.983 3120011 ChemDiv3_002514 CC(=O)Oc1cc(c2cccc(c2)C(F)(F)F)c3oc(=O)sc3c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C07 compound treatment 1.04 0.0163 0.47 1.035 0.011 0.33 0.564 0.9834 3120152 ChemDiv3_002515 COc1ccc(/C=C(/NC(=O)c2ccccc2)\C(=O)N3CC(C)OC(C)C3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C08 compound treatment 1.034 0.0103 0.3 1.033 0.009 0.27 0.3993 0.9983 1521895 ChemDiv3_002516 CCOC(=O)c1sc(NC(=S)NC(=O)c2cc3ccccc3o2)nc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C09 compound treatment 1.037 0.0133 0.39 1.014 -0.01 -0.3 0.0635 0.1307 3120153 ChemDiv3_002517 COC(=O)c1ccc(cc1)n2c(C)cc(C(=O)CSc3ncnc4sc5CCCc5c34)c2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C10 compound treatment 1.026 0.00231 0.07 1.007 -0.017 -0.5 -0.3081 -0.6076 1371781 ChemDiv3_002518 CC(=C)CNc1nc(c(s1)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C11 compound treatment 1.012 -0.0117 -0.34 1.026 0.002 0.06 -0.1976 -0.5749 1255378 ChemDiv3_002519 Cc1ccc(C)c(c1)C(=O)CSc2nc(O)c3c(C)cc(C)nc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C12 compound treatment 1.013 -0.0107 -0.31 1.015 -0.009 -0.27 -0.4071 -0.9972 3022380 ChemDiv3_002520 CC(C)CSc1nnc2sc3ccccc3n12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C13 compound treatment 1.027 0.00331 0.1 1.029 0.005 0.15 0.1723 0.978 3022381 ChemDiv3_002521 c1ccc(cc1)c2nnc(o2)c3cccnc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C14 compound treatment 1.008 -0.0157 -0.45 1.015 -0.009 -0.27 -0.5095 -0.9675 1304656 ChemDiv3_002522 CCCCn1cnc2sc3CCCCCc3c2c1=N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C15 compound treatment 1.189 0.165 4.79 1.165 0.141 4.17 6.3331 0.9976 3022382 ChemDiv3_002523 Oc1ccccc1C2=Nc3ccccc3N=C(C2)c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C16 compound treatment 1.01 -0.0137 -0.4 1.0 -0.024 -0.71 -0.7821 -0.9622 3120154 ChemDiv3_002524 Clc1ccc(cc1)c2ncnn2c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C17 compound treatment 0.882 -0.142 -4.1 0.865 -0.159 -4.7 -6.2257 -0.9977 1362206 ChemDiv3_002525 COc1cccc(c1)C(=O)CCN2CCC(C2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C18 compound treatment 1.027 0.00331 0.1 1.015 -0.009 -0.27 -0.1204 -0.4256 3022383 ChemDiv3_002526 COC(=O)c1sc(=S)n(C)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C19 compound treatment 1.038 0.0143 0.41 1.023 -0.001 -0.03 0.2721 0.655 3022384 ChemDiv3_002527 COC(=O)C/1=C(C)N(C)C(=O)\C1=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C20 compound treatment 1.063 0.0393 1.14 1.049 0.025 0.74 1.3277 0.9781 3120155 ChemDiv3_002528 O=C(CSc1nsc(SCC(=O)c2ccccc2)n1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C21 compound treatment 1.022 -0.00169 -0.05 1.022 -0.002 -0.06 -0.0764 -0.9956 3120156 ChemDiv3_002529 COC(=O)C/1=C(C)N(C(=O)\C1=C/c2cccc(OC)c2O)c3ccccc3F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C22 compound treatment 1.064 0.0403 1.17 1.071 0.047 1.39 1.8081 0.9962 1130726 ChemDiv3_002530 Cc1cccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C23 mock treatment 1.012 -0.0117 -0.34 1.029 0.005 0.15 -0.1349 -0.365 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 C24 mock treatment 1.054 0.0303 0.88 1.045 0.021 0.62 1.0597 0.9856 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D01 compound treatment 1.013 -0.0107 -0.31 1.019 -0.005 -0.15 -0.3234 -0.9428 1299227 ChemDiv3_002531 Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)cc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D02 compound treatment 1.011 -0.0127 -0.37 1.026 0.002 0.06 -0.218 -0.5858 1787887 ChemDiv3_002532 COc1ccc(CC(=O)N2c3ccccc3CCc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D03 compound treatment 1.022 -0.00169 -0.05 1.024 0.0 0.0 -0.0346 -0.7071 1865477 ChemDiv3_002533 CCCC(=O)Nc1ccc(cc1)c2cn3ccccc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D04 compound treatment 1.003 -0.0207 -0.6 1.012 -0.012 -0.35 -0.6746 -0.9687 3120157 ChemDiv3_002534 O=C(CSC(=S)N1CCSCC1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D05 compound treatment 1.007 -0.0167 -0.48 1.01 -0.014 -0.41 -0.6345 -0.997 1175376 ChemDiv3_002535 CNC(=O)COc1ccc(Nc2nnc(c3ccc(C)cc3)c4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D06 compound treatment 1.021 -0.00269 -0.08 1.029 0.005 0.15 0.0495 0.296 3022385 ChemDiv3_002536 COc1ccc(/N=C/c2cc(\C=N\c3ccc(OC)cc3)c(s2)S(=O)(=O)C(C)(C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D07 compound treatment 1.03 0.00631 0.18 1.024 0.0 0.0 0.1292 0.7071 1534598 ChemDiv3_002537 CCCCn1c2ncnc(N)c2c3nc4ccccc4nc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D08 compound treatment 1.11 0.0863 2.5 1.081 0.057 1.69 2.9592 0.9816 3022386 ChemDiv3_002538 CCCCn1c(S)nc2sc3CCCCc3c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D09 compound treatment 1.011 -0.0127 -0.37 1.004 -0.02 -0.59 -0.678 -0.9738 1494476 ChemDiv3_002539 CC1=CCC2C(C1)C(=O)N(C2=O)c3ccc(cc3)C(=O)Nc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D10 compound treatment 1.045 0.0213 0.62 1.045 0.021 0.62 0.8754 1.0 1479378 ChemDiv3_002540 CC1C=C(C)CC(C1C(=O)O)C(=O)Nc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D11 compound treatment 1.017 -0.00669 -0.19 1.011 -0.013 -0.38 -0.4088 -0.9497 3120158 ChemDiv3_002541 Cc1cc(=O)[nH]c(SCC2COC3(CCCCC3)O2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D12 compound treatment 1.01 -0.0137 -0.4 0.991 -0.033 -0.98 -0.9703 -0.9213 1258764 ChemDiv3_002542 Oc1ccc(cc1)C(=O)OCCN2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D13 compound treatment 1.099 0.0753 2.18 1.109 0.085 2.51 3.3193 0.9975 1556785 ChemDiv3_002543 O=C(N(Cc1ccccc1)c2ccccn2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D14 compound treatment 1.008 -0.0157 -0.45 1.008 -0.016 -0.47 -0.6558 -0.9998 3120159 ChemDiv3_002544 CC1=C(C(NC(=S)N1)c2cccs2)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D15 compound treatment 1.017 -0.00669 -0.19 1.02 -0.004 -0.12 -0.2206 -0.972 1223419 ChemDiv3_002545 Cn1c(=O)n(C)c2ncn(CC(=O)Nc3ccncc3)c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D16 compound treatment 1.006 -0.0177 -0.51 1.008 -0.016 -0.47 -0.6968 -0.9992 3120160 ChemDiv3_002546 COC(=O)c1cccc(c1)c2ccc(C=C3C(=O)OC(OC3=O)c4ccccc4)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D17 compound treatment 1.024 3.1E-4 0.01 1.027 0.003 0.09 0.0691 0.7748 3022387 ChemDiv3_002547 CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=C(\C)/N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D18 compound treatment 1.025 0.00131 0.04 1.017 -0.007 -0.21 -0.1195 -0.568 1572990 ChemDiv3_002548 Cc1c(Cc2ccccc2)c(=O)oc3cc(OCc4ccc(cc4)C(=O)O)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D19 compound treatment 1.04 0.0163 0.47 1.029 0.005 0.15 0.4385 0.886 1725504 ChemDiv3_002549 Cc1[nH]c2cc(C)ccc2c1C(=O)CNc3nncs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D20 compound treatment 1.033 0.00931 0.27 1.038 0.014 0.41 0.4834 0.9784 1194891 ChemDiv3_002550 CCc1cc2c3CCCCc3c(=O)oc2cc1OCC(=O)OC(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D21 compound treatment 1.025 0.00131 0.04 1.034 0.01 0.3 0.2359 0.7914 3120161 ChemDiv3_002551 Cc1ccc2c(C)nc(NC3=NC(CC(=O)N3)C(=O)Nc4ccc(Cl)c(Cl)c4)nc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D22 compound treatment 1.039 0.0153 0.44 1.033 0.009 0.27 0.5017 0.9702 3022388 ChemDiv3_002552 CN(C)c1ccc(/C=N/CC2COc3ccccc3O2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D23 mock treatment 1.052 0.0283 0.82 1.038 0.014 0.41 0.8724 0.9499 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 D24 mock treatment 1.037 0.0133 0.39 1.37 0.346 10.23 7.5062 0.7332 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E01 compound treatment 1.028 0.00431 0.12 1.035 0.011 0.33 0.3182 0.9135 3120162 ChemDiv3_002553 CCc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E02 compound treatment 1.03 0.00631 0.18 1.034 0.01 0.3 0.3383 0.9733 3022389 ChemDiv3_002554 Cc1cc(=O)oc(C)c1C(=O)Nc2ccccc2C(=O)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E03 compound treatment 1.026 0.00231 0.07 1.028 0.004 0.12 0.1309 0.9636 3120163 ChemDiv3_002555 CCOc1cc(/C=C\2/C(=O)N(C(=S)N(C2=O)c3ccc(C)c(C)c3)c4ccccc4)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E04 compound treatment 1.03 0.00631 0.18 1.011 -0.013 -0.38 -0.1426 -0.335 3022390 ChemDiv3_002556 CC(C)n/1c(cs\c1=N/c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E05 compound treatment 1.03 0.00631 0.18 1.024 0.0 0.0 0.1292 0.7071 3120164 ChemDiv3_002557 CN(C)c1ccc2c3c(ccc(N(C)C)c13)[C@@](O)(O[C@]2(O)C(F)(F)F)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E06 compound treatment 1.018 -0.00569 -0.16 1.029 0.005 0.15 -0.012 -0.0541 1542419 ChemDiv3_002558 CCc1ccc(cc1)S(=O)(=O)N2CCSC2c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E07 compound treatment 1.043 0.0193 0.56 1.062 0.038 1.12 1.1899 0.9481 3120165 ChemDiv3_002559 COc1ccc(/C=C(/NC(=O)c2ccccc2)\C(=O)N3CC4(C)CC3CC(C)(C)C4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E08 compound treatment 1.032 0.00831 0.24 1.026 0.002 0.06 0.212 0.8554 1526755 ChemDiv3_002560 O=C(NC(=S)Nc1ccc(cc1)c2nc3ccccc3o2)c4cc5ccccc5o4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E09 compound treatment 1.031 0.00731 0.21 1.014 -0.01 -0.3 -0.0594 -0.1632 1316885 ChemDiv3_002561 CC(C)c1ccc(cc1)c2csc3ncnc(Oc4cccc(NC(=O)C)c4)c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E10 compound treatment 1.024 3.1E-4 0.01 1.023 -0.001 -0.03 -0.0146 -0.4709 3022391 ChemDiv3_002562 CC(C)(C)N1CCN(C1=O)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E11 compound treatment 1.013 -0.0107 -0.31 1.01 -0.014 -0.41 -0.5116 -0.9898 3120166 ChemDiv3_002563 CCOc1cc(/C=C/c2ccccc2OC)cc(=O)c3c(C)oc(C)c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E12 compound treatment 0.985 -0.0387 -1.12 0.988 -0.036 -1.06 -1.5449 -0.9997 1320812 ChemDiv3_002564 Cc1ccc(cc1)S(=O)(=O)NC(=O)Oc2cccc3cccnc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E13 compound treatment 1.023 -6.9E-4 -0.02 1.017 -0.007 -0.21 -0.1605 -0.7718 3120167 ChemDiv3_002565 N=C/1N2N=C(SC2=NC(=O)\C1=C/c3ccco3)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E14 compound treatment 1.37 0.346 10.03 1.341 0.317 9.37 13.7192 0.9994 1465230 ChemDiv3_002566 COc1ccc(cc1)c2oc3ncn(CC(C)C)c(=N)c3c2c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E15 compound treatment 1.013 -0.0107 -0.31 1.007 -0.017 -0.5 -0.5743 -0.9729 3022392 ChemDiv3_002567 Cc1ccc(O)c(c1)C2=Nc3ccccc3N=C(C2)c4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E16 compound treatment 1.019 -0.00469 -0.14 1.032 0.008 0.24 0.0712 0.2611 3120168 ChemDiv3_002568 COc1ccc(cc1)n2ncnc2c3ccc(Cl)cc3Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E17 compound treatment 1.017 -0.00669 -0.19 1.024 0.0 0.0 -0.137 -0.7071 3022431 ChemDiv3_002569 O=C1CC(CN1Cc2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E18 compound treatment 1.003 -0.0207 -0.6 1.004 -0.02 -0.59 -0.8418 -1.0 3117887 ChemDiv3_002570 COC(=O)c1sc(=S)n(c1C)c2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E19 compound treatment 1.045 0.0213 0.62 1.057 0.033 0.98 1.1263 0.9756 1664411 ChemDiv3_002571 OC(=O)CN(CCc1ccccc1)S(=O)(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E20 compound treatment 1.004 -0.0197 -0.57 1.002 -0.022 -0.65 -0.8632 -0.9978 1431891 ChemDiv3_002572 Nc1c(sc2nc3CCCc3cc12)C(=O)Nc4ccc5ccccc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E21 compound treatment 1.029 0.00531 0.15 1.03 0.006 0.18 0.2342 0.9975 3117888 ChemDiv3_002573 OC(=O)COc1ccc(/C=C/2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E22 compound treatment 1.02 -0.00369 -0.11 1.051 0.027 0.8 0.4889 0.607 3022432 ChemDiv3_002574 CCN1C(=O)S/C(=C\c2ccc3OCOc3c2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E23 mock treatment 1.029 0.00531 0.15 1.031 0.007 0.21 0.2551 0.9893 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 E24 mock treatment 1.078 0.0543 1.57 1.064 0.04 1.18 1.9484 0.9901 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F01 compound treatment 1.031 0.00731 0.21 1.028 0.004 0.12 0.2333 0.9622 1533782 ChemDiv3_002575 CCOC(=O)C1CCCN(C1)C(=O)C2c3ccccc3Oc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F02 compound treatment 1.021 -0.00269 -0.08 1.029 0.005 0.15 0.0495 0.296 3022433 ChemDiv3_002576 Cc1ccc(cc1)N2C(=C)c3ccccc3NC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F03 compound treatment 1.036 0.0123 0.36 1.036 0.012 0.35 0.503 1.0 1865482 ChemDiv3_002577 COc1ccc(cc1)C(=O)Nc2ccc(cc2)c3cn4ccccc4n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F04 compound treatment 1.016 -0.00769 -0.22 1.023 -0.001 -0.03 -0.1784 -0.794 3022434 ChemDiv3_002578 CC[n+]1oc(C)c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F05 compound treatment 1.034 0.0103 0.3 1.021 -0.003 -0.09 0.1484 0.4765 3117889 ChemDiv3_002579 Cc1ccccc1/C=N/n2c(C)cc(C)c(C#N)c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F06 compound treatment 1.144 0.12 3.48 1.101 0.077 2.28 4.0736 0.9787 3022435 ChemDiv3_002580 O=C1NC/C(=N/c2ccccc2)/C(=O)N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F07 compound treatment 1.014 -0.00969 -0.28 1.027 0.003 0.09 -0.1357 -0.4611 1539111 ChemDiv3_002581 Cc1ccc(cc1C)n2c(N)c(C#N)c3nc4ccccc4nc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F08 compound treatment 1.053 0.0293 0.85 1.048 0.024 0.71 1.102 0.996 1362970 ChemDiv3_002582 CCCCn1c(SCC)nc2sc3CCCCc3c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F09 compound treatment 1.036 0.0123 0.36 1.031 0.007 0.21 0.3984 0.9665 3117890 ChemDiv3_002583 CC1=CCC2C(C1)C(=O)N(C2=O)c3cccc(c3)C(=O)NCc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F10 compound treatment 1.051 0.0273 0.79 1.057 0.033 0.98 1.2492 0.9946 1378678 ChemDiv3_002584 OC(=O)C1C(C2CC1C=C2)C(=O)NCc3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F11 compound treatment 1.018 -0.00569 -0.16 1.026 0.002 0.06 -0.0747 -0.4267 1291546 ChemDiv3_002585 CC(C)COC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F12 compound treatment 1.031 0.00731 0.21 0.999 -0.025 -0.74 -0.373 -0.4851 1293113 ChemDiv3_002586 CCOC(=O)c1sc(NC(=O)CC)nc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F13 compound treatment 1.029 0.00531 0.15 1.022 -0.002 -0.06 0.0669 0.4062 1488462 ChemDiv3_002587 CC(NC(=O)c1cccc(c1)C(=O)NC(C)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F14 compound treatment 1.022 -0.00169 -0.05 1.017 -0.007 -0.21 -0.1809 -0.8508 1671651 ChemDiv3_002588 CCOC(=O)C1(O)N(C)C(=O)Nc2ccccc21 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F15 compound treatment 1.034 0.0103 0.3 1.029 0.005 0.15 0.3157 0.9474 1629502 ChemDiv3_002589 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc2cc(Cl)ccc2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F16 compound treatment 1.017 -0.00669 -0.19 1.009 -0.015 -0.44 -0.4506 -0.931 3022436 ChemDiv3_002590 CCc1cc(=O)oc2c(C)c(OC)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F17 compound treatment 1.036 0.0123 0.36 1.021 -0.003 -0.09 0.1894 0.5155 1227508 ChemDiv3_002591 COc1ccc2[nH]c3c(OC)ncnc3c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F18 compound treatment 1.028 0.00431 0.12 1.005 -0.019 -0.56 -0.309 -0.5369 1648918 ChemDiv3_002592 CCc1cc(=O)oc2c(C)c(O)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F19 compound treatment 1.029 0.00531 0.15 1.037 0.013 0.38 0.3805 0.9192 1501783 ChemDiv3_002593 COc1ccc2n(C)c(C)c(C(=O)CNc3nc(C)cs3)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F20 compound treatment 1.038 0.0143 0.41 1.029 0.005 0.15 0.3976 0.9036 1246346 ChemDiv3_002594 COc1ccc(OCc2nc3ccccc3[nH]2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F21 compound treatment 1.025 0.00131 0.04 1.017 -0.007 -0.21 -0.1195 -0.568 3022437 ChemDiv3_002595 CCNC(=O)N1c2ccc(CC)cc2C(=CC1(C)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F22 compound treatment 1.038 0.0143 0.41 1.028 0.004 0.12 0.3767 0.874 1589501 ChemDiv3_002596 COc1ccc(cc1)C(=O)NCC2OCCc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F23 mock treatment 1.026 0.00231 0.07 1.03 0.006 0.18 0.1728 0.9112 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 F24 mock treatment 1.069 0.0453 1.31 1.075 0.051 1.51 1.9941 0.9976 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G01 compound treatment 1.021 -0.00269 -0.08 1.026 0.002 0.06 -0.0133 -0.1357 3022438 ChemDiv3_002597 N/C=C\1/C(=O)N(N=C1C(F)(F)F)c2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G02 compound treatment 1.007 -0.0167 -0.48 1.017 -0.007 -0.21 -0.4881 -0.9284 1506877 ChemDiv3_002598 COC(=O)CN1C(C2=C(CC(C)(C)CC2=O)Nc3ccccc13)c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G03 compound treatment 1.0 -0.0237 -0.69 1.013 -0.011 -0.33 -0.7151 -0.9418 3022439 ChemDiv3_002599 CCOC(=O)C1=C(N=C2SCC(=O)N2C1c3ccc(OCC)cc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G04 compound treatment 1.033 0.00931 0.27 1.03 0.006 0.18 0.3161 0.9794 3117891 ChemDiv3_002600 COc1ccc(cc1)c2cs/c(=N\c3ccc(Br)cc3)/n2CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G05 compound treatment 1.016 -0.00769 -0.22 1.018 -0.006 -0.18 -0.2829 -0.9937 3117892 ChemDiv3_002601 COc1ccc(/C=C/C(=O)NC(=O)c2ccccc2OCC(=O)c3ccc(Br)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G06 compound treatment 1.021 -0.00269 -0.08 1.025 0.001 0.03 -0.0342 -0.4102 3022440 ChemDiv3_002602 COc1ccc(Br)cc1C2SCCN2S(=O)(=O)c3ccc(Cl)c(Cl)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G07 compound treatment 1.018 -0.00569 -0.16 1.018 -0.006 -0.18 -0.242 -0.9993 3117893 ChemDiv3_002603 CN(C)c1ccc(/C=C/2\SC(=O)N(Cc3ccccc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G08 compound treatment 1.045 0.0213 0.62 1.058 0.034 1.01 1.1472 0.9726 1606088 ChemDiv3_002604 O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c3cc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G09 compound treatment 1.014 -0.00969 -0.28 1.014 -0.01 -0.3 -0.4075 -0.9997 1241306 ChemDiv3_002605 Cc1nc(NCCc2ccccc2)c3c4CCCCc4sc3n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G10 compound treatment 0.994 -0.0297 -0.86 1.015 -0.009 -0.27 -0.7962 -0.8845 3022441 ChemDiv3_002606 Clc1cccc(c1)C(=O)SC2=NCCS2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G11 compound treatment 1.016 -0.00769 -0.22 1.006 -0.018 -0.53 -0.5338 -0.9253 1517676 ChemDiv3_002607 CCOc1ccc(cc1)c2cc(OC)c3c(C)oc(C)c3c(=O)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G12 compound treatment 1.014 -0.00969 -0.28 0.991 -0.033 -0.98 -0.8883 -0.875 1056016 ChemDiv3_002608 O=C1C2CCCCC2=NN1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G13 compound treatment 1.086 0.0623 1.8 1.072 0.048 1.42 2.2795 0.9929 3117894 ChemDiv3_002609 CN(C)c1ccc(/C=C\2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G14 compound treatment 1.012 -0.0117 -0.34 1.01 -0.014 -0.41 -0.5321 -0.995 1386956 ChemDiv3_002610 COc1ccc(cc1)c2oc3ncn(Cc4ccccc4)c(=N)c3c2c5ccc(OC)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G15 compound treatment 1.015 -0.00869 -0.25 1.01 -0.014 -0.41 -0.4706 -0.9715 3022442 ChemDiv3_002611 Cc1cc(C)c2c(=O)cc(oc2c1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G16 compound treatment 1.005 -0.0187 -0.54 1.031 0.007 0.21 -0.2364 -0.4079 1642217 ChemDiv3_002612 COc1cc(cc(OC)c1OC)c2ncnn2c3sc4CCCCCc4c3C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G17 compound treatment 1.02 -0.00369 -0.11 1.026 0.002 0.06 -0.0337 -0.2763 3117895 ChemDiv3_002613 COc1ccccc1/C=C/C(=O)N2CCCC(C2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G18 compound treatment 1.013 -0.0107 -0.31 1.023 -0.001 -0.03 -0.2398 -0.7711 3022476 ChemDiv3_002614 CCOC(=O)C1=C(C)N2CCN=C2S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G19 compound treatment 1.026 0.00231 0.07 1.015 -0.009 -0.27 -0.1408 -0.5133 1293580 ChemDiv3_002615 CC(C)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c3ccc(C)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G20 compound treatment 1.025 0.00131 0.04 1.035 0.011 0.33 0.2568 0.7843 1308860 ChemDiv3_002616 O=c1oc2ccccc2cc1c3csc(n3)C(=C4CCCC4)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G21 compound treatment 1.026 0.00231 0.07 1.024 0.0 0.0 0.0473 0.7071 3117896 ChemDiv3_002617 CCOc1cc(/C=C/2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G22 compound treatment 1.001 -0.0227 -0.66 1.017 -0.007 -0.21 -0.611 -0.8869 1189641 ChemDiv3_002618 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4cccc(O)c4)C(=O)OCc5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G23 mock treatment 1.036 0.0123 0.36 1.002 -0.022 -0.65 -0.2078 -0.2802 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 G24 mock treatment 1.019 -0.00469 -0.14 1.037 0.013 0.38 0.1757 0.4311 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H01 compound treatment 0.998 -0.0257 -0.74 1.031 0.007 0.21 -0.3797 -0.4917 1179631 ChemDiv3_002619 CCC(CC)NC(=O)C1c2ccccc2Oc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H02 compound treatment 1.018 -0.00569 -0.16 1.032 0.008 0.24 0.0507 0.176 3117897 ChemDiv3_002620 CC1CCN(CC1)C(=S)SCC(=O)n2c3CCCCc3c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H03 compound treatment 1.034 0.0103 0.3 1.039 0.015 0.44 0.5247 0.9815 1787952 ChemDiv3_002621 OC(CN1CCN(CC1)C=O)Cn2c3ccccc3c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H04 compound treatment 1.01 -0.0137 -0.4 1.032 0.008 0.24 -0.1131 -0.245 3117898 ChemDiv3_002622 OC1(CC(=NO1)/C=C/c2ccccc2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H05 compound treatment 1.02 -0.00369 -0.11 1.026 0.002 0.06 -0.0337 -0.2763 1693003 ChemDiv3_002623 O=C(CCCC(=O)N1CCc2ccccc12)N3CCc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H06 compound treatment 1.039 0.0153 0.44 1.017 -0.007 -0.21 0.1672 0.3417 1498872 ChemDiv3_002624 CCn1cc(C(=O)NN)c(=O)c2cc(F)c(NN)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H07 compound treatment 1.015 -0.00869 -0.25 1.034 0.01 0.3 0.0311 0.0801 1431137 ChemDiv3_002625 COC(=O)CN(Cc1ccccc1)S(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H08 compound treatment 1.017 -0.00669 -0.19 1.036 0.012 0.35 0.1139 0.2817 1193183 ChemDiv3_002626 CCCCn1c(NN)nc2sc3CCCCc3c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H09 compound treatment 0.996 -0.0277 -0.8 0.99 -0.034 -1.01 -1.2779 -0.9937 3118048 ChemDiv3_002627 CN(C)CCC(=O)N1c2ccccc2Sc3ccc(cc13)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H10 compound treatment 1.052 0.0283 0.82 1.025 0.001 0.03 0.6007 0.7321 1429742 ChemDiv3_002628 COC(CN1C(=O)C2C3CC(C=C3)C2C1=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H11 compound treatment 1.068 0.0443 1.28 1.058 0.034 1.01 1.6182 0.9927 1351226 ChemDiv3_002629 COC(=O)c1ccc(cc1)N(Cc2ccccc2)S(=O)(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H12 compound treatment 1.015 -0.00869 -0.25 1.009 -0.015 -0.44 -0.4915 -0.964 3022477 ChemDiv3_002630 CC1(C)CC(=O)C=C(C1)Nc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H13 compound treatment 1.019 -0.00469 -0.14 1.025 0.001 0.03 -0.0751 -0.5405 1715519 ChemDiv3_002631 CCc1cccc(C)c1NC(=O)c2ccc(cc2)C(=O)Nc3c(C)cccc3CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H14 compound treatment 1.161 0.137 3.98 1.117 0.093 2.75 4.7562 0.9838 3022478 ChemDiv3_002632 CSc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H15 compound treatment 1.018 -0.00569 -0.16 1.013 -0.011 -0.33 -0.3465 -0.9503 1124952 ChemDiv3_002633 Fc1ccc(NC(=O)C2c3ccccc3Oc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H16 compound treatment 0.999 -0.0247 -0.72 1.015 -0.009 -0.27 -0.6938 -0.9093 1549958 ChemDiv3_002634 CCc1cc(=O)oc2c(C)c(OCC(=O)N)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H17 compound treatment 1.011 -0.0127 -0.37 1.026 0.002 0.06 -0.218 -0.5858 1176369 ChemDiv3_002635 CN(C)c1ncnc2c3cc(C)ccc3[nH]c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H18 compound treatment 1.022 -0.00169 -0.05 1.007 -0.017 -0.5 -0.39 -0.7723 1448053 ChemDiv3_002636 CCCc1cc(=O)oc2cc(OC(C(=O)OCC)c3ccccc3)c(Cl)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H19 compound treatment 1.027 0.00331 0.1 1.018 -0.006 -0.18 -0.0576 -0.2859 1482032 ChemDiv3_002637 O=C(CCN1C(=O)C2C3CC(C=C3)C2C1=O)Nc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H20 compound treatment 1.026 0.00231 0.07 1.015 -0.009 -0.27 -0.1408 -0.5133 1430536 ChemDiv3_002638 COCn1c(COc2ccc3ccccc3c2)nc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H21 compound treatment 0.992 -0.0317 -0.92 1.006 -0.018 -0.53 -1.0253 -0.9664 3118049 ChemDiv3_002639 NC(=N)Nc1nc(c2ccccc2)c3ccccc3n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H22 compound treatment 1.159 0.135 3.92 1.165 0.141 4.17 5.7187 0.9995 3118050 ChemDiv3_002640 COc1ccc(/C=N\CC2(CCCC2)c3ccccc3)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H23 mock treatment 1.062 0.0383 1.11 1.049 0.025 0.74 1.3072 0.9805 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 H24 mock treatment 1.258 0.234 6.79 1.307 0.283 8.37 10.7148 0.9946 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I01 compound treatment 1.006 -0.0177 -0.51 1.025 0.001 0.03 -0.3413 -0.6652 1577750 ChemDiv3_002641 CC(=C1C(=O)c2ccccc2C1=O)N3CCC(CC3)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I02 compound treatment 1.017 -0.00669 -0.19 1.013 -0.011 -0.33 -0.367 -0.9694 1416256 ChemDiv3_002642 Oc1ccc(cc1)c2nc3cc4ccccc4cc3nc2c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I03 compound treatment 1.015 -0.00869 -0.25 1.016 -0.008 -0.24 -0.3452 -0.9995 3021773 ChemDiv3_002643 Cc1ccc(cc1C)N2NC(=O)/C(=C/C=C/c3ccco3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I04 compound treatment 1.011 -0.0127 -0.37 1.017 -0.007 -0.21 -0.4062 -0.9631 3118051 ChemDiv3_002644 Oc1ccc(/N=c/2\scc(c3ccccc3)n2CC=C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I05 compound treatment 1.007 -0.0167 -0.48 1.002 -0.022 -0.65 -0.8017 -0.9893 1235164 ChemDiv3_002645 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc3ccccc3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I06 compound treatment 1.006 -0.0177 -0.51 1.011 -0.013 -0.38 -0.634 -0.99 1162646 ChemDiv3_002646 Cc1ccc(cc1)C(OCC(C)(C)C[N+](C)(C)C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I07 compound treatment 1.004 -0.0197 -0.57 0.99 -0.034 -1.01 -1.114 -0.9639 3118052 ChemDiv3_002647 CCN(CC)C(=O)n1cnc2cc(C)c(C)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I08 compound treatment 1.08 0.0563 1.63 1.086 0.062 1.83 2.4493 0.9983 1361112 ChemDiv3_002648 Cc1c(oc2ccccc12)C(=O)NC(=S)Nc3ccc(Br)cn3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I09 compound treatment 1.006 -0.0177 -0.51 1.011 -0.013 -0.38 -0.634 -0.99 1612002 ChemDiv3_002649 Cc1cc(=O)oc2cc(Oc3nc(C)nc4sc5CCCc5c34)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I10 compound treatment 1.015 -0.00869 -0.25 1.014 -0.01 -0.3 -0.387 -0.9968 1546280 ChemDiv3_002650 CCCCC1C(=O)NC(=S)NC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I11 compound treatment 1.007 -0.0167 -0.48 1.008 -0.016 -0.47 -0.6763 -0.9999 3021827 ChemDiv3_002651 CSc1ccc(cc1)c2cc(=O)c3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I12 compound treatment 1.011 -0.0127 -0.37 1.029 0.005 0.15 -0.1553 -0.3921 1198111 ChemDiv3_002652 CC(=O)Oc1ccc(OC(=O)C)c(c1)S(=O)(=O)c2ccc(C)c(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I13 compound treatment 1.022 -0.00169 -0.05 1.007 -0.017 -0.5 -0.39 -0.7723 1525224 ChemDiv3_002653 OC(COc1ccccc1CC=C)Cn2c3ccccc3c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I14 compound treatment 0.985 -0.0387 -1.12 0.995 -0.029 -0.86 -1.3986 -0.9913 3118053 ChemDiv3_002654 COc1ccc(cc1)c2oc3ncn(CCO)c(=N)c3c2c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I15 compound treatment 1.028 0.00431 0.12 1.006 -0.018 -0.53 -0.288 -0.5269 1531068 ChemDiv3_002655 COc1ccccc1C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccccc4F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I16 compound treatment 1.001 -0.0227 -0.66 1.011 -0.013 -0.38 -0.7364 -0.9674 1597347 ChemDiv3_002656 CC(C)C1CC(C)(OC1=O)c2csc(Nc3ccc(C)cc3)n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I17 compound treatment 1.014 -0.00969 -0.28 1.01 -0.014 -0.41 -0.4911 -0.9821 1510595 ChemDiv3_002657 S=c1n(CN2CCCCC2)cnn1CN3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I18 compound treatment 1.02 -0.00369 -0.11 1.013 -0.011 -0.33 -0.3055 -0.8925 1725386 ChemDiv3_002658 CCNc1nc(NCC)nc(Oc2ccc(O)nn2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I19 compound treatment 1.049 0.0253 0.73 1.066 0.042 1.24 1.3964 0.9684 3118054 ChemDiv3_002659 COC(=O)C/1=C(C)N(Cc2ccccc2)C(=O)\C1=C/c3cccc(Cl)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I20 compound treatment 1.019 -0.00469 -0.14 1.023 -0.001 -0.03 -0.1169 -0.8413 1378167 ChemDiv3_002660 Cc1ccc(cc1)C(=O)CSc2nc(C)cc(C)c2C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I21 compound treatment 1.015 -0.00869 -0.25 1.014 -0.01 -0.3 -0.387 -0.9968 1016528 ChemDiv3_002661 C=CCN1C(=O)C2C3CC(C=C3)C2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I22 compound treatment 0.995 -0.0287 -0.83 1.0 -0.024 -0.71 -1.0893 -0.9969 3118055 ChemDiv3_002662 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I23 mock treatment 1.022 -0.00169 -0.05 1.011 -0.013 -0.38 -0.3064 -0.7907 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 I24 mock treatment 1.004 -0.0197 -0.57 1.02 -0.004 -0.12 -0.4868 -0.836 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J01 compound treatment 1.0 -0.0237 -0.69 1.014 -0.01 -0.3 -0.6942 -0.9292 1742467 ChemDiv3_002663 Cc1cc(NC(=O)COc2ccccc2)no1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J02 compound treatment 1.015 -0.00869 -0.25 1.007 -0.017 -0.5 -0.5334 -0.9489 1321408 ChemDiv3_002664 CC(=CC(=O)CC(O)(c1ccccc1)c2ccccc2)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J03 compound treatment 1.02 -0.00369 -0.11 1.015 -0.009 -0.27 -0.2637 -0.9197 1866882 ChemDiv3_002665 OC(CN1CCN(CC1)c2cccc(Cl)c2)Cn3c4ccccc4c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J04 compound treatment 1.108 0.0843 2.44 1.074 0.05 1.48 2.7719 0.9711 3118056 ChemDiv3_002666 CC(C)(C)C1=NOC(O)(C1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J05 compound treatment 1.036 0.0123 0.36 1.008 -0.016 -0.47 -0.0824 -0.1391 3118057 ChemDiv3_002667 C=CC[C@H]1Cc2ccccc2[C@H](CC=C)N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J06 compound treatment 1.01 -0.0137 -0.4 1.006 -0.018 -0.53 -0.6567 -0.9895 3118058 ChemDiv3_002668 CCOP1(=S)Oc2cc(Cl)ccc2C(O1)(C(F)(F)F)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J07 compound treatment 1.023 -6.9E-4 -0.02 1.025 0.001 0.03 0.0068 0.1901 1177751 ChemDiv3_002669 COC(=O)CN(c1ccccc1)S(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J08 compound treatment 1.021 -0.00269 -0.08 1.022 -0.002 -0.06 -0.0969 -0.9908 1503507 ChemDiv3_002670 CC1=NN(C(C1)C2=C(C)CCCC2(C)C)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J09 compound treatment 1.106 0.0823 2.38 1.071 0.047 1.39 2.6682 0.967 1550037 ChemDiv3_002671 O=C(NC1CCCCC1)N2c3ccccc3CCc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J10 compound treatment 1.011 -0.0127 -0.37 1.005 -0.019 -0.56 -0.6571 -0.9788 1126817 ChemDiv3_002672 CC(=O)N1N=C(C)CC1c2ccc(OCc3ccccc3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J11 compound treatment 1.064 0.0403 1.17 1.048 0.024 0.71 1.3272 0.9715 3118059 ChemDiv3_002673 Oc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)/SC2=S)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J12 compound treatment 1.031 0.00731 0.21 1.039 0.015 0.44 0.4633 0.9428 3021891 ChemDiv3_002674 C/N=C\1/S/C(=C\c2ccc(cc2)N3Cc4ccccc4C3)/C(=O)N1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J13 compound treatment 1.025 0.00131 0.04 1.012 -0.012 -0.35 -0.224 -0.6279 1637905 ChemDiv3_002675 O=C1SCCC1NS(=O)(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J14 compound treatment 1.004 -0.0197 -0.57 1.005 -0.019 -0.56 -0.8004 -1.0 3021893 ChemDiv3_002676 Brc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J15 compound treatment 1.006 -0.0177 -0.51 1.006 -0.018 -0.53 -0.7386 -0.9998 1259786 ChemDiv3_002677 CC1CCCCN1C(=O)C2c3ccccc3Oc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J16 compound treatment 0.888 -0.136 -3.93 0.854 -0.17 -5.03 -6.3328 -0.9926 1345434 ChemDiv3_002678 CCCc1cc(=O)oc2c(C)c(OC(C)C(=O)O)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J17 compound treatment 1.033 0.00931 0.27 1.057 0.033 0.98 0.8806 0.8699 1213781 ChemDiv3_002679 CCN(CC)c1ncnc2c3cc(C)ccc3[nH]c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J18 compound treatment 1.027 0.00331 0.1 1.021 -0.003 -0.09 0.0051 0.0388 1271531 ChemDiv3_002680 CCc1cc(=O)oc2cc(C)cc(OCC(=O)C(C)(C)C)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J19 compound treatment 1.01 -0.0137 -0.4 1.005 -0.019 -0.56 -0.6776 -0.9854 1605551 ChemDiv3_002681 C1C(Nc2ncnn2C1c3ccco3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J20 compound treatment 1.026 0.00231 0.07 1.016 -0.008 -0.24 -0.1199 -0.4879 1265661 ChemDiv3_002682 CSc1nc2-c3ccccc3CC4(CCCCC4)c2c(=O)n1CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J21 compound treatment 1.007 -0.0167 -0.48 1.028 0.004 0.12 -0.2582 -0.5188 1627093 ChemDiv3_002683 CCc1ccc2nc(Nc3nc(=O)c4ccccc4[nH]3)nc(C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J22 compound treatment 1.023 -6.9E-4 -0.02 1.005 -0.019 -0.56 -0.4113 -0.7318 3021946 ChemDiv3_002684 CC(C)(C)c1ccc(OCNC(=S)NC(=O)c2cncc(Br)c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J23 mock treatment 1.096 0.0723 2.09 1.073 0.049 1.45 2.5052 0.9838 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 J24 mock treatment 1.019 -0.00469 -0.14 1.031 0.007 0.21 0.0503 0.2032 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K01 compound treatment 1.03 0.00631 0.18 1.012 -0.012 -0.35 -0.1217 -0.3048 1520253 ChemDiv3_002685 CC(=C1C(=O)c2ccccc2C1=O)NCc3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K02 compound treatment 0.999 -0.0247 -0.72 1.021 -0.003 -0.09 -0.5683 -0.7888 1222073 ChemDiv3_002686 CC1CCC(CC1)C(=O)Nc2ccc(Oc3cccc(C)c3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K03 compound treatment 1.017 -0.00669 -0.19 1.012 -0.012 -0.35 -0.3879 -0.9595 1782006 ChemDiv3_002687 C=CCN1C(=O)/C(=C\2/C(=O)Nc3ccccc23)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K04 compound treatment 1.011 -0.0127 -0.37 1.015 -0.009 -0.27 -0.448 -0.9874 3118193 ChemDiv3_002688 CN(C)CCCn/1c(cs\c1=N/c2ccccc2)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K05 compound treatment 1.01 -0.0137 -0.4 1.004 -0.02 -0.59 -0.6985 -0.9811 3021950 ChemDiv3_002689 CCCc1cc(=O)[nH]c(SC)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K06 compound treatment 1.006 -0.0177 -0.51 1.019 -0.005 -0.15 -0.4668 -0.8754 1655049 ChemDiv3_002690 COc1ccc(cc1)C(C(=O)OCCN(C)C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K07 compound treatment 1.058 0.0343 0.99 1.04 0.016 0.47 1.0371 0.9424 1734313 ChemDiv3_002691 CCOC(=O)c1c(NC(=O)CSc2cc(C)c3ccccc3n2)sc4CCCc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K08 compound treatment 1.047 0.0233 0.68 1.04 0.016 0.47 0.8119 0.9849 3118194 ChemDiv3_002692 Cc1c(oc2ccccc12)C(=O)NC(=S)Nc3ccc(cc3)N4CCOCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K09 compound treatment 1.026 0.00231 0.07 1.015 -0.009 -0.27 -0.1408 -0.5133 1227980 ChemDiv3_002693 CCOC(=O)c1cc(Oc2nc(C)nc3sc4CCCCc4c23)cc(c1)C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K10 compound treatment 1.014 -0.00969 -0.28 0.999 -0.025 -0.74 -0.7211 -0.912 1073790 ChemDiv3_002694 CN1C(SC(=S)N(C)C1c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K11 compound treatment 1.018 -0.00569 -0.16 0.996 -0.028 -0.83 -0.7019 -0.8315 3118195 ChemDiv3_002695 O=C(Nc1ncnc2sc3CCCc3c12)/C=C/c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K12 compound treatment 0.951 -0.0727 -2.11 0.984 -0.04 -1.18 -2.3248 -0.9628 1473300 ChemDiv3_002696 CC(=O)Oc1ccc(OC(=O)C)c(c1)S(=O)(=O)c2ccc(Cl)c(Cl)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K13 compound treatment 1.005 -0.0187 -0.54 1.006 -0.018 -0.53 -0.759 -1.0 1258026 ChemDiv3_002697 Cc1cc(C)n(CC(O)CN2C(=O)NC(C)(C)C2=O)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K14 compound treatment 1.019 -0.00469 -0.14 1.016 -0.008 -0.24 -0.2633 -0.9653 1715933 ChemDiv3_002698 C(c1nc2c3c4CCCCc4sc3ncn2n1)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K15 compound treatment 1.0 -0.0237 -0.69 1.019 -0.005 -0.15 -0.5897 -0.8402 1852555 ChemDiv3_002699 CC1=C(C(C2=C(CC(CC2=O)c3ccccc3)N1)c4ccc(F)cc4)C(=O)Nc5ccc(F)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K16 compound treatment 1.019 -0.00469 -0.14 0.993 -0.031 -0.92 -0.7441 -0.8031 3118196 ChemDiv3_002700 CC(C)CCOCC1Cc2c(C)nn(C(=S)N)c2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K17 compound treatment 1.009 -0.0147 -0.43 1.021 -0.003 -0.09 -0.3635 -0.8365 3022012 ChemDiv3_002701 COC(=O)C1=C(C)N/C(=C/c2ccc(Br)cc2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K18 compound treatment 1.098 0.0743 2.15 1.101 0.077 2.28 3.1316 0.9996 3118197 ChemDiv3_002702 COc1ccc(cc1)C2=NN3COc4ccccc4C3C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K19 compound treatment 1.123 0.0993 2.88 1.138 0.114 3.37 4.417 0.9969 3022016 ChemDiv3_002703 COC(=O)C1=C(C)N(/C(=C/c2cccs2)/C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K20 compound treatment 1.061 0.0373 1.08 1.093 0.069 2.04 2.2066 0.9558 1243002 ChemDiv3_002704 CCCSc1nc(C)c(cc1C#N)c2csc(n2)C(=C3CCCC3)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K21 compound treatment 1.078 0.0543 1.57 1.062 0.038 1.12 1.9066 0.9864 1275176 ChemDiv3_002705 O=C1C2C(C(C=CC2c3ccccc3)c4ccccc4)C(=O)N1C5CCCCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K22 compound treatment 1.019 -0.00469 -0.14 1.029 0.005 0.15 0.0085 0.0423 3022022 ChemDiv3_002706 NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc3OCOc3c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K23 mock treatment 1.009 -0.0147 -0.43 1.016 -0.008 -0.24 -0.4681 -0.9616 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 K24 mock treatment 1.0 -0.0237 -0.69 1.013 -0.011 -0.33 -0.7151 -0.9418 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L01 compound treatment 0.994 -0.0297 -0.86 1.016 -0.008 -0.24 -0.7752 -0.8693 3022024 ChemDiv3_002707 COc1ccc2[n+]([O-])c3CCCc3[n+]([O-])c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L02 compound treatment 1.008 -0.0157 -0.45 0.998 -0.026 -0.77 -0.8649 -0.9685 1922669 ChemDiv3_002708 O/N=C\1/CC(O)(Oc2ccccc12)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L03 compound treatment 1.174 0.15 4.35 1.167 0.143 4.23 6.0677 0.9999 3118198 ChemDiv3_002709 Clc1ccc(C(=O)CN2C3=NCCN3c4ccccc24)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L04 compound treatment 1.238 0.214 6.21 1.238 0.214 6.33 8.8627 1.0 3118199 ChemDiv3_002710 Cc1c(n2cc(C(=O)O)c(=O)c3c(F)c(F)c(F)c(F)c23)c(=O)n(c4ccccc4)n1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L05 compound treatment 1.049 0.0253 0.73 1.022 -0.002 -0.06 0.4765 0.648 1356358 ChemDiv3_002711 Cc1ccc(cc1C)c2nnc(N3CCCCC3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L06 compound treatment 1.018 -0.00569 -0.16 1.003 -0.021 -0.62 -0.5556 -0.8648 3022079 ChemDiv3_002712 COc1ccc(NC(=C(C#N)C#N)C(F)(F)C(F)(F)F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L07 compound treatment 1.054 0.0303 0.88 1.042 0.018 0.53 0.997 0.9712 3118200 ChemDiv3_002713 COC(=O)Cn1c(CCS(=O)(=O)c2ccc(Cl)cc2)nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L08 compound treatment 1.03 0.00631 0.18 1.004 -0.02 -0.59 -0.2889 -0.4668 1315595 ChemDiv3_002714 CN(C)CCCN1C(=O)C2C3CC(C=C3)C2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L09 compound treatment 1.011 -0.0127 -0.37 1.012 -0.012 -0.35 -0.5107 -0.9998 3022082 ChemDiv3_002715 OCC1c2ccccc2-c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L10 compound treatment 1.059 0.0353 1.02 1.066 0.042 1.24 1.6012 0.9953 3022084 ChemDiv3_002716 CC(C)C1NC(=NC2=C1CCCC2)S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L11 compound treatment 1.02 -0.00369 -0.11 1.003 -0.021 -0.62 -0.5146 -0.8168 3118201 ChemDiv3_002717 CC(N1C(=O)/C(=C/c2ccc(Cl)cc2)/SC1=S)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L12 compound treatment 1.326 0.302 8.76 1.323 0.299 8.84 12.4418 1.0 1693076 ChemDiv3_002718 Cc1cccc(c1)n2c(N)cc(=O)[nH]c2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L13 compound treatment 1.003 -0.0207 -0.6 1.011 -0.013 -0.38 -0.6955 -0.977 1697919 ChemDiv3_002719 O=C(N1CCc2ccccc12)c3cccc(c3)C(=O)N4CCc5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L14 compound treatment 1.026 0.00231 0.07 0.987 -0.037 -1.09 -0.7262 -0.6626 3118202 ChemDiv3_002720 NC1=NC(=O)CC(S1)C(=O)Nc2cccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L15 compound treatment 1.009 -0.0147 -0.43 1.014 -0.01 -0.3 -0.5099 -0.9842 1548630 ChemDiv3_002721 O=C(Nc1cccnc1)C2c3ccccc3Oc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L16 compound treatment 1.024 3.1E-4 0.01 1.028 0.004 0.12 0.09 0.7587 1634226 ChemDiv3_002722 CCCCc1cc(=O)oc2cc(OCC(=O)N)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L17 compound treatment 1.021 -0.00269 -0.08 1.041 0.017 0.5 0.3003 0.5905 3022089 ChemDiv3_002723 COc1ccc(/C=N/n2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L18 compound treatment 1.009 -0.0147 -0.43 1.024 0.0 0.0 -0.3008 -0.7071 1718796 ChemDiv3_002724 COc1ccc2c(c1)c(=O)oc3cc(O)ccc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L19 compound treatment 1.008 -0.0157 -0.45 1.021 -0.003 -0.09 -0.384 -0.8295 1232639 ChemDiv3_002725 COc1ccc(CC(=O)NCC2COc3ccccc3O2)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L20 compound treatment 1.014 -0.00969 -0.28 1.021 -0.003 -0.09 -0.2611 -0.8873 1182221 ChemDiv3_002726 CC(C[N+](C)(C)C)OC(=O)C1(CCCC1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L21 compound treatment 1.006 -0.0177 -0.51 1.019 -0.005 -0.15 -0.4668 -0.8754 1251764 ChemDiv3_002727 COc1ccc(Nc2nc3ccccc3c(=O)s2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L22 compound treatment 1.189 0.165 4.79 1.168 0.144 4.26 6.3958 0.9983 1678958 ChemDiv3_002728 Nc1cc(N)nc(SCCC(=O)O)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L23 mock treatment 1.015 -0.00869 -0.25 1.012 -0.012 -0.35 -0.4288 -0.9858 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 L24 mock treatment 1.109 0.0853 2.47 1.126 0.102 3.02 3.8795 0.9951 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M01 compound treatment 1.011 -0.0127 -0.37 1.003 -0.021 -0.62 -0.6989 -0.9687 3022148 ChemDiv3_002729 CCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M02 compound treatment 0.999 -0.0247 -0.72 1.001 -0.023 -0.68 -0.9865 -0.9997 1694723 ChemDiv3_002730 CN(C(=O)c1ccccc1)c2ccc(OCC(=O)NC3CCS(=O)(=O)C3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M03 compound treatment 1.365 0.341 9.88 1.327 0.303 8.96 13.3241 0.9988 3022151 ChemDiv3_002731 CCOC(=O)c1ccc(CSc2nnc(C)[nH]2)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M04 compound treatment 1.002 -0.0217 -0.63 0.985 -0.039 -1.15 -1.2595 -0.9592 3118336 ChemDiv3_002732 Cc1cs/c(=N\c2c(C)cc(C)cc2C)/n1Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M05 compound treatment 0.985 -0.0387 -1.12 0.999 -0.025 -0.74 -1.315 -0.9796 1606325 ChemDiv3_002733 CC(C)CN(CC(C)C)Cc1c(O)ccc2c3ccccc3c(=O)oc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M06 compound treatment 0.997 -0.0267 -0.77 0.992 -0.032 -0.95 -1.2156 -0.995 3118337 ChemDiv3_002734 COc1ccc(/C=C\2/C(=O)c3ccc(cc3C2=O)C(=O)O)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M07 compound treatment 1.024 3.1E-4 0.01 1.018 -0.006 -0.18 -0.1191 -0.6704 2083900 ChemDiv3_002735 c1nnc2c3c(csc3ncn12)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M08 compound treatment 1.067 0.0433 1.25 1.041 0.017 0.5 1.2423 0.9194 3118338 ChemDiv3_002736 Cc1ccc(cc1)S(=O)(=O)/N=C(\N2CCOCC2)/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M09 compound treatment 1.011 -0.0127 -0.37 1.005 -0.019 -0.56 -0.6571 -0.9788 1710664 ChemDiv3_002737 Fc1ccc(cc1)C(=O)N2CCCCC(Sc3nnc4sc5ccccc5n34)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M10 compound treatment 0.979 -0.0447 -1.29 0.983 -0.041 -1.21 -1.7723 -0.9995 1699392 ChemDiv3_002738 CCOc1ccc(cc1)C(=O)SC2=NCCS2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M11 compound treatment 1.01 -0.0137 -0.4 0.992 -0.032 -0.95 -0.9493 -0.9254 1284546 ChemDiv3_002739 O=C(Nc1ncnc2oc(c(c3ccccc3)c12)c4ccccc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M12 compound treatment 0.983 -0.0407 -1.18 1.008 -0.016 -0.47 -1.1678 -0.9196 3022508 ChemDiv3_002740 CCN(CC)/C=N/c1sc2CCCCCc2c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M13 compound treatment 1.008 -0.0157 -0.45 0.995 -0.029 -0.86 -0.9276 -0.9559 1622887 ChemDiv3_002741 Cc1ccc(cc1)N(CC(O)Cn2c3ccccc3c4ccccc24)S(=O)(=O)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M14 compound treatment 0.995 -0.0287 -0.83 1.002 -0.022 -0.65 -1.0475 -0.9927 3022512 ChemDiv3_002742 Clc1ccc(c2ncnn2c3ccccc3)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M15 compound treatment 0.998 -0.0257 -0.74 0.988 -0.036 -1.06 -1.2787 -0.9847 3118339 ChemDiv3_002743 CC1=C(C(C2=C(CCCC2=O)N1)c3ccccc3)C(=O)Nc4cccc(c4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M16 compound treatment 0.987 -0.0367 -1.06 1.03 0.006 0.18 -0.6259 -0.581 1137028 ChemDiv3_002744 COc1ccccc1Nc2nc(cs2)C3(C)CCC(=O)O3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M17 compound treatment 1.029 0.00531 0.15 1.007 -0.017 -0.5 -0.2467 -0.4693 3118340 ChemDiv3_002745 COC(=O)C/1=C(C)N(CC(C)C)C(=O)\C1=C/c2ccco2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M18 compound treatment 1.011 -0.0127 -0.37 1.021 -0.003 -0.09 -0.3226 -0.8533 3022519 ChemDiv3_002746 CC(=O)N1C(CC(=Nc2ccccc12)c3ccc(C)cc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M19 compound treatment 0.992 -0.0317 -0.92 0.997 -0.027 -0.8 -1.2134 -0.9976 1581924 ChemDiv3_002747 CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M20 compound treatment 1.039 0.0153 0.44 1.05 0.026 0.77 0.8571 0.9658 1383371 ChemDiv3_002748 O=C(Cc1ccccc1)NCCc2c[nH]c3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M21 compound treatment 1.014 -0.00969 -0.28 0.987 -0.037 -1.09 -0.972 -0.8606 3118341 ChemDiv3_002749 O=C1C2C(C(C=CC2c3ccccc3)c4ccccc4)C(=O)N1c5nccs5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M22 compound treatment 0.995 -0.0287 -0.83 0.999 -0.025 -0.74 -1.1102 -0.9983 1556611 ChemDiv3_002750 CC(Oc1ccccc1)C(=O)NC2CCSC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M23 mock treatment 0.944 -0.0797 -2.31 0.96 -0.064 -1.89 -2.9699 -0.9951 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 M24 mock treatment 0.998 -0.0257 -0.74 1.002 -0.022 -0.65 -0.986 -0.9978 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N01 compound treatment 0.996 -0.0277 -0.8 1.009 -0.015 -0.44 -0.8806 -0.961 3022523 ChemDiv3_002751 COC(=O)c1c(O)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N02 compound treatment 0.987 -0.0367 -1.06 0.998 -0.026 -0.77 -1.2949 -0.9874 1922259 ChemDiv3_002752 OC(CC(=O)c1ccccc1)(c2ccccc2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N03 compound treatment 0.992 -0.0317 -0.92 1.002 -0.022 -0.65 -1.1089 -0.9858 1390281 ChemDiv3_002753 Cc1cccc(Nc2nnc(c3ccc(C)c(c3)S(=O)(=O)NCCO)c4ccccc24)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N04 compound treatment 1.043 0.0193 0.56 1.094 0.07 2.07 1.8589 0.8671 1601095 ChemDiv3_002754 CC(SC(=S)N1CCCC1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N05 compound treatment 1.0 -0.0237 -0.69 1.003 -0.021 -0.62 -0.9242 -0.9988 3021727 ChemDiv3_002755 O=C/1/C(=C/c2ccccn2)/CN(Cc3ccccc3)C\C1=C\c4ccccn4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N06 compound treatment 1.049 0.0253 0.73 1.037 0.013 0.38 0.7901 0.9546 3118342 ChemDiv3_002756 COC(=O)C(F)(F)Sc1c(C)[nH]c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N07 compound treatment 1.053 0.0293 0.85 1.033 0.009 0.27 0.7884 0.8862 3021729 ChemDiv3_002757 Cc1ccc(SCC(=O)Nc2nncs2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N08 compound treatment 1.005 -0.0187 -0.54 0.987 -0.037 -1.09 -1.1563 -0.9474 1320903 ChemDiv3_002758 C(Oc1c2CCCCc2nc3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N09 compound treatment 1.0 -0.0237 -0.69 0.997 -0.027 -0.8 -1.0496 -0.9972 2080577 ChemDiv3_002759 Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N10 compound treatment 1.008 -0.0157 -0.45 0.985 -0.039 -1.15 -1.1367 -0.9171 3021733 ChemDiv3_002760 Oc1cccc(NC(=O)CN2C(=O)S/C(=C\C=C\c3ccccc3)/C2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N11 compound treatment 0.992 -0.0317 -0.92 0.991 -0.033 -0.98 -1.3389 -0.9995 3118344 ChemDiv3_002761 O=C(COc1ccccc1)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N12 compound treatment 1.004 -0.0197 -0.57 0.999 -0.025 -0.74 -0.9259 -0.9918 3021735 ChemDiv3_002762 O=C/1ON=C(\C1=C\c2ccco2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N13 compound treatment 0.998 -0.0257 -0.74 1.006 -0.018 -0.53 -0.9024 -0.9865 1207240 ChemDiv3_002763 COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)cc(c1)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N14 compound treatment 0.992 -0.0317 -0.92 0.988 -0.036 -1.06 -1.4016 -0.9973 3118345 ChemDiv3_002764 Cc1cc(C)c2nc(NC3=NC(CC(=O)N3)c4ccccc4)nc(C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N15 compound treatment 1.003 -0.0207 -0.6 1.001 -0.023 -0.68 -0.9045 -0.998 3021737 ChemDiv3_002765 CC1CCCCN1C(=O)N2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N16 compound treatment 1.004 -0.0197 -0.57 1.0 -0.024 -0.71 -0.905 -0.9941 1353095 ChemDiv3_002766 CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N17 compound treatment 1.019 -0.00469 -0.14 1.03 0.006 0.18 0.0294 0.1316 3021779 ChemDiv3_002767 COc1ccc(/C=N/n2cnc3c4cc(OC)ccc4[nH]c3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N18 compound treatment 1.008 -0.0157 -0.45 1.003 -0.021 -0.62 -0.7603 -0.9882 1231038 ChemDiv3_002768 CC(=CCOc1cc(C)cc2oc(=O)cc(c3ccccc3)c12)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N19 compound treatment 0.988 -0.0357 -1.03 0.997 -0.027 -0.8 -1.2953 -0.9919 3021783 ChemDiv3_002769 CCOC(=O)c1ccc(Oc2cc(C)nc(SC)n2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N20 compound treatment 0.986 -0.0377 -1.09 0.992 -0.032 -0.95 -1.4408 -0.9975 3118346 ChemDiv3_002770 COC(=O)C/1=C(C)N(C2CCCCC2)C(=O)\C1=C/c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N21 compound treatment 1.007 -0.0167 -0.48 1.035 0.011 0.33 -0.1118 -0.1919 1457554 ChemDiv3_002771 CC1CC(N(C(=O)c2ccc(Cl)cc2)c3ccccc3)c4ccccc4N1C(=O)c5ccco5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N22 compound treatment 1.062 0.0383 1.11 1.046 0.022 0.65 1.2445 0.9676 1383040 ChemDiv3_002772 CC1(C)CC(=O)C2=C(C1)OC(C(=C2N)C#N)c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N23 mock treatment 0.946 -0.0777 -2.25 0.963 -0.061 -1.8 -2.8662 -0.994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 N24 mock treatment 1.023 -6.9E-4 -0.02 1.004 -0.02 -0.59 -0.4323 -0.7306 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O01 compound treatment 1.01 -0.0137 -0.4 1.028 0.004 0.12 -0.1967 -0.4755 3118347 ChemDiv3_002773 COc1ccc(/C=C/2\CCc3ccccc3C2=O)cc1CN4CCOCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O02 compound treatment 1.003 -0.0207 -0.6 1.028 0.004 0.12 -0.3401 -0.5568 1056982 ChemDiv3_002774 C=CCn1c(=O)c2ccccc2[nH]c1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O03 compound treatment 1.011 -0.0127 -0.37 1.016 -0.008 -0.24 -0.4271 -0.9773 3021791 ChemDiv3_002775 COc1ccc(N/C=C/C(=O)c2ccc3OCOc3c2)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O04 compound treatment 1.024 3.1E-4 0.01 1.032 0.008 0.24 0.1736 0.7334 3118348 ChemDiv3_002776 O=c1[nH]c(SCc2nnc(Nc3ccccc3)s2)nc4sc5CCCc5c14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O05 compound treatment 1.019 -0.00469 -0.14 1.016 -0.008 -0.24 -0.2633 -0.9653 3021793 ChemDiv3_002777 CN(C)C(=O)/C(=C\c1ccccc1)/NC(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O06 compound treatment 1.018 -0.00569 -0.16 1.024 0.0 0.0 -0.1165 -0.7071 3021837 ChemDiv3_002778 COc1ccc(cc1)N2C(=O)/C(=C\c3ccc(cc3)C(C)C)/C(=O)NC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O07 compound treatment 1.012 -0.0117 -0.34 1.023 -0.001 -0.03 -0.2603 -0.7659 3118349 ChemDiv3_002779 Cc1nc(SCC(=O)Nc2ccc(cc2)c3ccccc3)c4c5CCCc5sc4n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O08 compound treatment 1.236 0.212 6.15 1.262 0.238 7.04 9.3235 0.9977 3118350 ChemDiv3_002780 CN(C1CC(CCC1O)C=C)C(=S)Nc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O09 compound treatment 1.036 0.0123 0.36 1.051 0.027 0.8 0.8166 0.934 3021841 ChemDiv3_002781 COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O10 compound treatment 1.008 -0.0157 -0.45 1.012 -0.012 -0.35 -0.5722 -0.9925 3021843 ChemDiv3_002782 CSc1nnc2nc(C)cc(C)n12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O11 compound treatment 1.002 -0.0217 -0.63 1.023 -0.001 -0.03 -0.4651 -0.7396 1724528 ChemDiv3_002783 COc1ccc(cc1)c2cc(O)c3c(C)oc(C)c3c(=O)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O12 compound treatment 1.043 0.0193 0.56 1.052 0.028 0.83 0.9808 0.9818 3021847 ChemDiv3_002784 N#Cc1c(/N=C/N2CCCC2)sc3CCCCCc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O13 compound treatment 1.018 -0.00569 -0.16 1.027 0.003 0.09 -0.0538 -0.2875 1183146 ChemDiv3_002785 COc1ccccc1N(CC(O)CN2CCOCC2)S(=O)(=O)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O14 compound treatment 1.012 -0.0117 -0.34 1.015 -0.009 -0.27 -0.4275 -0.9929 3118480 ChemDiv3_002786 CCc1ccc(cc1)c2ncnn2c3cccc(Cl)c3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O15 compound treatment 1.021 -0.00269 -0.08 1.017 -0.007 -0.21 -0.2014 -0.9109 1452275 ChemDiv3_002787 CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c3ccsc3)C(=O)Nc4ccccc4F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O16 compound treatment 1.046 0.0223 0.65 1.051 0.027 0.8 1.0214 0.9945 1482352 ChemDiv3_002788 Cc1ccccc1n2c(SCCc3ccccc3)nc4ccccc4c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O17 compound treatment 1.035 0.0113 0.33 1.043 0.019 0.56 0.6288 0.967 3118481 ChemDiv3_002789 COC(=O)C1=C(C)N/C(=C/c2cccc3ccccc23)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O18 compound treatment 1.008 -0.0157 -0.45 1.028 0.004 0.12 -0.2377 -0.5062 1554516 ChemDiv3_002790 Nc1c(sc2nc3CCCCc3cc12)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O19 compound treatment 1.026 0.00231 0.07 1.043 0.019 0.56 0.4445 0.7858 3021899 ChemDiv3_002791 COC(=O)C/1=C(C)N(C(=O)\C1=C/c2ccco2)c3ccc(cc3)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O20 compound treatment 1.059 0.0353 1.02 1.094 0.07 2.07 2.1866 0.9472 3118482 ChemDiv3_002792 CC(C)N1CCN(Cc2ccccc2C)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O21 compound treatment 1.044 0.0203 0.59 1.071 0.047 1.39 1.3985 0.9268 3021901 ChemDiv3_002793 COc1ccc(/C=N/CC2OCCc3ccccc23)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O22 compound treatment 0.969 -0.0547 -1.58 0.98 -0.044 -1.3 -2.0398 -0.9952 1628838 ChemDiv3_002794 O=C(CN1C(=O)c2ccccc2C1=O)Nc3ccccc3C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O23 mock treatment 1.029 0.00531 0.15 1.044 0.02 0.59 0.5269 0.8623 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 O24 mock treatment 1.02 -0.00369 -0.11 1.023 -0.001 -0.03 -0.0965 -0.8701 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P01 compound treatment 0.994 -0.0297 -0.86 1.012 -0.012 -0.35 -0.8589 -0.9234 3021904 ChemDiv3_002795 CC(=O)ON(Cc1c(C)no[n+]1[O-])Cc2c(C)no[n+]2[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P02 compound treatment 1.022 -0.00169 -0.05 1.037 0.013 0.38 0.2372 0.6121 3118483 ChemDiv3_002796 COc1ccc2C(=O)CC(O)(Oc2c1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P03 compound treatment 1.01 -0.0137 -0.4 1.035 0.011 0.33 -0.0504 -0.0982 1283255 ChemDiv3_002797 Cc1ccc(cc1S(=O)(=O)NC(C)(C)C)c2nnc(Nc3ccccc3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P04 compound treatment 1.061 0.0373 1.08 1.04 0.016 0.47 1.0986 0.9313 1048670 ChemDiv3_002798 CC(SC(=S)N1CCOCC1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P05 compound treatment 0.999 -0.0247 -0.72 1.019 -0.005 -0.15 -0.6101 -0.8356 1197963 ChemDiv3_002799 C=CCn1c(SCC(=O)NCCc2ccccc2)nc3sc4CCCCc4c3c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P06 compound treatment 1.09 0.0663 1.92 1.076 0.052 1.54 2.4451 0.9939 3118484 ChemDiv3_002800 Cc1cc[n+](CC2OCc3ccccc3CO2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P07 compound treatment 1.019 -0.00469 -0.14 1.022 -0.002 -0.06 -0.1378 -0.9306 1171875 ChemDiv3_002801 CCc1nn(c2ccccc2)c3nc(c4ccccc4O)c5cc(OC)c(OC)cc5c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P08 compound treatment 1.035 0.0113 0.33 1.05 0.026 0.77 0.7752 0.9277 1487683 ChemDiv3_002802 O=C(CC1CCCCCCCCCCC1)N2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P09 compound treatment 1.013 -0.0107 -0.31 1.026 0.002 0.06 -0.1771 -0.5619 1780370 ChemDiv3_002803 OC(=O)CCn1cc(I)c(=O)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P10 compound treatment 1.025 0.00131 0.04 1.018 -0.006 -0.18 -0.0986 -0.5435 1734593 ChemDiv3_002804 Oc1cccc(NC(=O)CC2SC(=O)N(CN3CCOCC3)C2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P11 compound treatment 1.0 -0.0237 -0.69 1.001 -0.023 -0.68 -0.966 -1.0 1328370 ChemDiv3_002805 CCSc1nc2sc-3c(CCc4ccccc34)c2c(=O)n1CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P12 compound treatment 1.029 0.00531 0.15 1.05 0.026 0.77 0.6523 0.8321 3021746 ChemDiv3_002806 CN(C)c1ccc(/C=C/2\C(=NOC2=O)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P13 compound treatment 1.03 0.00631 0.18 1.057 0.033 0.98 0.8191 0.8252 1517507 ChemDiv3_002807 COC(=O)c1ccccc1NC(=O)c2cc(OC)cc(OC)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P14 compound treatment 1.014 -0.00969 -0.28 1.025 0.001 0.03 -0.1775 -0.6291 3118485 ChemDiv3_002808 CCN(CC)C(=O)Oc1c(Br)cc(Br)c2ccc(C)nc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P15 compound treatment 1.022 -0.00169 -0.05 1.019 -0.005 -0.15 -0.1391 -0.8935 1715468 ChemDiv3_002809 CN(C)c1ccc(cc1)c2nc3c(n2C)c4ccccc4c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P16 compound treatment 1.031 0.00731 0.21 1.009 -0.015 -0.44 -0.1639 -0.3335 1216146 ChemDiv3_002810 Cc1c(Cc2ccccc2)c(=O)oc3cc(OC4CCCCC4=O)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P17 compound treatment 1.346 0.322 9.33 1.401 0.377 11.15 14.4821 0.9961 1162913 ChemDiv3_002811 CCOCc1cnc(C)nc1NCC(=O)c2c(C)[nH]c3cc(C)ccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P18 compound treatment 1.006 -0.0177 -0.51 1.034 0.01 0.3 -0.1532 -0.259 3118486 ChemDiv3_002812 Cc1cc(OCc2cccc(c2)C(F)(F)F)c3c4CCCc4c(=O)oc3c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P19 compound treatment 1.022 -0.00169 -0.05 1.034 0.01 0.3 0.1745 0.5822 1641373 ChemDiv3_002813 Cn1nnc2c(sc3nc(N4CCOCC4)c5CCCCc5c32)c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P20 compound treatment 1.221 0.197 5.71 1.222 0.198 5.85 8.1801 0.9999 1204217 ChemDiv3_002814 COC1(COc2ccccc2O1)C(=O)NN 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P21 compound treatment 1.012 -0.0117 -0.34 1.025 0.001 0.03 -0.2185 -0.6429 1515951 ChemDiv3_002815 Cc1ccc2N(C(=O)c3ccncc3)C(C)(C)c4ssc(=S)c4-c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P22 compound treatment 1.016 -0.00769 -0.22 1.038 0.014 0.41 0.1352 0.2877 3118487 ChemDiv3_002816 Clc1ccc2nc(cc(c3ccccc3)c2c1)c4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P23 mock treatment 1.03 0.00631 0.18 1.042 0.018 0.53 0.5055 0.8984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2008 P24 mock treatment 1.008 -0.0157 -0.45 1.008 -0.016 -0.47 -0.6558 -0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A01 compound treatment 1.009 -0.0185 -0.54 1.001 -0.0218 -0.64 -0.8337 -0.9958 3021807 ChemDiv3_002817 CC(=O)Nc1nc(NC(=O)C)n(n1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A02 compound treatment 0.997 -0.0305 -0.88 0.997 -0.0258 -0.76 -1.1631 -0.9973 3118488 ChemDiv3_002818 Fc1cccc(c1)N2C(=O)NC(=O)/C(=C\c3cn(CC#N)c4ccccc34)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A03 compound treatment 1.058 0.0305 0.88 1.039 0.0162 0.48 0.9641 0.9588 3021809 ChemDiv3_002819 COc1cccc(/C=N/n2cnc3sc4CCCCc4c3c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A04 compound treatment 1.009 -0.0185 -0.54 1.006 -0.0168 -0.5 -0.7292 -0.9993 3118489 ChemDiv3_002820 CCCOC(=O)c1cc(ccc1Cl)c2ccc(/C=C\3/C(=C(C#N)C(=O)N(CCO)C3=O)C)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A05 compound treatment 1.009 -0.0185 -0.54 1.006 -0.0168 -0.5 -0.7292 -0.9993 1538576 ChemDiv3_002821 CCc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A06 compound treatment 1.003 -0.0245 -0.71 1.002 -0.0208 -0.61 -0.9357 -0.9974 1182782 ChemDiv3_002822 CC[N+]1(CCC2CC1)CC2C(=O)c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A07 compound treatment 1.08 0.0525 1.52 1.063 0.0402 1.19 1.9164 0.9926 1424746 ChemDiv3_002823 CCOC(=O)N1CCN(CC(O)COCc2ccc(Cl)cc2)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A08 compound treatment 1.084 0.0565 1.64 1.064 0.0412 1.22 2.0192 0.9895 3118490 ChemDiv3_002824 CN(C)/C=N/c1ncc2c3ccccc3[nH]c2c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A09 compound treatment 1.058 0.0305 0.88 1.051 0.0282 0.83 1.215 0.9996 1484360 ChemDiv3_002825 CCCS(=O)(=O)N1CCN(Cc2ccco2)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A10 compound treatment 1.002 -0.0255 -0.74 1.006 -0.0168 -0.5 -0.8726 -0.9813 3118491 ChemDiv3_002826 N/C(=C(\C=C\1/Nc2ccccc2C1=O)/C#N)/NCCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A11 compound treatment 0.997 -0.0305 -0.88 0.992 -0.0308 -0.91 -1.2676 -0.9999 3021864 ChemDiv3_002827 CN1C(=O)N(C)C(=O)C(=Cc2cn(CC(=O)NCc3ccco3)c4ccccc24)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A12 compound treatment 0.988 -0.0395 -1.14 0.991 -0.0318 -0.94 -1.4729 -0.9952 1374824 ChemDiv3_002828 Nc1c(C#N)c2CCCn2c1C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A13 compound treatment 1.008 -0.0195 -0.56 1.006 -0.0168 -0.5 -0.7497 -0.9979 1492318 ChemDiv3_002829 CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)Nc3nc(c(C)s3)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A14 compound treatment 1.048 0.0205 0.59 1.035 0.0122 0.36 0.6757 0.9716 1193090 ChemDiv3_002830 CC1(C)CC(=O)c2cc(C#N)c(SCc3ccccc3)nc2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A15 compound treatment 0.993 -0.0345 -1.0 0.987 -0.0358 -1.06 -1.4541 -0.9996 1464685 ChemDiv3_002831 Cc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A16 compound treatment 1.019 -0.00848 -0.25 1.014 -0.00877 -0.26 -0.3572 -0.9996 3118492 ChemDiv3_002832 CCOc1ccc(CSc2nnc(CC)[nH]2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A17 compound treatment 1.018 -0.00948 -0.27 1.008 -0.0148 -0.44 -0.5031 -0.975 1729504 ChemDiv3_002833 CCCC(=O)Nn1cnc2-c3ccccc3CC4(CCCC4)c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A18 compound treatment 1.004 -0.0235 -0.68 1.009 -0.0138 -0.41 -0.7689 -0.9699 3021919 ChemDiv3_002834 CN(C)c1ccc(/C=C/C=C\2/C(=O)NC(=O)N(C2=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A19 compound treatment 1.007 -0.0205 -0.59 1.005 -0.0178 -0.53 -0.7911 -0.9982 3118493 ChemDiv3_002835 Cc1ccc(/N=C\c2cc3ccccc3nc2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A20 compound treatment 1.001 -0.0265 -0.77 1.003 -0.0198 -0.58 -0.9558 -0.991 3118617 ChemDiv3_002836 CC1CN(Cc2c(O)ccc3c(=O)c(Oc4cc(C)cc(C)c4)c(oc23)C(F)(F)F)CC(C)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A21 compound treatment 1.014 -0.0135 -0.39 1.012 -0.0108 -0.32 -0.5014 -0.9949 3021923 ChemDiv3_002837 COc1ccc(/C=C\2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A22 compound treatment 1.053 0.0255 0.74 1.048 0.0252 0.75 1.0499 1.0 3118618 ChemDiv3_002838 COc1ccc2nc(N3CCCCC3)c(/C=C/4\SC(=S)NC4=O)cc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A23 mock treatment 1.021 -0.00648 -0.19 1.011 -0.0118 -0.35 -0.3789 -0.958 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 A24 mock treatment 1.026 -0.00148 -0.04 1.02 -0.00277 -0.08 -0.0884 -0.9545 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B01 compound treatment 1.016 -0.0115 -0.33 0.986 -0.0368 -1.09 -1.004 -0.883 3021926 ChemDiv3_002839 CCN1C(=O)/C(=C/C=C\2/CCCN2C)/N(C1=S)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B02 compound treatment 1.008 -0.0195 -0.56 0.992 -0.0308 -0.91 -1.0424 -0.9736 1353210 ChemDiv3_002840 CC(C)(SC(=S)N1CCCCCC1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B03 compound treatment 1.117 0.0895 2.59 1.107 0.0842 2.49 3.594 0.9998 1173431 ChemDiv3_002841 O=C(N(Cc1ccccc1)Cc2ccccc2)c3cc4ccccc4oc3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B04 compound treatment 1.032 0.00452 0.13 1.036 0.0132 0.39 0.369 0.8949 3118619 ChemDiv3_002842 Cc1nc(SCC(=O)O)c2oc3ccccc3c2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B05 compound treatment 1.028 5.16E-4 0.01 1.014 -0.00877 -0.26 -0.1729 -0.6653 1513490 ChemDiv3_002843 COc1ccc(cc1OC)C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B06 compound treatment 1.024 -0.00348 -0.1 1.012 -0.0108 -0.32 -0.2966 -0.8876 3022740 ChemDiv3_002844 FC(F)(F)c1cccc(/N=C\2/NC(=O)/C(=C\3/C(=O)Nc4ccccc34)/S2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B07 compound treatment 0.948 -0.0795 -2.3 0.959 -0.0638 -1.89 -2.961 -0.9951 3022741 ChemDiv3_002845 CCCSc1nc(=O)cc(C)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B08 compound treatment 0.993 -0.0345 -1.0 0.995 -0.0278 -0.82 -1.2868 -0.9953 1155824 ChemDiv3_002846 CC1CN(CC(C)O1)c2nc(nc3ccccc23)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B09 compound treatment 1.032 0.00452 0.13 1.016 -0.00677 -0.2 -0.0491 -0.2054 1210251 ChemDiv3_002847 COc1ccc(cc1OC)C2SCC(=O)N2CCCN(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B10 compound treatment 0.995 -0.0325 -0.94 0.997 -0.0258 -0.76 -1.2041 -0.9945 3022742 ChemDiv3_002848 Cc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc4cccc5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B11 compound treatment 0.999 -0.0285 -0.82 0.999 -0.0238 -0.7 -1.0803 -0.9968 1728781 ChemDiv3_002849 Cc1ccc(cc1)n2c(NN)nc3sc4CCCCc4c3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B12 compound treatment 1.01 -0.0175 -0.51 1.012 -0.0108 -0.32 -0.5833 -0.9751 3118620 ChemDiv3_002850 CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)C2CC3CC4CC3CC2C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B13 compound treatment 0.987 -0.0405 -1.17 0.987 -0.0358 -1.06 -1.577 -0.9987 1660469 ChemDiv3_002851 COc1ccccc1NC(=O)c2ccc3C(=O)N(CC4CCCO4)C(=O)c3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B14 compound treatment 0.969 -0.0585 -1.69 0.968 -0.0548 -1.62 -2.3428 -0.9997 1602268 ChemDiv3_002852 O=S(=O)(c1nc(Cc2ccccc2)oc1N3CCOCC3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B15 compound treatment 1.021 -0.00648 -0.19 1.015 -0.00777 -0.23 -0.2953 -0.995 3022743 ChemDiv3_002853 CN(C)c1ccc(/C=C/2\C(=C(C#N)C(=O)NC2=O)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B16 compound treatment 1.002 -0.0255 -0.74 1.009 -0.0138 -0.41 -0.8098 -0.9607 1569371 ChemDiv3_002854 Clc1ccc(CS(=O)(=O)CCSc2nc3CCCCc3cc2C#N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B17 compound treatment 1.016 -0.0115 -0.33 1.02 -0.00277 -0.08 -0.2932 -0.8559 1481179 ChemDiv3_002855 C=CCNc1oc(nc1C#N)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B18 compound treatment 1.001 -0.0265 -0.77 1.01 -0.0128 -0.38 -0.8094 -0.9467 3118621 ChemDiv3_002856 CCS(=O)CCSc1nc(cc(c1C#N)c2ccccc2)c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B19 compound treatment 1.012 -0.0155 -0.45 1.014 -0.00877 -0.26 -0.5005 -0.9662 1278163 ChemDiv3_002857 CCN(CC)S(=O)(=O)c1ccc(cc1)c2cn3ccccc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B20 compound treatment 0.999 -0.0285 -0.82 1.006 -0.0168 -0.5 -0.934 -0.9704 3118622 ChemDiv3_002858 Nc1c(sc2nc(cc(c3ccccc3)c12)c4cccs4)S(=O)Cc5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B21 compound treatment 1.002 -0.0255 -0.74 0.995 -0.0278 -0.82 -1.1025 -0.9986 3022744 ChemDiv3_002859 Brc1ccc(cc1)C(=O)NCC(=O)NC2=NCCS2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B22 compound treatment 1.056 0.0285 0.83 1.055 0.0322 0.95 1.2577 0.9975 3118623 ChemDiv3_002860 Cc1cc(C)nc(SCCS(=O)Cc2ccc(Cl)cc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B23 mock treatment 1.009 -0.0185 -0.54 0.995 -0.0278 -0.82 -0.9592 -0.9785 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 B24 mock treatment 1.003 -0.0245 -0.71 0.989 -0.0338 -1.0 -1.2075 -0.9859 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C01 compound treatment 1.033 0.00552 0.16 1.031 0.00823 0.24 0.2849 0.9792 3118624 ChemDiv3_002861 CC1(C)C2CCC1(C)c3nc(SCC(=O)Nc4cccc(c4)C(F)(F)F)nnc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C02 compound treatment 1.018 -0.00948 -0.27 1.021 -0.00177 -0.05 -0.2313 -0.8272 3022745 ChemDiv3_002862 CN(C)c1ccc(/C=C/C=C2C(=O)c3ccccc3C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C03 compound treatment 1.028 5.16E-4 0.01 1.023 2.26E-4 0.01 0.0153 0.934 3022746 ChemDiv3_002863 Cc1ccc(/C=N/n2cnc3sc4CCCCc4c3c2=O)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C04 compound treatment 1.022 -0.00548 -0.16 1.023 2.26E-4 0.01 -0.1076 -0.6768 3118625 ChemDiv3_002864 CCOC(=O)C/C(=N/c1ncn(c1C(=O)c2ccccc2)c3ccc(OC)cc3)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C05 compound treatment 1.028 5.16E-4 0.01 1.026 0.00323 0.1 0.078 0.8081 3022747 ChemDiv3_002865 N=c1[cH-][n+](CC2(CC3CC4CC(C3)C2)C4)no1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C06 compound treatment 1.013 -0.0145 -0.42 1.016 -0.00677 -0.2 -0.4382 -0.9428 3118626 ChemDiv3_002866 O=C(OC1CN2CCC1CC2)C3(CC4CC5CC(C4)C3)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C07 compound treatment 1.104 0.0765 2.22 1.114 0.0912 2.7 3.4741 0.9952 3118627 ChemDiv3_002867 Cc1sc2nc(SC/C=C/c3ccccc3)nc(N)c2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C08 compound treatment 1.023 -0.00448 -0.13 1.016 -0.00677 -0.2 -0.2334 -0.978 3022748 ChemDiv3_002868 NC(=S)CN1CCCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C09 compound treatment 1.056 0.0285 0.83 1.049 0.0262 0.78 1.1323 0.9995 1579280 ChemDiv3_002869 O=C1NC(Nc2sc3CCCCc3c12)c4ccccn4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C10 compound treatment 1.036 0.00852 0.25 1.038 0.0152 0.45 0.4927 0.9599 3022749 ChemDiv3_002870 N/C(=C(\C=C\1/Nc2ccccc2C1=O)/C#N)/N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C11 compound treatment 1.008 -0.0195 -0.56 1.009 -0.0138 -0.41 -0.687 -0.9872 3118628 ChemDiv3_002871 CN1C(=O)N(C)C(=O)C(=Cc2cn(CC(=O)N3CCCC3)c4ccccc24)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C12 compound treatment 1.177 0.15 4.33 1.159 0.136 4.03 5.9098 0.9993 3022750 ChemDiv3_002872 CCOC(=O)c1c(/N=C/N(C)C)c(C#N)c2CCCn12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C13 compound treatment 1.061 0.0335 0.97 1.06 0.0372 1.1 1.4646 0.998 1221349 ChemDiv3_002873 CCN1CCN(CC1)c2nc(nc3ccccc23)c4ccc(cc4)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C14 compound treatment 1.01 -0.0175 -0.51 1.008 -0.0148 -0.44 -0.6669 -0.9973 1161473 ChemDiv3_002874 CC1(C)CC(=O)c2cc3c(N)c(sc3nc2C1)C(=O)Nc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C15 compound treatment 1.025 -0.00248 -0.07 1.039 0.0162 0.48 0.2884 0.5944 1250012 ChemDiv3_002875 CCOc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c3ccc(C)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C16 compound treatment 0.956 -0.0715 -2.07 0.956 -0.0668 -1.97 -2.8599 -0.9997 3022751 ChemDiv3_002876 CCc1nnc(SCC(=O)O)n1N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C17 compound treatment 1.018 -0.00948 -0.27 1.016 -0.00677 -0.2 -0.3358 -0.988 1283511 ChemDiv3_002877 COc1ccccc1NC(=O)CC(c2ccccc2)c3ccc(C)cc3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C18 compound treatment 1.041 0.0135 0.39 1.042 0.0192 0.57 0.6787 0.9834 3022752 ChemDiv3_002878 CN1C(=O)S/C(=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C19 compound treatment 1.043 0.0155 0.45 1.039 0.0162 0.48 0.657 0.9995 3118629 ChemDiv3_002879 CC/1=NN(C(=O)\C1=C/c2cc3ccccc3nc2O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C20 compound treatment 1.023 -0.00448 -0.13 1.023 2.26E-4 0.01 -0.0871 -0.6699 1430355 ChemDiv3_002880 COc1ccccc1c2coc3cc(OCc4ccc(C)cc4)ccc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C21 compound treatment 1.015 -0.0125 -0.36 1.016 -0.00677 -0.2 -0.3973 -0.9612 1530511 ChemDiv3_002881 Cc1ccc(o1)C(O)c2cccnc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C22 compound treatment 1.006 -0.0215 -0.62 1.007 -0.0158 -0.47 -0.7697 -0.9899 3022753 ChemDiv3_002882 CCOC(=O)c1c(C)[nH]c(/C(=N\O)/C)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C23 mock treatment 1.027 -4.84E-4 -0.01 1.017 -0.00577 -0.17 -0.1306 -0.7626 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 C24 mock treatment 1.052 0.0245 0.71 1.052 0.0292 0.86 1.1131 0.9952 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D01 compound treatment 1.054 0.0265 0.77 1.011 -0.0118 -0.35 0.2968 0.3521 3118630 ChemDiv3_002883 CCn1/c(=C/C=C/2\SC(=S)N(CC=C)C2=O)/c3cccc4cccc1c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D02 compound treatment 1.016 -0.0115 -0.33 1.018 -0.00477 -0.14 -0.335 -0.9272 1561724 ChemDiv3_002884 OC(=O)CCSC(=S)N1CCCC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D03 compound treatment 1.018 -0.00948 -0.27 1.022 -7.74E-4 -0.02 -0.2104 -0.7634 1649229 ChemDiv3_002885 COc1ccc2oc(=N)c(cc2c1)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D04 compound treatment 1.0 -0.0275 -0.8 1.003 -0.0198 -0.58 -0.9762 -0.9885 3118631 ChemDiv3_002886 C(/N=C/c1c2ccccc2cc3ccccc13)c4cccnc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D05 compound treatment 1.025 -0.00248 -0.07 1.026 0.00323 0.1 0.0166 0.1387 3118632 ChemDiv3_002887 COC(=O)C1=CN(C=C(C1c2ccc(F)cc2)C(=O)OC)C3(CC4CC5CC(C4)C3)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D06 compound treatment 1.019 -0.00848 -0.25 1.019 -0.00377 -0.11 -0.2526 -0.9362 3022754 ChemDiv3_002888 Cc1ccc(/C=C\2/SC(=O)NC2=S)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D07 compound treatment 1.119 0.0915 2.65 1.117 0.0942 2.79 3.844 0.9997 3022755 ChemDiv3_002889 COc1ccccc1OCCSc2nnnn2C3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D08 compound treatment 1.022 -0.00548 -0.16 1.02 -0.00277 -0.08 -0.1703 -0.9527 1631453 ChemDiv3_002890 C=CCN(CC=C)c1nc(nc2ccccc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D09 compound treatment 1.019 -0.00848 -0.25 1.016 -0.00677 -0.2 -0.3154 -0.9949 1641006 ChemDiv3_002891 COc1ccc(CC(CC(=O)O)C(=O)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D10 compound treatment 1.01 -0.0175 -0.51 1.009 -0.0138 -0.41 -0.646 -0.9942 3118633 ChemDiv3_002892 Fc1ccccc1Cn2cc(/C=C\3/NC(=O)NC3=O)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D11 compound treatment 1.018 -0.00948 -0.27 1.025 0.00223 0.07 -0.1477 -0.5229 1703384 ChemDiv3_002893 COc1ccc(OCCn2c(nc3ccccc3c2=O)c4ccc(Cl)cc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D12 compound treatment 1.027 -4.84E-4 -0.01 1.032 0.00923 0.27 0.183 0.6699 3022756 ChemDiv3_002894 CN(C)Cc1ccc(C)cc1OC(=O)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D13 compound treatment 1.056 0.0285 0.83 1.06 0.0372 1.1 1.3622 0.99 3022757 ChemDiv3_002895 COc1ccc(cc1)c2noc(n2)c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D14 compound treatment 1.012 -0.0155 -0.45 1.013 -0.00977 -0.29 -0.5214 -0.9774 3118634 ChemDiv3_002896 O=C(NCSC1=NCCS1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D15 compound treatment 1.009 -0.0185 -0.54 1.006 -0.0168 -0.5 -0.7292 -0.9993 3118770 ChemDiv3_002897 COC(=O)c1ccccc1c2ccc(/C=C\3/C(=C(C#N)C(=O)N(C)C3=O)C)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D16 compound treatment 1.017 -0.0105 -0.3 1.017 -0.00577 -0.17 -0.3354 -0.9629 1455196 ChemDiv3_002898 CC(C)(C)c1ccc(cc1)S(=O)(=O)CCSc2nc3CCCCc3cc2C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D17 compound treatment 1.027 -4.84E-4 -0.01 1.032 0.00923 0.27 0.183 0.6699 3118771 ChemDiv3_002899 CN(C)CCCN1C(C(=C(O)C1=O)C(=O)c2ccc(Br)cc2)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D18 compound treatment 1.03 0.00252 0.07 1.027 0.00423 0.12 0.1399 0.9671 1280705 ChemDiv3_002900 COc1ccc(cc1)c2cc(c(C#N)c(n2)S(=O)Cc3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D19 compound treatment 1.052 0.0245 0.71 1.052 0.0292 0.86 1.1131 0.9952 3118772 ChemDiv3_002901 CC(C)Oc1ccc(cc1)c2nn(cc2/C=C(\C#N)/S(=O)(=O)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D20 compound treatment 1.041 0.0135 0.39 1.028 0.00523 0.15 0.386 0.9173 3022758 ChemDiv3_002902 Cc1cc(C)c(C#N)c(SC2CCCCC2=O)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D21 compound treatment 1.025 -0.00248 -0.07 1.028 0.00523 0.15 0.0584 0.3426 3118773 ChemDiv3_002903 CCOC(=O)c1ccc(NC(=O)CNC(=O)C2(CC3CC4CC(C3)C2)C4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D22 compound treatment 1.035 0.00752 0.22 1.037 0.0142 0.42 0.4513 0.953 3022759 ChemDiv3_002904 O=S(CCSc1nc2ccccc2s1)Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D23 mock treatment 1.103 0.0755 2.19 1.099 0.0762 2.25 3.1401 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 D24 mock treatment 1.017 -0.0105 -0.3 1.023 2.26E-4 0.01 -0.21 -0.6914 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E01 compound treatment 1.127 0.0995 2.88 1.023 2.26E-4 0.01 2.0426 0.7087 1223104 ChemDiv3_002905 CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E02 compound treatment 1.029 0.00152 0.04 1.024 0.00123 0.04 0.0567 0.9955 1544828 ChemDiv3_002906 CCCCC(C(=O)N)C1=NC(C)(C)Cc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E03 compound treatment 1.026 -0.00148 -0.04 1.025 0.00223 0.07 0.0161 0.2054 3022760 ChemDiv3_002907 Cc1[nH]c2ccccc2c1/C=N/n3cnc4sc5CCCCc5c4c3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E04 compound treatment 1.042 0.0145 0.42 1.041 0.0182 0.54 0.6783 0.9925 1386791 ChemDiv3_002908 CCOC(=O)c1sc(C)c2c(=O)n(Cc3ccccc3)c(C)nc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E05 compound treatment 1.161 0.134 3.87 1.121 0.0982 2.9 4.7877 0.99 3118774 ChemDiv3_002909 Cc1sc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c(=O)c2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E06 compound treatment 1.038 0.0105 0.3 1.034 0.0112 0.33 0.45 0.9991 1921600 ChemDiv3_002910 Oc1ccccc1N/C=C\2/C(=O)CNC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E07 compound treatment 1.079 0.0515 1.49 1.076 0.0532 1.57 2.1677 0.9996 1551909 ChemDiv3_002911 Cn1c(=O)[nH]c(=O)c2n(Cc3ccc(F)cc3)cnc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E08 compound treatment 1.032 0.00452 0.13 1.035 0.0122 0.36 0.3481 0.9055 3118775 ChemDiv3_002912 COc1ccc(/N=C\2/CCc3ccccc3N2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E09 compound treatment 1.021 -0.00648 -0.19 1.019 -0.00377 -0.11 -0.2117 -0.9691 3022761 ChemDiv3_002913 NC(=O)Cn1cc(/C=C\2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E10 compound treatment 1.032 0.00452 0.13 1.03 0.00723 0.21 0.2435 0.9723 3118776 ChemDiv3_002914 CC(=O)N1/C(=C\NCc2ccccc2)/C(=O)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E11 compound treatment 1.037 0.00952 0.28 1.027 0.00423 0.12 0.2832 0.936 1288465 ChemDiv3_002915 CCCC(=O)Nc1ccc(cc1)c2nc3cc(ccc3o2)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E12 compound treatment 1.027 -4.84E-4 -0.01 1.024 0.00123 0.04 0.0157 0.4045 1138540 ChemDiv3_002916 Cc1ccc(c(C)c1)S(=O)(=O)N2C=Cc3ccccc3C2c4c[nH]c5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E13 compound treatment 1.043 0.0155 0.45 1.046 0.0232 0.69 0.8033 0.9789 3118777 ChemDiv3_002917 CCc1ccc(/N=C/2\NC(=N)c3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E14 compound treatment 1.038 0.0105 0.3 1.04 0.0172 0.51 0.5755 0.9698 1308638 ChemDiv3_002918 Cc1cccc(NC(=O)CSc2nc3CCCCc3c(c4ccco4)c2C#N)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E15 compound treatment 1.008 -0.0195 -0.56 1.009 -0.0138 -0.41 -0.687 -0.9872 1250243 ChemDiv3_002919 COc1ccc(cc1OC)S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc3cccc(Cl)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E16 compound treatment 1.037 0.00952 0.28 1.042 0.0192 0.57 0.5968 0.9448 3118778 ChemDiv3_002920 COC(=O)c1ccc(CSc2nncn2N)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E17 compound treatment 1.021 -0.00648 -0.19 1.019 -0.00377 -0.11 -0.2117 -0.9691 1661835 ChemDiv3_002921 Nn1c(Cc2ccccc2)nc3sc4CCCCc4c3c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E18 compound treatment 1.04 0.0125 0.36 1.034 0.0112 0.33 0.491 0.999 3022812 ChemDiv3_002922 CN1C(=O)S/C(=C\c2ccc(o2)c3ccc(C(=O)O)c(Cl)c3)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E19 compound treatment 1.029 0.00152 0.04 1.026 0.00323 0.1 0.0985 0.938 3022813 ChemDiv3_002923 CC(=O)N/1C(=S)NC(=O)\C1=C\c2cc3cccc(C)c3nc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E20 compound treatment 1.036 0.00852 0.25 1.028 0.00523 0.15 0.2836 0.9746 3022814 ChemDiv3_002924 COC(=O)C1=C(Nc2cccc(c2)C(F)(F)F)SCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E21 compound treatment 1.081 0.0535 1.55 1.082 0.0592 1.75 2.3341 0.9981 3022815 ChemDiv3_002925 CC(C)CC1=NN2C(=NC(=O)/C(=C\c3cccs3)/C2=N)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E22 compound treatment 1.012 -0.0155 -0.45 1.014 -0.00877 -0.26 -0.5005 -0.9662 3022816 ChemDiv3_002926 CCN1C(=O)/C(=C/2\C=Cc3ccccc3N2CC)/OC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E23 mock treatment 1.095 0.0675 1.96 1.075 0.0522 1.54 2.4745 0.9932 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 E24 mock treatment 1.581 0.554 16.03 1.492 0.469 13.87 21.1449 0.9974 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F01 compound treatment 1.027 -4.84E-4 -0.01 1.026 0.00323 0.1 0.0575 0.5968 3118779 ChemDiv3_002927 CCN1/C(=C\C=C\2/N(C)C(=S)N(C)C2=O)/Sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F02 compound treatment 1.02 -0.00748 -0.22 1.013 -0.00977 -0.29 -0.3576 -0.9899 3022817 ChemDiv3_002928 Oc1ccccc1C2=NNC(O)(C2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F03 compound treatment 1.054 0.0265 0.77 1.06 0.0372 1.1 1.3213 0.9845 3118780 ChemDiv3_002929 NC(=O)c/1cc2ccccc2o\c1=N/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F04 compound treatment 1.024 -0.00348 -0.1 1.021 -0.00177 -0.05 -0.1084 -0.9536 1710580 ChemDiv3_002930 OC(=O)c1c(oc2ccc(OCc3ccc(Cl)cc3)cc12)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F05 compound treatment 1.041 0.0135 0.39 1.04 0.0172 0.51 0.6369 0.9915 3022818 ChemDiv3_002931 COC(=O)C(N1C=C(C(C(=C1)C(=O)OC)c2ccc(F)cc2)C(=O)OC)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F06 compound treatment 1.073 0.0455 1.32 1.057 0.0342 1.01 1.6476 0.9915 3118781 ChemDiv3_002932 CC/1=NN(C(=O)\C1=C\c2ccc(o2)c3ccc4C(=O)NC(=O)c4c3)c5ccc(Br)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F07 compound treatment 1.156 0.129 3.72 1.17 0.147 4.35 5.7098 0.997 3022819 ChemDiv3_002933 CCOc1ccc(OCCSc2nnnn2c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F08 compound treatment 1.017 -0.0105 -0.3 1.019 -0.00377 -0.11 -0.2936 -0.9076 3118782 ChemDiv3_002934 CCc1ccc(OCCCC(=O)Oc2ccc3c(c2)oc(=O)c4ccccc43)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F09 compound treatment 1.047 0.0195 0.57 1.039 0.0162 0.48 0.7389 0.9967 1717369 ChemDiv3_002935 Cc1ccc(cc1)N2C(=O)CC(Cc3ccccc3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F10 compound treatment 1.024 -0.00348 -0.1 1.021 -0.00177 -0.05 -0.1084 -0.9536 3118783 ChemDiv3_002936 COc1ccc(/C=C\2/NC(=O)NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F11 compound treatment 1.022 -0.00548 -0.16 1.023 2.26E-4 0.01 -0.1076 -0.6768 3118784 ChemDiv3_002937 Cc1ccc(cc1)N2C3=C(C(C4=C2CC(C)(C)CC4=O)c5cnn(C)c5)C(=O)CC(C)(C)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F12 compound treatment 1.028 5.16E-4 0.01 1.023 2.26E-4 0.01 0.0153 0.934 3022820 ChemDiv3_002938 CN(C)c1ccc(cc1)C2OCC3(CO2)SC4=NCN(C)CN4C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F13 compound treatment 1.033 0.00552 0.16 1.03 0.00723 0.21 0.264 0.9897 3118785 ChemDiv3_002939 COc1ccc(cc1)c2noc(n2)c3ccc(Cl)c(Cl)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F14 compound treatment 1.017 -0.0105 -0.3 1.015 -0.00777 -0.23 -0.3772 -0.9906 1273850 ChemDiv3_002940 Fc1cnc(Nc2cccc(Br)c2)nc1Nc3cccc(Br)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F15 compound treatment 1.04 0.0125 0.36 1.035 0.0122 0.36 0.5119 1.0 3118786 ChemDiv3_002941 COc1cc(/C=C(/NC(=O)c2ccccc2)\C(=O)O)ccc1OCC(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F16 compound treatment 1.002 -0.0255 -0.74 1.003 -0.0198 -0.58 -0.9353 -0.9933 1650847 ChemDiv3_002942 Nc1c(sc2nc3CCCCc3cc12)S(=O)(=O)Cc4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F17 compound treatment 1.04 0.0125 0.36 1.039 0.0162 0.48 0.5955 0.9904 3118787 ChemDiv3_002943 OC(=O)CN1C(=O)/C(=C\2/C(=O)N(CC=C)c3ccc(Br)cc23)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F18 compound treatment 1.017 -0.0105 -0.3 1.02 -0.00277 -0.08 -0.2727 -0.867 1236421 ChemDiv3_002944 CCCCS(=O)CSc1nc(cc(c1C#N)c2ccccc2)c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F19 compound treatment 1.03 0.00252 0.07 1.028 0.00523 0.15 0.1608 0.9412 1355414 ChemDiv3_002945 Cc1ccc2nc(cn2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F20 compound treatment 1.043 0.0155 0.45 1.04 0.0172 0.51 0.6779 0.9981 3118788 ChemDiv3_002946 OC(CSc1nc(cc(c1C#N)c2ccccc2)c3ccccc3)CS(=O)Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F21 compound treatment 1.025 -0.00248 -0.07 1.025 0.00223 0.07 -0.0043 -0.0444 1183876 ChemDiv3_002947 COC(=O)C(C)NC(=O)C1(CC2(C)CC3(C)CC(C)(C2)C1)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F22 compound treatment 1.026 -0.00148 -0.04 1.024 0.00123 0.04 -0.0048 -0.0847 3118789 ChemDiv3_002948 CC(C)(C)c1ccc(cc1)S(=O)(=O)CCSc2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F23 mock treatment 1.051 0.0235 0.68 1.055 0.0322 0.95 1.1553 0.9864 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 F24 mock treatment 1.027 -4.84E-4 -0.01 1.026 0.00323 0.1 0.0575 0.5968 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G01 compound treatment 1.026 -0.00148 -0.04 1.017 -0.00577 -0.17 -0.1511 -0.8583 1222574 ChemDiv3_002949 CCSc1nc2-c3ccccc3CC4(CCCC4)c2c(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G02 compound treatment 1.01 -0.0175 -0.51 1.003 -0.0198 -0.58 -0.7714 -0.9974 3118790 ChemDiv3_002950 CC1(C)Cc2ccccc2CN1C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G03 compound treatment 1.007 -0.0205 -0.59 1.002 -0.0208 -0.61 -0.8538 -0.9998 3022821 ChemDiv3_002951 COCc1cc(C)nc(N)c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G04 compound treatment 1.024 -0.00348 -0.1 1.021 -0.00177 -0.05 -0.1084 -0.9536 1491781 ChemDiv3_002952 COc1ccc(cc1)c2c3CCCc3nc4c(C#N)c(C)n(c5ccccc5)c24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G05 compound treatment 1.063 0.0355 1.03 1.072 0.0492 1.46 1.7564 0.9856 3022822 ChemDiv3_002953 Clc1ccc(cc1)[n+]2[cH-]c(=N)on2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G06 compound treatment 1.021 -0.00648 -0.19 1.019 -0.00377 -0.11 -0.2117 -0.9691 1921290 ChemDiv3_002954 O=C/1CNC(=O)\C1=C/Nc2ccc(cc2)C3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G07 compound treatment 1.103 0.0755 2.19 1.102 0.0792 2.34 3.2028 0.9994 1518514 ChemDiv3_002955 COc1ccc(cc1)C(=O)CSc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G08 compound treatment 0.976 -0.0515 -1.49 0.981 -0.0418 -1.24 -1.9277 -0.9956 3022823 ChemDiv3_002956 NC(=O)/C(=C/1\CCc2ccccc2N1)/C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G09 compound treatment 1.033 0.00552 0.16 1.019 -0.00377 -0.11 0.0341 0.1748 3118928 ChemDiv3_002957 Cc1cc(ccc1/C=C\2/C(=O)NC(=O)N(C3CCCCC3)C2=O)N4Cc5ccccc5C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G10 compound treatment 1.17 0.143 4.13 1.122 0.0992 2.93 4.993 0.986 3022824 ChemDiv3_002958 O=C1/C(=C/N2CCCCC2)/Nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G11 compound treatment 1.025 -0.00248 -0.07 1.022 -7.74E-4 -0.02 -0.0671 -0.8882 3118929 ChemDiv3_002959 CCOC(=O)c1ccc(cc1)c2ccc(/C=c\3/sc4nc5c(C)c(C)ccc5n4c3=O)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G12 compound treatment 1.005 -0.0225 -0.65 1.019 -0.00377 -0.11 -0.5393 -0.8164 1387158 ChemDiv3_002960 CN1CCN(CC1)C(=O)c2cc3c(ccc4ccccc43)oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G13 compound treatment 1.026 -0.00148 -0.04 1.021 -0.00177 -0.05 -0.0675 -0.9951 1788002 ChemDiv3_002961 Cc1cc(C(=O)OCC(=O)N2c3ccccc3Sc4ccccc24)c5ccccc5n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G14 compound treatment 1.01 -0.0175 -0.51 1.014 -0.00877 -0.26 -0.5415 -0.9517 1462003 ChemDiv3_002962 Cc1cccc(NC(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccco4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G15 compound treatment 1.033 0.00552 0.16 1.033 0.0102 0.3 0.3267 0.9555 3022825 ChemDiv3_002963 COC(=O)C1=C(C)N(/C(=C/c2ccco2)/C1=O)c3ccc(F)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G16 compound treatment 1.003 -0.0245 -0.71 1.01 -0.0128 -0.38 -0.7685 -0.9565 1443214 ChemDiv3_002964 COc1ccc(cc1)c2cc(C(=O)N)c3ccccc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G17 compound treatment 1.042 0.0145 0.42 1.036 0.0132 0.39 0.5738 0.9993 3118930 ChemDiv3_002965 COc1ccc(cc1)C2=Nc3ccccc3N=C(C2)c4ccc5ccccc5c4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G18 compound treatment 1.021 -0.00648 -0.19 1.022 -7.74E-4 -0.02 -0.149 -0.7875 3022826 ChemDiv3_002966 COC(=O)C/1=C(C)N(Cc2cccnc2)C(=O)\C1=C/c3ccccc3C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G19 compound treatment 1.334 0.307 8.88 1.192 0.169 5.0 9.8149 0.9632 1271973 ChemDiv3_002967 CCc1ccc(CN2CCN(Cc3ccc(CC)cc3)CC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G20 compound treatment 1.025 -0.00248 -0.07 1.025 0.00223 0.07 -0.0043 -0.0444 3118931 ChemDiv3_002968 COC(=O)C1=C(Nc2ccccc2)S/C(=C\c3ccc(O)cc3)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G21 compound treatment 1.138 0.111 3.2 1.117 0.0942 2.79 4.2331 0.9976 3022827 ChemDiv3_002969 CC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4c(C)cccc4C)c5ccccc35)/C2=N)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G22 compound treatment 1.035 0.00752 0.22 1.036 0.0132 0.39 0.4304 0.9618 1923007 ChemDiv3_002970 CCN1/C(=C/C(=S)CC)/Sc2ccc(OC)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G23 mock treatment 1.082 0.0545 1.58 1.084 0.0612 1.81 2.3964 0.9977 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 G24 mock treatment 1.024 -0.00348 -0.1 1.025 0.00223 0.07 -0.0248 -0.206 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H01 compound treatment 0.994 -0.0335 -0.97 0.99 -0.0328 -0.97 -1.3709 -1.0 3118932 ChemDiv3_002971 CCN1C(=O)/C(=C/C=C\2/Sc3cc(NC(=O)C)ccc3N2CC)/N(C1=S)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H02 compound treatment 1.024 -0.00348 -0.1 1.014 -0.00877 -0.26 -0.2548 -0.9153 3022829 ChemDiv3_002972 OC1(CC(=NO1)c2ccc(F)cc2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H03 compound treatment 1.211 0.184 5.31 1.224 0.201 5.95 7.965 0.9984 1421390 ChemDiv3_002973 CCOc1ccc(cc1)S(=O)(=O)n2cnc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H04 compound treatment 1.008 -0.0195 -0.56 1.011 -0.0118 -0.35 -0.6452 -0.9731 1922573 ChemDiv3_002974 CCc1cc2c(=O)c(c3nc4ccccc4s3)c(oc2cc1O)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H05 compound treatment 1.026 -0.00148 -0.04 1.033 0.0102 0.3 0.1834 0.6006 1453753 ChemDiv3_002975 Clc1ccc(cc1)C2CC(=O)Nc3ncnn23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H06 compound treatment 1.085 0.0575 1.67 1.096 0.0732 2.17 2.7087 0.9916 3118933 ChemDiv3_002976 Nc1nnnn1/N=C\C=C\c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H07 compound treatment 1.066 0.0385 1.12 1.092 0.0692 2.05 2.236 0.9593 1013278 ChemDiv3_002977 OC(=O)CSc1nc2ccc(Br)cc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H08 compound treatment 1.019 -0.00848 -0.25 1.011 -0.0118 -0.35 -0.4199 -0.9854 1282681 ChemDiv3_002978 COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H09 compound treatment 1.008 -0.0195 -0.56 1.005 -0.0178 -0.53 -0.7706 -0.9994 1608087 ChemDiv3_002979 COc1ccc(cc1)N2C(=O)CC(Cc3ccccc3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H10 compound treatment 1.029 0.00152 0.04 1.022 -7.74E-4 -0.02 0.0149 0.3001 3118934 ChemDiv3_002980 Cc1ccc(NC(=O)Cn2cc(/C=C\3/NC(=O)NC3=O)c4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H11 compound treatment 1.108 0.0805 2.33 1.077 0.0542 1.6 2.7825 0.9833 1375560 ChemDiv3_002981 Fc1cccc(c1)C2Nc3ccccc3C(=O)N2Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H12 compound treatment 1.025 -0.00248 -0.07 1.028 0.00523 0.15 0.0584 0.3426 3118935 ChemDiv3_002982 OCC1(CO)SC(=NC1=O)Nc2ccc(cc2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H13 compound treatment 1.152 0.125 3.61 1.107 0.0842 2.49 4.3107 0.9837 3022830 ChemDiv3_002983 CCOc1cc(/C=C/2\C(=NOC2=O)C)ccc1OC(=O)c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H14 compound treatment 1.029 0.00152 0.04 1.026 0.00323 0.1 0.0985 0.938 3118936 ChemDiv3_002984 Cc1cc(C)c(C#N)c(SCCS(=O)(=O)Cc2ccc(Cl)cc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H15 compound treatment 1.064 0.0365 1.06 1.06 0.0372 1.1 1.5261 0.9998 3022831 ChemDiv3_002985 CCCn/1c(cs\c1=N/c2ccccc2)c3ccc(cc3)S(=O)(=O)N4CCOCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H16 compound treatment 1.013 -0.0145 -0.42 1.009 -0.0138 -0.41 -0.5846 -0.9999 1522547 ChemDiv3_002986 CC(C)(C)c1ccc(cc1)S(=O)c2sc3nc4CCCCc4cc3c2N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H17 compound treatment 1.003 -0.0245 -0.71 1.012 -0.0108 -0.32 -0.7266 -0.9348 3118937 ChemDiv3_002987 Brc1ccc(/C=C(\C(=O)NCc2cccnc2)/S(=O)(=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H18 compound treatment 1.029 0.00152 0.04 1.032 0.00923 0.27 0.2239 0.8105 3022832 ChemDiv3_002988 COc1ccc(cc1)c2cc(c(C#N)c(SCS(=O)Cc3ccccc3)n2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H19 compound treatment 1.188 0.161 4.65 1.25 0.227 6.72 8.0376 0.9838 1156911 ChemDiv3_002989 Cc1ccc(cc1)c2cn3ccccc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H20 compound treatment 1.015 -0.0125 -0.36 1.024 0.00123 0.04 -0.23 -0.6331 1343150 ChemDiv3_002990 COc1ccc(cc1)c2cc(c(C#N)c(SC3CCCCC3O)n2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H21 compound treatment 1.014 -0.0135 -0.39 1.017 -0.00577 -0.17 -0.3968 -0.9311 3022833 ChemDiv3_002991 CC1(CC2(C)CC3(C)C1)CC(C2)(C3)C(=O)NC4=NCCS4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H22 compound treatment 1.032 0.00452 0.13 1.037 0.0142 0.42 0.3899 0.8852 3118938 ChemDiv3_002992 O=S(=O)(CCSc1nc2ccccc2s1)c3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H23 mock treatment 1.02 -0.00748 -0.22 1.019 -0.00377 -0.11 -0.2322 -0.9524 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 H24 mock treatment 1.022 -0.00548 -0.16 1.019 -0.00377 -0.11 -0.1912 -0.9851 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I01 compound treatment 1.006 -0.0215 -0.62 0.999 -0.0238 -0.7 -0.937 -0.9981 3022834 ChemDiv3_002993 OC(=O)Cn1cc(Br)c(=O)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I02 compound treatment 1.023 -0.00448 -0.13 1.018 -0.00477 -0.14 -0.1916 -0.9991 3118939 ChemDiv3_002994 CCN(CC)c1ccc(C=C2C(=O)c3ccccc3C2=O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I03 compound treatment 0.969 -0.0585 -1.69 0.964 -0.0588 -1.74 -2.4264 -0.9999 1923199 ChemDiv3_002995 CC1(C)CC(=O)C(=C(N)NC(=O)c2ccccc2)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I04 compound treatment 0.982 -0.0455 -1.32 0.986 -0.0368 -1.09 -1.7003 -0.9955 3022835 ChemDiv3_002996 COc1ccc(cc1)n2cnc3nc(C)c(C(=O)/C=C/N(C)C)c(c4ccccc4)c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I05 compound treatment 1.054 0.0265 0.77 1.069 0.0462 1.37 1.5094 0.9628 3118940 ChemDiv3_002997 Cc1nnc(SCC(=O)c2c[nH]c3ccccc23)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I06 compound treatment 1.012 -0.0155 -0.45 1.016 -0.00677 -0.2 -0.4587 -0.934 1921203 ChemDiv3_002998 CCOc1ccc(N/C=C\2/C(=O)CNC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I07 compound treatment 1.095 0.0675 1.96 1.065 0.0422 1.25 2.2654 0.9765 1430050 ChemDiv3_002999 NNc1ncnc2c3ccccc3oc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I08 compound treatment 1.015 -0.0125 -0.36 1.017 -0.00577 -0.17 -0.3764 -0.9413 3118941 ChemDiv3_003000 COc1ccc(/N=C/2\CCCN2CC(=O)N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I09 compound treatment 1.011 -0.0165 -0.48 1.008 -0.0148 -0.44 -0.6464 -0.999 1183787 ChemDiv3_003001 CCSc1nc2ccccc2n1CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I10 compound treatment 1.002 -0.0255 -0.74 1.005 -0.0178 -0.53 -0.8935 -0.9861 3022885 ChemDiv3_003002 CC(=O)N1/C(=C\Nc2ccccc2)/C(=O)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I11 compound treatment 1.011 -0.0165 -0.48 1.003 -0.0198 -0.58 -0.751 -0.9949 1236436 ChemDiv3_003003 OC1(CC(=O)c2ccc3ccccc3c2)C(=O)Nc4ccccc41 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I12 compound treatment 1.004 -0.0235 -0.68 1.005 -0.0178 -0.53 -0.8525 -0.9919 1699598 ChemDiv3_003004 CCOC(=O)N1CCN(CC1)C(=O)c2cc3c(ccc4ccccc43)oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I13 compound treatment 1.006 -0.0215 -0.62 1.003 -0.0198 -0.58 -0.8534 -0.9995 3022886 ChemDiv3_003005 Cn1c(n[nH]c1=S)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I14 compound treatment 0.996 -0.0315 -0.91 0.998 -0.0248 -0.73 -1.1627 -0.9941 3022887 ChemDiv3_003006 NC(=O)c1ccc(N/C=C(\C#N)/c2nc(cs2)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I15 compound treatment 1.089 0.0615 1.78 1.081 0.0582 1.72 2.477 0.9999 3022888 ChemDiv3_003007 COC(=O)C/1=C(C)N(Cc2ccc(C)cc2)C(=O)\C1=C/c3ccccc3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I16 compound treatment 1.002 -0.0255 -0.74 1.002 -0.0208 -0.61 -0.9562 -0.9958 1457003 ChemDiv3_003008 COc1ccc(cc1)S(=O)(=O)NCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I17 compound treatment 1.017 -0.0105 -0.3 1.015 -0.00777 -0.23 -0.3772 -0.9906 1093189 ChemDiv3_003009 CC(=O)NC1CC(C)(C)NC(C)(C)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I18 compound treatment 1.027 -4.84E-4 -0.01 1.022 -7.74E-4 -0.02 -0.0261 -0.9723 3022889 ChemDiv3_003010 COC(=O)C1=C(C)N/C(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I19 compound treatment 1.046 0.0185 0.54 1.039 0.0162 0.48 0.7184 0.9985 3118942 ChemDiv3_003011 O=c/1n2CN(CN=c2s\c1=C/c3ccccn3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I20 compound treatment 1.01 -0.0175 -0.51 1.02 -0.00277 -0.08 -0.416 -0.8111 3118943 ChemDiv3_003012 CN(C)c1ccc2C(=O)N(NC(=O)C)C(=O)c3cccc1c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I21 compound treatment 1.033 0.00552 0.16 1.027 0.00423 0.12 0.2013 0.9926 1912727 ChemDiv3_003013 COCc1cc(C)nc(Cl)c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I22 compound treatment 0.996 -0.0315 -0.91 1.003 -0.0198 -0.58 -1.0581 -0.9769 3022890 ChemDiv3_003014 COc1ccc(/C=C/2\OC(=S)N(C)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I23 mock treatment 1.03 0.00252 0.07 1.021 -0.00177 -0.05 0.0144 0.1608 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 I24 mock treatment 1.01 -0.0175 -0.51 1.016 -0.00677 -0.2 -0.4997 -0.9176 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J01 compound treatment 0.998 -0.0295 -0.85 1.01 -0.0128 -0.38 -0.8708 -0.9327 3118944 ChemDiv3_003015 CCN1C(=O)/C(=C/C=C/2\N(C)c3c(ccc4cccnc34)C2(C)C)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J02 compound treatment 1.016 -0.0115 -0.33 1.009 -0.0138 -0.41 -0.5231 -0.9949 3022891 ChemDiv3_003016 COc1ccc2oc(=O)c3SC(Cc3c2c1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J03 compound treatment 1.021 -0.00648 -0.19 1.024 0.00123 0.04 -0.1072 -0.5603 1614526 ChemDiv3_003017 CC(C)OC(=O)c1cc2cc(Br)ccc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J04 compound treatment 1.023 -0.00448 -0.13 1.018 -0.00477 -0.14 -0.1916 -0.9991 1247339 ChemDiv3_003018 CCN(CC)Cc1c(O)ccc2cc(c3nc4ccccc4s3)c(=O)oc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J05 compound treatment 1.166 0.139 4.01 1.18 0.157 4.65 6.1236 0.9973 1534522 ChemDiv3_003019 OCCn1c(SC2CCCCC2)nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J06 compound treatment 1.002 -0.0255 -0.74 1.001 -0.0218 -0.64 -0.9771 -0.9977 3119080 ChemDiv3_003020 Cc1c(/C=N/n2cnnc2)c(O)n3c4ccccc4nc3c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J07 compound treatment 1.045 0.0175 0.51 1.056 0.0332 0.98 1.0533 0.9527 3119081 ChemDiv3_003021 Cc1c(/C=N/c2ccc(N3CCOCC3)c(Cl)c2)c(O)n4c5ccccc5nc4c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J08 compound treatment 1.039 0.0115 0.33 1.06 0.0372 1.1 1.0141 0.8818 1151347 ChemDiv3_003022 CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N(C)Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J09 compound treatment 1.109 0.0815 2.36 1.082 0.0592 1.75 2.9075 0.9892 1313461 ChemDiv3_003023 COc1ccc(cc1OC)C2(CCCC2)C(=O)Nc3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J10 compound treatment 1.113 0.0855 2.48 1.086 0.0632 1.87 3.0731 0.9904 3022892 ChemDiv3_003024 COc1cc2CC(C)(C)N/C(=N\c3ccc(Br)cc3)/c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J11 compound treatment 1.049 0.0215 0.62 1.035 0.0122 0.36 0.6962 0.9665 3119082 ChemDiv3_003025 O=c1n(Cc2ccccn2)c(=O)c3ccccc3c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J12 compound treatment 1.003 -0.0245 -0.71 1.009 -0.0138 -0.41 -0.7894 -0.9653 3022893 ChemDiv3_003026 OCC1(CO)SC(=NC1=O)Nc2cccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J13 compound treatment 1.091 0.0635 1.84 1.096 0.0732 2.17 2.8316 0.9967 3119083 ChemDiv3_003027 CC/1=C(C#N)C(=NC(=O)\C1=C/c2ccc(o2)c3ccccc3)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J14 compound treatment 1.002 -0.0255 -0.74 0.996 -0.0268 -0.79 -1.0816 -0.9994 1708679 ChemDiv3_003028 Cc1cc(C)c2c(N)c(sc2n1)S(=O)c3ccc(cc3)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J15 compound treatment 1.09 0.0625 1.81 1.087 0.0642 1.9 2.623 0.9997 1425945 ChemDiv3_003029 COc1ccc(cc1)C2N(CCN3CCOCC3)C(=O)C(=C2C(=O)c4ccccc4)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J16 compound treatment 1.026 -0.00148 -0.04 1.013 -0.00977 -0.29 -0.2347 -0.8034 3119084 ChemDiv3_003030 CCS(=O)(=O)CCSc1nc(cc(c1C#N)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J17 compound treatment 1.017 -0.0105 -0.3 1.025 0.00223 0.07 -0.1682 -0.5413 3119085 ChemDiv3_003031 O=C(NCc1cccnc1)/C(=C\c2cccc(Oc3ccccc3)c2)/S(=O)(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J18 compound treatment 1.024 -0.00348 -0.1 1.032 0.00923 0.27 0.1215 0.4179 3022894 ChemDiv3_003032 COc1ccc(cc1)c2cc(c(C#N)c(SCCS(=O)Cc3ccccc3)n2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J19 compound treatment 1.135 0.108 3.11 1.118 0.0952 2.82 4.1926 0.9987 3119086 ChemDiv3_003033 C(c1ccco1)n/2c(cs\c2=N/c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J20 compound treatment 1.033 0.00552 0.16 1.016 -0.00677 -0.2 -0.0287 -0.1119 1409898 ChemDiv3_003034 COc1ccc(cc1)c2cc(c(C#N)c(SC3CCCCC3=O)n2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J21 compound treatment 1.015 -0.0125 -0.36 1.019 -0.00377 -0.11 -0.3346 -0.8842 3022895 ChemDiv3_003035 O=C1CCCN1CC(CN2CCOCC2)Sc3nnnn3c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J22 compound treatment 1.023 -0.00448 -0.13 1.022 -7.74E-4 -0.02 -0.108 -0.8191 1275651 ChemDiv3_003036 COc1cc(cc(OC)c1OC)C(=O)n2nc(c3cccnc3)n(CC=C)c2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J23 mock treatment 1.021 -0.00648 -0.19 1.019 -0.00377 -0.11 -0.2117 -0.9691 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 J24 mock treatment 1.005 -0.0225 -0.65 0.999 -0.0238 -0.7 -0.9575 -0.9993 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K01 compound treatment 1.03 0.00252 0.07 1.025 0.00223 0.07 0.0981 0.9987 3022896 ChemDiv3_003037 O=c1[nH]cc(/N=C/c2ccncc2)c(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K02 compound treatment 1.009 -0.0185 -0.54 0.999 -0.0238 -0.7 -0.8756 -0.991 3119087 ChemDiv3_003038 CCN1C(=O)/C(=C/c2ccc(o2)c3ccc(Br)cc3)/N(CC)C1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K03 compound treatment 1.013 -0.0145 -0.42 1.001 -0.0218 -0.64 -0.7518 -0.9785 1358081 ChemDiv3_003039 CCSc1nc2ccccc2c(=O)n1C3CCOC(C)(C)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K04 compound treatment 1.009 -0.0185 -0.54 1.01 -0.0128 -0.38 -0.6456 -0.9854 1594272 ChemDiv3_003040 Cc1c(C#N)c2nc3CCCCc3c(c4ccccc4)c2n1c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K05 compound treatment 1.067 0.0395 1.14 1.052 0.0292 0.86 1.4202 0.9904 3022897 ChemDiv3_003041 CC(Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K06 compound treatment 1.016 -0.0115 -0.33 1.013 -0.00977 -0.29 -0.4395 -0.9975 3119088 ChemDiv3_003042 CC(Cc1ccccc1)N/C=C\2/CC(=O)NC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K07 compound treatment 1.092 0.0645 1.87 1.091 0.0682 2.02 2.7475 0.9993 1628644 ChemDiv3_003043 CCOC(=O)C1(CCN(CC1)C(=O)c2c(C)oc3ccc(OC)cc23)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K08 compound treatment 1.051 0.0235 0.68 1.065 0.0422 1.25 1.3644 0.9594 1662593 ChemDiv3_003044 NC(=O)CN1CCCCCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K09 compound treatment 0.996 -0.0315 -0.91 0.993 -0.0298 -0.88 -1.2672 -0.9998 3119089 ChemDiv3_003045 CCN1C(=O)NC(=O)/C(=C\c2cn(CC(=O)N3CCCC3)c4ccccc24)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K10 compound treatment 1.01 -0.0175 -0.51 1.021 -0.00177 -0.05 -0.3951 -0.7762 1363537 ChemDiv3_003046 Cc1ccc2nc(C)n3c4ccccc4c(NC=O)c3c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K11 compound treatment 1.008 -0.0195 -0.56 1.005 -0.0178 -0.53 -0.7706 -0.9994 3022898 ChemDiv3_003047 COC(=O)c1ccc(cc1)C(=O)Nc2ccc3[nH]c(nc3c2)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K12 compound treatment 1.013 -0.0145 -0.42 1.011 -0.0118 -0.35 -0.5428 -0.9957 3119090 ChemDiv3_003048 NC(=S)C(=C1CCCC1)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K13 compound treatment 1.013 -0.0145 -0.42 1.004 -0.0188 -0.56 -0.6891 -0.9905 1509060 ChemDiv3_003049 O=c1[nH]cnc2n(ncc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K14 compound treatment 1.033 0.00552 0.16 1.027 0.00423 0.12 0.2013 0.9926 1733288 ChemDiv3_003050 CC1(CN2CC3(C)CN(C1)C2c4ccc(O)cc4O)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K15 compound treatment 1.278 0.251 7.26 1.257 0.234 6.93 10.027 0.9997 3119091 ChemDiv3_003051 COC(=O)C/1=C(C)N(C)C(=O)\C1=C/c2cc(C)n(c2C)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K16 compound treatment 1.017 -0.0105 -0.3 1.023 2.26E-4 0.01 -0.21 -0.6914 3022899 ChemDiv3_003052 Cc1ccc(cc1)C2=C/C(=C\c3ccccc3C)/C(=O)O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K17 compound treatment 1.018 -0.00948 -0.27 1.016 -0.00677 -0.2 -0.3358 -0.988 1528158 ChemDiv3_003053 COc1ccc(cc1)n2c(C)nc3ccccc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K18 compound treatment 1.0 -0.0275 -0.8 1.005 -0.0178 -0.53 -0.9344 -0.9797 1492398 ChemDiv3_003054 O=c1oc2ccccc2cc1c3nc4ccccc4[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K19 compound treatment 1.028 5.16E-4 0.01 1.022 -7.74E-4 -0.02 -0.0056 -0.2054 3022900 ChemDiv3_003055 CC(C)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K20 compound treatment 0.999 -0.0285 -0.82 1.01 -0.0128 -0.38 -0.8504 -0.9373 3119092 ChemDiv3_003056 CCSc1ccsc1C2C(=C(N)N(C3=C2C(=O)CC(C)(C)C3)c4cccnc4)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K21 compound treatment 1.033 0.00552 0.16 1.025 0.00223 0.07 0.1595 0.9231 1582251 ChemDiv3_003057 O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K22 compound treatment 1.057 0.0295 0.85 1.068 0.0452 1.34 1.55 0.9766 3022901 ChemDiv3_003058 CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)/OC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K23 mock treatment 1.0 -0.0275 -0.8 0.986 -0.0368 -1.09 -1.3316 -0.9882 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 K24 mock treatment 1.017 -0.0105 -0.3 1.019 -0.00377 -0.11 -0.2936 -0.9076 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L01 compound treatment 0.993 -0.0345 -1.0 1.003 -0.0198 -0.58 -1.1196 -0.9675 3022902 ChemDiv3_003059 CCN1C(=O)/C(=C/N(C)c2ccccc2)/OC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L02 compound treatment 1.027 -4.84E-4 -0.01 1.006 -0.0168 -0.5 -0.3606 -0.7268 3119093 ChemDiv3_003060 FC(F)(F)C1Cc2c(S1)c(=O)oc3ccc4ccccc4c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L03 compound treatment 1.016 -0.0115 -0.33 1.005 -0.0178 -0.53 -0.6068 -0.9756 1682835 ChemDiv3_003061 Cc1ccccc1CN2C(=O)C(O)(CC(=O)c3ccc4CCCCc4c3)c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L04 compound treatment 1.262 0.235 6.79 1.311 0.288 8.52 10.8283 0.9937 1213120 ChemDiv3_003062 OC(=O)CCc1oc2cc(O)ccc2c(=O)c1c3nc4ccccc4[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L05 compound treatment 1.012 -0.0155 -0.45 1.019 -0.00377 -0.11 -0.396 -0.8569 3022903 ChemDiv3_003063 CSc1nc2ccccc2n1CCO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L06 compound treatment 1.021 -0.00648 -0.19 1.014 -0.00877 -0.26 -0.3162 -0.9874 3119094 ChemDiv3_003064 CCc1c(C)nc2ncnn2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L07 compound treatment 1.054 0.0265 0.77 1.061 0.0382 1.13 1.3422 0.9823 3119095 ChemDiv3_003065 CCCCc1ccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L08 compound treatment 1.03 0.00252 0.07 1.02 -0.00277 -0.08 -0.0065 -0.059 1574439 ChemDiv3_003066 CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc3ccc4OCCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L09 compound treatment 1.004 -0.0235 -0.68 1.009 -0.0138 -0.41 -0.7689 -0.9699 1292966 ChemDiv3_003067 CC1(C)CC(=O)C(=C(C1)NCc2ccccc2)C(=S)Nc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L10 compound treatment 1.001 -0.0265 -0.77 0.993 -0.0298 -0.88 -1.1648 -0.9976 1711945 ChemDiv3_003068 COc1cc(CN(C)C)c(O)c(CN(C)C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L11 compound treatment 1.005 -0.0225 -0.65 1.006 -0.0168 -0.5 -0.8111 -0.991 1592604 ChemDiv3_003069 Clc1ccc(CN2C(=O)c3ccc(cc3C2=O)c4nc5ccccc5c(=O)o4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L12 compound treatment 1.085 0.0575 1.67 1.07 0.0472 1.4 2.1652 0.9962 1628631 ChemDiv3_003070 Nc1c(sc2nc3CCCc3cc12)C(=O)N4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L13 compound treatment 0.982 -0.0455 -1.32 0.988 -0.0348 -1.03 -1.6584 -0.9925 3119096 ChemDiv3_003071 CN(C)c1ccc(/N=C\2/C(=C(C#N)C(=O)N(C)C2=O)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L14 compound treatment 1.011 -0.0165 -0.48 0.996 -0.0268 -0.79 -0.8973 -0.9707 3119225 ChemDiv3_003072 Cc1cc(C)c2c(N)c(sc2n1)S(=O)Cc3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L15 compound treatment 1.044 0.0165 0.48 1.049 0.0262 0.78 0.8865 0.9731 1171680 ChemDiv3_003073 OC1=C(C(N(CCCn2ccnc2)C1=O)c3cccc(Br)c3)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L16 compound treatment 1.015 -0.0125 -0.36 1.0 -0.0228 -0.67 -0.7318 -0.9575 1601690 ChemDiv3_003074 CCCCS(=O)c1nc(cc(c1C#N)c2ccccc2)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L17 compound treatment 1.011 -0.0165 -0.48 1.025 0.00223 0.07 -0.291 -0.6039 3119226 ChemDiv3_003075 OC(=O)CN1C(=O)/C(=c\2/sc3nc4ccccc4n3c2=O)/c5cc(Br)ccc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L18 compound treatment 1.013 -0.0145 -0.42 1.008 -0.0148 -0.44 -0.6055 -0.9998 3022904 ChemDiv3_003076 CCCCS(=O)CSc1nc(cc(c1C#N)c2ccccc2)c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L19 compound treatment 1.243 0.216 6.24 1.228 0.205 6.07 8.704 0.9999 1492207 ChemDiv3_003077 CN(CCO)S(=O)(=O)c1ccc-2c(c1)C(=NO)c3cc(ccc32)S(=O)(=O)N(C)CCO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L20 compound treatment 1.048 0.0205 0.59 1.043 0.0202 0.6 0.843 1.0 3022905 ChemDiv3_003078 CS(=O)C1CCCCC1(O)CSc2nc(cc(c2C#N)c3ccccc3)c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L21 compound treatment 1.004 -0.0235 -0.68 1.003 -0.0198 -0.58 -0.8943 -0.9972 3119227 ChemDiv3_003079 COC(=O)/C=c/1\sc2=NCCn2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L22 compound treatment 1.227 0.2 5.78 1.224 0.201 5.95 8.2927 0.9999 1138814 ChemDiv3_003080 CC(=O)Nc1nc(NC(=O)C)nc(n1)c2ccccn2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L23 mock treatment 1.015 -0.0125 -0.36 1.021 -0.00177 -0.05 -0.2927 -0.8013 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 L24 mock treatment 1.027 -4.84E-4 -0.01 1.024 0.00123 0.04 0.0157 0.4045 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M01 compound treatment 1.03 0.00252 0.07 1.008 -0.0148 -0.44 -0.2574 -0.5811 1484138 ChemDiv3_003081 CC[N+]1(CC)Cc2c(C1)c(C(=C)C)c3ccccc3c2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M02 compound treatment 1.0 -0.0275 -0.8 1.001 -0.0218 -0.64 -1.018 -0.9945 3119228 ChemDiv3_003082 CC/1=NOC(=O)\C1=C\c2ccc(cc2)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M03 compound treatment 0.991 -0.0365 -1.06 0.991 -0.0318 -0.94 -1.4114 -0.9983 1526199 ChemDiv3_003083 CCSc1nc2-c3ccccc3CC4(CCCC4)c2c(=O)n1CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M04 compound treatment 0.997 -0.0305 -0.88 1.003 -0.0198 -0.58 -1.0377 -0.98 1671329 ChemDiv3_003084 CC[N+]1(Cc2ccccc2)C3=C(CN(C)CC3)c4ccccc41 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M05 compound treatment 0.991 -0.0365 -1.06 0.987 -0.0358 -1.06 -1.495 -1.0 1542244 ChemDiv3_003085 CCCOc1ccc(cc1)c2nc(N(CC)CC)c3ccccc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M06 compound treatment 1.016 -0.0115 -0.33 1.023 2.26E-4 0.01 -0.2304 -0.6928 3022952 ChemDiv3_003086 Oc1ccc(/C=C\2/C(=O)CNC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M07 compound treatment 1.073 0.0455 1.32 1.052 0.0292 0.86 1.5431 0.979 1350361 ChemDiv3_003087 Fc1ccc(Nc2ncnc3c4ccccc4oc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M08 compound treatment 1.072 0.0445 1.29 1.068 0.0452 1.34 1.8571 0.9998 1709021 ChemDiv3_003088 COc1cccc2oc(c(Br)c12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M09 compound treatment 1.0 -0.0275 -0.8 0.996 -0.0268 -0.79 -1.1226 -1.0 3022953 ChemDiv3_003089 Fc1ccccc1N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)N4CCCC4)c5ccccc35)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M10 compound treatment 0.984 -0.0435 -1.26 0.991 -0.0318 -0.94 -1.5548 -0.9896 3022954 ChemDiv3_003090 CCOC(=O)/C(=C\1/CCCN1)/C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M11 compound treatment 1.013 -0.0145 -0.42 1.007 -0.0158 -0.47 -0.6264 -0.9986 1509599 ChemDiv3_003091 CCc1nnc(NC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M12 compound treatment 0.983 -0.0445 -1.29 0.986 -0.0368 -1.09 -1.6798 -0.9964 1712524 ChemDiv3_003092 CC1=C(C(C(=C(N1)SCC(=O)N)C#N)c2ccco2)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M13 compound treatment 1.005 -0.0225 -0.65 0.998 -0.0248 -0.73 -0.9784 -0.9983 3119229 ChemDiv3_003093 CCN(CC)CC#Cc1cccc(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M14 compound treatment 0.996 -0.0315 -0.91 0.994 -0.0288 -0.85 -1.2463 -0.9994 1297646 ChemDiv3_003094 CC1(CN2CC3(C)CN(C1)C2C4CCCCC4)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M15 compound treatment 1.079 0.0515 1.49 1.07 0.0472 1.4 2.0423 0.9995 3119230 ChemDiv3_003095 CCC1(CC)Cc2ccccc2-c3nc(oc(=O)c31)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M16 compound treatment 0.986 -0.0415 -1.2 0.983 -0.0398 -1.18 -1.6811 -0.9999 3119231 ChemDiv3_003096 CCc1ccc(cc1)n2c(C)cc(/C=C/3\SC(=S)N(CC=C)C3=O)c2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M17 compound treatment 1.004 -0.0235 -0.68 1.003 -0.0198 -0.58 -0.8943 -0.9972 1403000 ChemDiv3_003097 O=c1n(c(CNc2ccccc2)nc3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M18 compound treatment 0.999 -0.0285 -0.82 1.002 -0.0208 -0.61 -1.0176 -0.9895 1363942 ChemDiv3_003098 Nc1cccc(Nc2ncnc3ccccc23)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M19 compound treatment 1.071 0.0435 1.26 1.057 0.0342 1.01 1.6067 0.9941 3022955 ChemDiv3_003099 CN(C)c1ccc(cc1)c2nc(cc(=O)o2)c3cccc(I)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M20 compound treatment 1.01 -0.0175 -0.51 1.011 -0.0118 -0.35 -0.6042 -0.9833 3119232 ChemDiv3_003100 Cc1cc(C2C(=C(N)N(C3=C2C(=O)CC(C3)c4ccccc4)c5ccccc5Cl)C#N)c(C)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M21 compound treatment 1.02 -0.00748 -0.22 1.014 -0.00877 -0.26 -0.3367 -0.996 1607622 ChemDiv3_003101 CC(C)OC(=O)c1ccc(NC(=O)CSc2nc3cccnc3[nH]2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M22 compound treatment 1.041 0.0135 0.39 1.049 0.0262 0.78 0.8251 0.9499 1914743 ChemDiv3_003102 CCCN1C(=O)/C(=C/C=C\2/Oc3ccccc3N2CCC(=O)O)/N(CCO)C1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M23 mock treatment 1.0 -0.0275 -0.8 0.998 -0.0248 -0.73 -1.0808 -0.9991 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 M24 mock treatment 1.016 -0.0115 -0.33 1.015 -0.00777 -0.23 -0.3977 -0.9837 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N01 compound treatment 0.997 -0.0305 -0.88 1.001 -0.0218 -0.64 -1.0795 -0.988 3022956 ChemDiv3_003103 OCC[n+]1ccc(/C=C/c2c[nH]c3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N02 compound treatment 0.984 -0.0435 -1.26 0.985 -0.0378 -1.12 -1.6802 -0.9982 3119233 ChemDiv3_003104 COC(=O)C1SC2(CC1(O)c3c(OC)c4ccoc4c(OC)c3O2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N03 compound treatment 0.991 -0.0365 -1.06 0.992 -0.0308 -0.91 -1.3905 -0.9972 3022957 ChemDiv3_003105 Cc1ccccc1CN2C(=O)C(O)(CC(=O)/C=C\c3ccccc3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N04 compound treatment 1.007 -0.0205 -0.59 0.998 -0.0248 -0.73 -0.9374 -0.9945 1613163 ChemDiv3_003106 COC(=O)c1c(C)oc2ccc(OCc3ccc(Br)cc3)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N05 compound treatment 0.987 -0.0405 -1.17 0.987 -0.0358 -1.06 -1.577 -0.9987 1321741 ChemDiv3_003107 CCCn1c(SCC(=O)N2c3ccccc3Sc4ccccc24)nc5ccccc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N06 compound treatment 1.009 -0.0185 -0.54 1.001 -0.0218 -0.64 -0.8337 -0.9958 1696278 ChemDiv3_003108 Cc1ccc2nc(c(CN3CCCC3)c(O)c2c1)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N07 compound treatment 1.022 -0.00548 -0.16 1.027 0.00423 0.12 -0.024 -0.1185 1343499 ChemDiv3_003109 CCCN1C(Nc2ccccc2C1=O)c3ccc(OC)c(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N08 compound treatment 0.981 -0.0465 -1.35 0.989 -0.0338 -1.0 -1.658 -0.9892 1737251 ChemDiv3_003110 CCOC(=O)C1=C(Nc2ncnn2C1c3ccc(OCc4ccccc4)cc3)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N09 compound treatment 0.996 -0.0315 -0.91 1.003 -0.0198 -0.58 -1.0581 -0.9769 1201402 ChemDiv3_003111 CN(C)CCc1cc2OCOc2c3c1ccc4ccccc43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N10 compound treatment 0.985 -0.0425 -1.23 0.98 -0.0428 -1.26 -1.7643 -0.9999 1739556 ChemDiv3_003112 Oc1ccccc1CN2CCCN(Cc3ccccc3O)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N11 compound treatment 1.027 -4.84E-4 -0.01 1.026 0.00323 0.1 0.0575 0.5968 1119081 ChemDiv3_003113 Clc1ccc(CC(=O)Nc2cccc(c2)c3nc4cc5ccccc5cc4[nH]3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N12 compound treatment 0.997 -0.0305 -0.88 0.986 -0.0368 -1.09 -1.3931 -0.9947 1853335 ChemDiv3_003114 CCN(CC)C(=O)c1sc2nc3CCCCCc3cc2c1N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N13 compound treatment 0.996 -0.0315 -0.91 1.002 -0.0208 -0.61 -1.0791 -0.9815 3119234 ChemDiv3_003115 CC/1=NOC(=O)\C1=C/c2ccc(O)c(O)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N14 compound treatment 1.003 -0.0245 -0.71 0.994 -0.0288 -0.85 -1.103 -0.9959 3022958 ChemDiv3_003116 Cc1cc(C)c(C#N)c(SCSCc2ccccc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N15 compound treatment 1.132 0.105 3.03 1.112 0.0892 2.64 4.0057 0.9977 1503378 ChemDiv3_003117 OC1=C(C(N(CCCN2CCOCC2)C1=O)c3cccs3)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N16 compound treatment 1.117 0.0895 2.59 1.092 0.0692 2.05 3.2804 0.9932 3119235 ChemDiv3_003118 Cc1ccc(cc1)c2cc(c(C#N)c(SCS(=O)Cc3ccccc3)n2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N17 compound treatment 1.009 -0.0185 -0.54 1.017 -0.00577 -0.17 -0.4992 -0.8885 1283724 ChemDiv3_003119 Cc1ccc(OCC(=O)n2c(SCc3ccc(F)cc3)nc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N18 compound treatment 1.01 -0.0175 -0.51 0.999 -0.0238 -0.7 -0.8551 -0.987 3119236 ChemDiv3_003120 O=S(CSc1nc(cc(c1C#N)c2ccccc2)c3cccs3)Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N19 compound treatment 1.002 -0.0255 -0.74 1.007 -0.0158 -0.47 -0.8516 -0.9755 1526293 ChemDiv3_003121 O=C(Nc1nccs1)C2(CC3CC4C2)CC(C3)(C4)C(=O)Nc5nccs5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N20 compound treatment 0.992 -0.0355 -1.03 0.986 -0.0368 -1.09 -1.4955 -0.9996 1056485 ChemDiv3_003122 O=C1CCCCC1Sc2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N21 compound treatment 1.043 0.0155 0.45 1.052 0.0292 0.86 0.9288 0.9536 3022959 ChemDiv3_003123 FC(F)(F)c1cc(nn1C(=S)N2CCOCC2)c3ccc4ccccc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N22 compound treatment 1.132 0.105 3.03 1.118 0.0952 2.82 4.1312 0.9993 1160068 ChemDiv3_003124 CCN(CC)C(=O)Sc1cccc2cccnc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N23 mock treatment 0.997 -0.0305 -0.88 1.005 -0.0178 -0.53 -0.9959 -0.9693 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 N24 mock treatment 0.978 -0.0495 -1.43 0.977 -0.0458 -1.35 -1.9703 -0.9996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O01 compound treatment 1.017 -0.0105 -0.3 1.005 -0.0178 -0.53 -0.5863 -0.966 3022960 ChemDiv3_003125 CC1(C)OC(=O)C(=Cc2ccccc2F)C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O02 compound treatment 1.012 -0.0155 -0.45 1.008 -0.0148 -0.44 -0.626 -0.9999 3119237 ChemDiv3_003126 Clc1cc(Cl)cc(c1)N2NC(=O)/C(=C\3/Nc4ccccc4C3=O)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O03 compound treatment 1.012 -0.0155 -0.45 1.008 -0.0148 -0.44 -0.626 -0.9999 3022961 ChemDiv3_003127 COC(=O)CN1C=C(C(C(=C1)C(=O)OC)c2ccc(Cl)cc2)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O04 compound treatment 1.027 -4.84E-4 -0.01 1.025 0.00223 0.07 0.0366 0.5443 1192351 ChemDiv3_003128 CC[N+]1(CCC2CC1)CC2C(O)(c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O05 compound treatment 1.063 0.0355 1.03 1.059 0.0362 1.07 1.4847 0.9998 3119238 ChemDiv3_003129 CCCOc1ccc(cc1)c2nc(OCC)c3ccccc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O06 compound treatment 1.021 -0.00648 -0.19 1.021 -0.00177 -0.05 -0.1699 -0.8713 3022962 ChemDiv3_003130 Cc1ccc(NC2=CC(=O)NC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O07 compound treatment 1.054 0.0265 0.77 1.049 0.0262 0.78 1.0913 1.0 1516607 ChemDiv3_003131 CCS(=O)(=O)N1CCN(CC2CCC=CC2)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O08 compound treatment 1.017 -0.0105 -0.3 1.019 -0.00377 -0.11 -0.2936 -0.9076 3022963 ChemDiv3_003132 COc1ccc(N/C(=C(/C=C/2\Nc3ccccc3C2=O)\C#N)/N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O09 compound treatment 1.002 -0.0255 -0.74 1.004 -0.0188 -0.56 -0.9144 -0.9901 3119370 ChemDiv3_003133 COc1ccc(OCCn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O10 compound treatment 1.222 0.195 5.63 1.197 0.174 5.15 7.6258 0.999 3022964 ChemDiv3_003134 CN(C)/C=N/c1c(C#N)c(C)n(c1C(=O)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O11 compound treatment 1.005 -0.0225 -0.65 1.004 -0.0188 -0.56 -0.8529 -0.9968 1338630 ChemDiv3_003135 CC(C)(c1ccccc1)c2ccc(OCC(=O)NC3CCCC3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O12 compound treatment 1.042 0.0145 0.42 1.05 0.0272 0.8 0.8665 0.9541 1623139 ChemDiv3_003136 O=C1N(CCSc2nc(cc(c3ccco3)c2C#N)c4ccccc4)C(=O)c5ccccc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O13 compound treatment 1.017 -0.0105 -0.3 1.008 -0.0148 -0.44 -0.5236 -0.9842 3022965 ChemDiv3_003137 Cc1cccc(C#CCN2CCCCC2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O14 compound treatment 0.983 -0.0445 -1.29 0.986 -0.0368 -1.09 -1.6798 -0.9964 1073936 ChemDiv3_003138 Nn1cnnc1SCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O15 compound treatment 1.019 -0.00848 -0.25 1.016 -0.00677 -0.2 -0.3154 -0.9949 1709316 ChemDiv3_003139 CC1(C)Cc2ccccc2-c3nc(c4ccccc4)n(CCO)c(=O)c31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O16 compound treatment 1.023 -0.00448 -0.13 1.018 -0.00477 -0.14 -0.1916 -0.9991 3022966 ChemDiv3_003140 CN1C(=O)C(=CC2CC(=NN(C2=O)c3ccccc3)C)C(=O)N(C)C1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O17 compound treatment 1.017 -0.0105 -0.3 1.016 -0.00677 -0.2 -0.3563 -0.9796 1457475 ChemDiv3_003141 CCOC(=S)SCc1nc2ccccc2c(=O)n1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O18 compound treatment 1.01 -0.0175 -0.51 1.012 -0.0108 -0.32 -0.5833 -0.9751 1557182 ChemDiv3_003142 C1CCCN(CC1)c2nc(nc3ccccc23)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O19 compound treatment 1.023 -0.00448 -0.13 1.022 -7.74E-4 -0.02 -0.108 -0.8191 3022967 ChemDiv3_003143 Ic1cccc(c1)c2nc(cc(=O)o2)c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O20 compound treatment 1.069 0.0415 1.2 1.053 0.0302 0.89 1.4821 0.9893 3119371 ChemDiv3_003144 CCSc1sc(CC)cc1C2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4cccnc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O21 compound treatment 1.012 -0.0155 -0.45 1.013 -0.00977 -0.29 -0.5214 -0.9774 3119372 ChemDiv3_003145 COc1cc(Br)cc(/C=N/N(CCO)C2=NS(=O)(=O)c3ccccc23)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O22 compound treatment 1.016 -0.0115 -0.33 1.011 -0.0118 -0.35 -0.4813 -0.9997 3022968 ChemDiv3_003146 CCn1c(=S)ccc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O23 mock treatment 1.024 -0.00348 -0.1 1.017 -0.00577 -0.17 -0.1921 -0.9685 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 O24 mock treatment 1.053 0.0255 0.74 1.025 0.00223 0.07 0.5691 0.767 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P01 compound treatment 0.997 -0.0305 -0.88 1.002 -0.0208 -0.61 -1.0586 -0.9843 1125247 ChemDiv3_003147 OC(=O)c1cc2cccc(CC=C)c2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P02 compound treatment 1.021 -0.00648 -0.19 1.021 -0.00177 -0.05 -0.1699 -0.8713 1617401 ChemDiv3_003148 COc1ccc2n(Cc3ccccc3)c(C)c(C(=O)N4CCCC4)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P03 compound treatment 0.961 -0.0665 -1.93 0.972 -0.0508 -1.5 -2.423 -0.9924 1563489 ChemDiv3_003149 Fc1cccc(c1)C(=O)Nc2ccc(cc2)c3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P04 compound treatment 1.11 0.0825 2.39 1.128 0.105 3.11 3.8897 0.9915 1184530 ChemDiv3_003150 Cc1ccccc1COc2ccc3oc(c(C(=O)O)c3c2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P05 compound treatment 1.012 -0.0155 -0.45 1.014 -0.00877 -0.26 -0.5005 -0.9662 3022969 ChemDiv3_003151 CCC(C)Sc1nc(=O)c2ccccc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P06 compound treatment 1.059 0.0315 0.91 1.053 0.0302 0.89 1.2773 0.9999 1012560 ChemDiv3_003152 OCCNc1ncnc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P07 compound treatment 1.026 -0.00148 -0.04 1.024 0.00123 0.04 -0.0048 -0.0847 1510943 ChemDiv3_003153 CCCCN1CNC(=S)NC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P08 compound treatment 1.006 -0.0215 -0.62 1.003 -0.0198 -0.58 -0.8534 -0.9995 1188027 ChemDiv3_003154 CCOc1ccc2c3CCCc3c(=O)oc2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P09 compound treatment 1.017 -0.0105 -0.3 1.02 -0.00277 -0.08 -0.2727 -0.867 3119373 ChemDiv3_003155 COc1cccc(NC2=Nc3cccc4cccc2c34)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P10 compound treatment 1.012 -0.0155 -0.45 1.004 -0.0188 -0.56 -0.7096 -0.9944 1058532 ChemDiv3_003156 OC1CCCN(Cc2ccccc2)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P11 compound treatment 1.005 -0.0225 -0.65 1.013 -0.00977 -0.29 -0.6648 -0.9332 1124382 ChemDiv3_003157 COc1cccc(c1)c2nc3cc(OC)c(OC)cc3c(=O)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P12 compound treatment 0.995 -0.0325 -0.94 1.0 -0.0228 -0.67 -1.1413 -0.9866 3022970 ChemDiv3_003158 Clc1ccc(CN2C(=O)N/C(=C\c3ccccc3Cl)/C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P13 compound treatment 1.113 0.0855 2.48 1.156 0.133 3.94 4.5365 0.975 3119374 ChemDiv3_003159 CC/1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)\C1=C/c3ccc(o3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P14 compound treatment 1.018 -0.00948 -0.27 1.02 -0.00277 -0.08 -0.2522 -0.8799 1353343 ChemDiv3_003160 Clc1ccc(CS(=O)c2nc3CCCCc3cc2C#N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P15 compound treatment 1.068 0.0405 1.17 1.074 0.0512 1.51 1.9007 0.992 3119375 ChemDiv3_003161 Cc1ccc(cc1)c2nc(C#N)c(NCCCn3ccnc3)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P16 compound treatment 1.031 0.00352 0.1 1.031 0.00823 0.24 0.244 0.9253 1505579 ChemDiv3_003162 CCS(=O)CCSc1nc(cc(c1C#N)c2ccccc2)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P17 compound treatment 1.224 0.197 5.69 1.216 0.193 5.71 8.064 1.0 1293590 ChemDiv3_003163 COc1ccc(cc1OC)C2N(C(=O)C(=C2C(=O)c3ccc(F)cc3)O)c4nnc(C)s4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P18 compound treatment 0.999 -0.0285 -0.82 1.004 -0.0188 -0.56 -0.9758 -0.9814 3119376 ChemDiv3_003164 CCCCS(=O)c1sc2nc(cc(c3ccccc3)c2c1N)c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P19 compound treatment 1.018 -0.00948 -0.27 1.02 -0.00277 -0.08 -0.2522 -0.8799 1334571 ChemDiv3_003165 COC(=O)C(NC(=O)c1ccc(cc1)S(=O)(=O)N2CCOCC2)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P20 compound treatment 1.029 0.00152 0.04 1.025 0.00223 0.07 0.0776 0.9807 3119377 ChemDiv3_003166 CCS(=O)(=O)CCSc1nc(C)cc(C)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P21 compound treatment 1.026 -0.00148 -0.04 1.037 0.0142 0.42 0.267 0.6316 3023071 ChemDiv3_003167 FC(F)(F)c1cc(nn1C(=S)N2CCCCCC2)c3ccc4ccccc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P22 compound treatment 1.031 0.00352 0.1 1.032 0.00923 0.27 0.2649 0.9098 3119378 ChemDiv3_003168 N=C/1N2C(=CSC2=NC(=O)\C1=C/c3cccs3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P23 mock treatment 1.033 0.00552 0.16 1.027 0.00423 0.12 0.2013 0.9926 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2009 P24 mock treatment 1.047 0.0195 0.57 1.028 0.00523 0.15 0.5089 0.8685 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A01 compound treatment 1.015 -0.0122 -0.35 1.022 -0.00622 -0.18 -0.3802 -0.9535 1286976 ChemDiv3_003169 COc1ccc(cc1)n2c(NN)nc3sc4CCCc4c3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A02 compound treatment 0.99 -0.0372 -1.08 0.993 -0.0352 -1.04 -1.4985 -0.9999 1560637 ChemDiv3_003170 COC(=O)c1c(C)oc2ccc(cc12)N(C(=O)C)S(=O)(=O)c3ccc4ccccc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A03 compound treatment 1.0 -0.0272 -0.79 0.998 -0.0302 -0.89 -1.1892 -0.998 3119379 ChemDiv3_003171 CCN(CC)S(=O)(=O)c1ccc(cc1)c2cs/c(=N\c3ccc(C)cc3)/n2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A04 compound treatment 0.935 -0.0922 -2.67 0.96 -0.0682 -2.02 -3.3147 -0.9904 1585858 ChemDiv3_003172 CC1(CC2(C)CC3(C)C1)CC(C2)(C3)C(=O)NC(=S)N4CCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A05 compound treatment 0.992 -0.0352 -1.02 0.99 -0.0382 -1.13 -1.5202 -0.9987 1866874 ChemDiv3_003173 CN(CC(O)Cn1c2ccccc2c3ccccc13)S(=O)(=O)c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A06 compound treatment 0.996 -0.0312 -0.9 0.992 -0.0362 -1.07 -1.3965 -0.9965 1618410 ChemDiv3_003174 CC1(C)Cc2c(CO1)sc3nc(NN)n(Cc4ccccc4)c(=O)c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A07 compound treatment 1.046 0.0188 0.54 1.033 0.00478 0.14 0.4846 0.8622 1669656 ChemDiv3_003175 C(NC1CCCc2c1[nH]c3ccc(cc23)c4ccccc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A08 compound treatment 1.003 -0.0242 -0.7 0.999 -0.0292 -0.86 -1.1068 -0.9947 3023072 ChemDiv3_003176 Cc1cc(NC2CCCCC2)nc(NCc3ccccc3)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A09 compound treatment 1.004 -0.0232 -0.67 1.006 -0.0222 -0.66 -0.94 -0.9999 1313123 ChemDiv3_003177 Clc1ccccc1C(=O)Nc2ccc(cc2)c3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A10 compound treatment 0.995 -0.0322 -0.93 0.993 -0.0352 -1.04 -1.3961 -0.9985 1391391 ChemDiv3_003178 O=C(CN1C(=O)c2ccccc2C1=O)N(c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A11 compound treatment 1.144 0.117 3.38 1.136 0.108 3.19 4.6448 0.9996 1356650 ChemDiv3_003179 Fc1ccccc1Nc2nc(NCc3ccccc3)c4ccccc4n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A12 compound treatment 0.996 -0.0312 -0.9 0.995 -0.0332 -0.98 -1.3338 -0.9991 3119380 ChemDiv3_003180 COc1ccc(/C=C/2\SC(=S)N(CC3CCCO3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A13 compound treatment 0.997 -0.0302 -0.88 0.992 -0.0362 -1.07 -1.376 -0.995 1433370 ChemDiv3_003181 Cc1ccc(cc1)C(=O)Nc2cccc(c2)c3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A14 compound treatment 0.987 -0.0402 -1.16 0.99 -0.0382 -1.13 -1.6226 -0.9999 1026172 ChemDiv3_003182 NC(=N)Nc1nc2ccccc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A15 compound treatment 1.022 -0.00522 -0.15 1.021 -0.00722 -0.21 -0.2578 -0.9857 3119381 ChemDiv3_003183 CC(=O)Nc1c(O)[nH]c2ccc(C)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A16 compound treatment 1.043 0.0158 0.46 1.04 0.0118 0.35 0.5695 0.991 1236383 ChemDiv3_003184 Fc1ccccc1C(=O)n2c3CCCCc3c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A17 compound treatment 1.096 0.0688 1.99 1.087 0.0588 1.74 2.6374 0.9977 3023073 ChemDiv3_003185 CCSc1nc2ccccc2n1C(=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A18 compound treatment 0.983 -0.0442 -1.28 0.987 -0.0412 -1.22 -1.7673 -0.9997 3119528 ChemDiv3_003186 CCC(N1C(=O)c2ccccc2C1=O)C(=O)N3c4ccccc4Sc5ccc(cc35)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A19 compound treatment 1.024 -0.00322 -0.09 1.021 -0.00722 -0.21 -0.2168 -0.931 1545724 ChemDiv3_003187 COc1ccc(cc1)C2N(CCN2C(=O)c3ccc(C)cc3)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A20 compound treatment 1.054 0.0268 0.78 1.057 0.0288 0.85 1.1502 0.9989 3119529 ChemDiv3_003188 Cc1cc(C)c(C#N)c(SCc2ccccc2)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A21 compound treatment 0.999 -0.0282 -0.82 1.005 -0.0232 -0.69 -1.0633 -0.9962 1360295 ChemDiv3_003189 CCCC(=O)Oc1ccc(cc1)N(C(=O)CCC)S(=O)(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A22 compound treatment 1.029 0.00178 0.05 1.056 0.0278 0.82 0.6173 0.75 1447802 ChemDiv3_003190 Fc1ccc(cc1)C(=O)N2c3ccccc3C=Cc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A23 mock treatment 1.015 -0.0122 -0.35 1.012 -0.0162 -0.48 -0.5893 -0.9888 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 A24 mock treatment 1.0 -0.0272 -0.79 1.002 -0.0262 -0.78 -1.1055 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B01 compound treatment 0.992 -0.0352 -1.02 0.982 -0.0462 -1.37 -1.6875 -0.9896 3119530 ChemDiv3_003191 CC1C=CCC2C1C(=O)N(C2=O)c3cccc(Cl)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B02 compound treatment 1.004 -0.0232 -0.67 1.002 -0.0262 -0.78 -1.0236 -0.9975 3119531 ChemDiv3_003192 Nc1nc(SC/C=C/c2ccccc2)nc3sc4CCCCc4c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B03 compound treatment 0.997 -0.0302 -0.88 0.998 -0.0302 -0.89 -1.2506 -0.9999 1464526 ChemDiv3_003193 CCOC(=O)c1c(NC(=O)c2ccco2)sc3C(=O)CCCc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B04 compound treatment 1.004 -0.0232 -0.67 1.004 -0.0242 -0.72 -0.9818 -0.9995 3119532 ChemDiv3_003194 CCOC(=O)c1c(C)oc-2c1/C(=C/NCCC3=CCCCC3)/C(=O)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B05 compound treatment 1.051 0.0238 0.69 1.053 0.0248 0.73 1.0051 0.9995 3119533 ChemDiv3_003195 OC(=O)CCN1C(=O)/C(=C/c2ccccn2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B06 compound treatment 1.012 -0.0152 -0.44 1.012 -0.0162 -0.48 -0.6507 -0.9991 3119534 ChemDiv3_003196 CCOC(=O)C1=CC(=C2C(=O)NC(=O)NC2=O)c3ccccc3O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B07 compound treatment 0.989 -0.0382 -1.11 0.989 -0.0392 -1.16 -1.6026 -0.9997 3023099 ChemDiv3_003197 FC(F)(F)c1ccccc1NC(=O)CN2C(=O)/C(=C/c3ccccc3Cl)/SC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B08 compound treatment 0.992 -0.0352 -1.02 0.998 -0.0302 -0.89 -1.353 -0.9978 1219353 ChemDiv3_003198 O=C(CSC1=C(C#N)C(CC(=O)N1)c2ccccc2)Nc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B09 compound treatment 0.976 -0.0512 -1.48 0.98 -0.0482 -1.43 -2.057 -0.9998 3023100 ChemDiv3_003199 CN(Cc1ccccc1)C(=S)NC(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B10 compound treatment 1.049 0.0218 0.63 1.046 0.0178 0.53 0.8178 0.9959 3119535 ChemDiv3_003200 Cc1[nH]c2ccccc2c1C(Nc3cccc(c3)C(F)(F)F)c4ccccn4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B11 compound treatment 0.99 -0.0372 -1.08 0.995 -0.0332 -0.98 -1.4567 -0.9989 1069911 ChemDiv3_003201 Cc1ccc(cc1)S(=O)(=O)N2CN3CN(CN(C2)C3)S(=O)(=O)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B12 compound treatment 0.988 -0.0392 -1.14 0.998 -0.0302 -0.89 -1.4349 -0.9929 1300854 ChemDiv3_003202 CN(Cc1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc4sc(C)nc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B13 compound treatment 1.017 -0.0102 -0.3 1.016 -0.0122 -0.36 -0.4647 -0.9951 1562840 ChemDiv3_003203 CC(C)Cc1ccc(cc1)C(C)C(=O)NC(C)Cc2c[nH]c3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B14 compound treatment 0.995 -0.0322 -0.93 0.996 -0.0322 -0.95 -1.3334 -0.9999 3119536 ChemDiv3_003204 CCOC(=O)C1=CC(=C2C(=O)N(CC)C(=S)N(CC)C2=O)c3ccccc3O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B15 compound treatment 0.98 -0.0472 -1.37 0.988 -0.0402 -1.19 -1.8078 -0.9976 1519780 ChemDiv3_003205 NS(=O)(=O)c1ccc(NC(=O)C2CCCNC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B16 compound treatment 0.978 -0.0492 -1.43 0.982 -0.0462 -1.37 -1.9742 -0.9998 1286586 ChemDiv3_003206 CCOC(=O)c1c(oc2ccc(OCc3ccc(cc3)C(=O)OC)cc12)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B17 compound treatment 1.016 -0.0112 -0.32 1.007 -0.0212 -0.63 -0.6734 -0.9531 1529438 ChemDiv3_003207 CCc1ccc(cc1)n2nc3ccc(NC(=O)c4ccccc4Br)cc3n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B18 compound treatment 1.037 0.00978 0.28 1.029 7.81E-4 0.02 0.2166 0.7622 3119537 ChemDiv3_003208 CCc1nnc2c3c(c(C)sc3ncn12)c4ccc(F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B19 compound treatment 1.05 0.0228 0.66 1.041 0.0128 0.38 0.7337 0.965 3119538 ChemDiv3_003209 CC1=CCC2(C(C1)c3ccc(Br)cc3)C(=O)OC(C)(C)OC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B20 compound treatment 1.012 -0.0152 -0.44 1.012 -0.0162 -0.48 -0.6507 -0.9991 3023101 ChemDiv3_003210 C1CCc2c(C1)c(nc3ccc4ccccc4c23)c5ccco5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B21 compound treatment 1.04 0.0128 0.37 1.022 -0.00622 -0.18 0.1317 0.3187 3119539 ChemDiv3_003211 Clc1ccc(OCCn2c(NC(=S)Nc3ccccc3)nc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B22 compound treatment 0.999 -0.0282 -0.82 1.001 -0.0272 -0.8 -1.1469 -1.0 3023102 ChemDiv3_003212 CCOC(=O)N1CCN(CC1)C(=O)/C(=C/c2ccccc2Cl)/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B23 mock treatment 1.002 -0.0252 -0.73 1.002 -0.0262 -0.78 -1.0646 -0.9996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 B24 mock treatment 1.016 -0.0112 -0.32 1.028 -2.19E-4 -0.01 -0.2343 -0.721 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C01 compound treatment 1.025 -0.00222 -0.06 1.03 0.00178 0.05 -0.0082 -0.0987 3119540 ChemDiv3_003213 CCC1(CN(CC2(CC)CN(C1)S(=O)(=O)c3ccccc3)S(=O)(=O)c4ccccc4)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C02 compound treatment 1.029 0.00178 0.05 1.032 0.00378 0.11 0.1155 0.9383 1175485 ChemDiv3_003214 CCOC(=O)c1c(oc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc12)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C03 compound treatment 1.021 -0.00622 -0.18 1.017 -0.0112 -0.33 -0.3619 -0.9588 3023103 ChemDiv3_003215 CCOc1ccc(/N=c/2\scc(c3ccc(Cl)s3)n2C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C04 compound treatment 1.03 0.00278 0.08 1.035 0.00678 0.2 0.1987 0.9197 3023104 ChemDiv3_003216 O=C1c2ccccc2C(=Cc3cccs3)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C05 compound treatment 1.018 -0.00922 -0.27 1.022 -0.00622 -0.18 -0.3188 -0.9834 3119541 ChemDiv3_003217 CC1=C(C(NC(=O)N1)c2ccc(C)cc2)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C06 compound treatment 0.994 -0.0332 -0.96 0.998 -0.0302 -0.89 -1.312 -0.9993 1374480 ChemDiv3_003218 CCNC(=S)Nc1sc2COC(C)(C)Cc2c1C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C07 compound treatment 1.007 -0.0202 -0.59 1.016 -0.0122 -0.36 -0.6695 -0.9731 1491281 ChemDiv3_003219 CCNC(=O)C1CCCc2c1[nH]c3ccc(Cl)cc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C08 compound treatment 1.085 0.0578 1.67 1.08 0.0518 1.53 2.2658 0.999 3023105 ChemDiv3_003220 Cc1cc(OCC=C)nc(n1)N2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C09 compound treatment 0.976 -0.0512 -1.48 0.984 -0.0442 -1.31 -1.9733 -0.998 1399234 ChemDiv3_003221 CCc1ccc2oc(nc2c1)c3ccc(NC(=O)c4ccccc4)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C10 compound treatment 1.01 -0.0172 -0.5 1.011 -0.0172 -0.51 -0.7126 -0.9999 1371725 ChemDiv3_003222 O=P(CN(CC1CCCO1)Cc2cccs2)(c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C11 compound treatment 1.055 0.0278 0.8 1.045 0.0168 0.5 0.9198 0.973 3023106 ChemDiv3_003223 CCOC(=O)c1cnn(c1N)c2ncnc3sc4CCCCc4c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C12 compound treatment 1.033 0.00578 0.17 1.032 0.00378 0.11 0.1974 0.9807 3119542 ChemDiv3_003224 O=C/1N(CC2CCCO2)C(=S)S\C1=C/C3CCC=CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C13 compound treatment 1.038 0.0108 0.31 1.034 0.00578 0.17 0.3416 0.9598 1425019 ChemDiv3_003225 COc1ccc(cc1)C(=O)Nc2cccc(c2)c3nc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C14 compound treatment 0.999 -0.0282 -0.82 1.0 -0.0282 -0.83 -1.1678 -0.9999 3119543 ChemDiv3_003226 CC1CC(C)(C)N(C(=O)c2ccccc2F)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C15 compound treatment 1.046 0.0188 0.54 1.046 0.0178 0.53 0.7564 0.9999 3023107 ChemDiv3_003227 CCOC(=O)c1cccc2/C(=N\O)/c3ccccc3-c21 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C16 compound treatment 1.0 -0.0272 -0.79 1.005 -0.0232 -0.69 -1.0428 -0.9976 3119544 ChemDiv3_003228 CCOC(=O)C1=CS/C(=C\2/C(=S)C(C)(C)N(C(=O)CC(C)C)c3ccc(OCC)cc23)/S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C17 compound treatment 0.995 -0.0322 -0.93 0.989 -0.0392 -1.16 -1.4797 -0.9942 1029312 ChemDiv3_003229 OC(=O)c1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C18 compound treatment 1.013 -0.0142 -0.41 1.011 -0.0172 -0.51 -0.6512 -0.9945 3119545 ChemDiv3_003230 Cc1ccc(cc1)C(=O)N2CCc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C19 compound treatment 1.021 -0.00622 -0.18 1.024 -0.00422 -0.12 -0.2155 -0.9839 3119546 ChemDiv3_003231 CC(C)CCSc1nc(N)c2c3C(C)CCCc3sc2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C20 compound treatment 1.077 0.0498 1.44 1.064 0.0358 1.06 1.7675 0.9884 3023108 ChemDiv3_003232 CSc1nc(cc(c2cccs2)c1C#N)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C21 compound treatment 1.147 0.12 3.47 1.151 0.123 3.63 5.0198 0.9997 3023109 ChemDiv3_003233 Cc1ccc(cc1)S(=O)(=O)N=C2C=CC(=O)C=C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C22 compound treatment 1.037 0.00978 0.28 1.039 0.0108 0.32 0.4257 0.9983 1523680 ChemDiv3_003234 CN1C2CCC1C=C(C2)N(C(=O)c3ccc(Cl)cc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C23 mock treatment 1.033 0.00578 0.17 1.034 0.00578 0.17 0.2393 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 C24 mock treatment 1.032 0.00478 0.14 1.037 0.00878 0.26 0.2815 0.9567 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D01 compound treatment 1.01 -0.0172 -0.5 1.009 -0.0192 -0.57 -0.7544 -0.9979 1419514 ChemDiv3_003235 Brc1ccc(cc1)C(=O)COC(=O)C(Cc2ccccc2)N3C(=O)c4ccccc4C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D02 compound treatment 1.03 0.00278 0.08 1.023 -0.00522 -0.15 -0.0522 -0.2996 1537888 ChemDiv3_003236 CCCn1c(N)nc2n(C)c(=O)n(C)c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D03 compound treatment 1.012 -0.0152 -0.44 1.019 -0.00922 -0.27 -0.5044 -0.9733 3119547 ChemDiv3_003237 CCOC(=O)N1CCC(=C(C#N)C(=O)Nc2cc(OC)ccc2OC)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D04 compound treatment 1.017 -0.0102 -0.3 1.01 -0.0182 -0.54 -0.5902 -0.9602 3119682 ChemDiv3_003238 CCOC(=O)c1c(C)oc-2c1/C(=C/NCCc3c[nH]c4ccccc34)/C(=O)c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D05 compound treatment 0.993 -0.0342 -0.99 1.001 -0.0272 -0.8 -1.2698 -0.9947 1526203 ChemDiv3_003239 Cc1cccc(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D06 compound treatment 1.15 0.123 3.56 1.116 0.0878 2.6 4.3496 0.988 1546958 ChemDiv3_003240 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCc4ccc(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D07 compound treatment 0.997 -0.0302 -0.88 1.002 -0.0262 -0.78 -1.167 -0.9982 3023138 ChemDiv3_003241 CCOC(=O)C1=C(NC(=O)c2ccco2)Oc3ccc4ccccc4c3C1c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D08 compound treatment 1.018 -0.00922 -0.27 1.018 -0.0102 -0.3 -0.4024 -0.9981 1685642 ChemDiv3_003242 Cc1ccccc1NC(=O)CSC2=C(C#N)C(C3=C(CCCC3=O)N2)c4ccccc4C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D09 compound treatment 1.015 -0.0122 -0.35 1.011 -0.0172 -0.51 -0.6102 -0.9842 3023139 ChemDiv3_003243 S=C(NCCCN1CCOCC1)N(Cc2ccccc2)Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D10 compound treatment 1.023 -0.00422 -0.12 1.017 -0.0112 -0.33 -0.3209 -0.9079 3119683 ChemDiv3_003244 Cc1[nH]c2ccccc2c1C(Nc3ccccc3C(F)(F)F)c4ccccn4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D11 compound treatment 0.977 -0.0502 -1.45 0.975 -0.0532 -1.57 -2.141 -0.9992 1631606 ChemDiv3_003245 CCOc1ccc(cc1)C(=O)n2cnc3cc(C)c(C)cc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D12 compound treatment 1.033 0.00578 0.17 1.039 0.0108 0.32 0.3438 0.9548 1137693 ChemDiv3_003246 CCN1C(=O)c2cccc3c(NC(=O)c4ccc(cc4)S(=O)(=O)N5CCCCC5C)ccc1c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D13 compound treatment 1.064 0.0368 1.07 1.096 0.0678 2.0 2.1703 0.9563 1575379 ChemDiv3_003247 O=C(CCCN1C(=O)c2ccccc2C1=O)n3ccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D14 compound treatment 1.023 -0.00422 -0.12 1.018 -0.0102 -0.3 -0.3 -0.9206 1720106 ChemDiv3_003248 Cc1nn(C(=O)C2CCCN2S(=O)(=O)c3ccccc3)c(C)c1Sc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D15 compound treatment 1.101 0.0738 2.14 1.092 0.0638 1.89 2.8444 0.9981 3119684 ChemDiv3_003249 CC(Cc1c[nH]c2ccccc12)N(Cc3ccccc3)Cc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D16 compound treatment 1.03 0.00278 0.08 1.013 -0.0152 -0.45 -0.2612 -0.5714 3023140 ChemDiv3_003250 Brc1ccc(cc1)N2Cc3ccccc3C2=N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D17 compound treatment 1.019 -0.00822 -0.24 1.019 -0.00922 -0.27 -0.361 -0.9977 3119685 ChemDiv3_003251 CC1(C)CC(=O)C(=CNn2cnc3ccccc3c2=O)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D18 compound treatment 1.037 0.00978 0.28 1.032 0.00378 0.11 0.2794 0.9173 3023141 ChemDiv3_003252 Cc1ccc(SCc2cn3cccnc3n2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D19 compound treatment 1.025 -0.00222 -0.06 1.028 -2.19E-4 -0.01 -0.05 -0.7744 3023142 ChemDiv3_003253 CC(NC=C1C(=O)OC(C)(C)OC1=O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D20 compound treatment 1.108 0.0808 2.34 1.095 0.0668 1.97 3.0504 0.9964 1469730 ChemDiv3_003254 O=C1CC(c2ccccc2)c3c(N1)ccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D21 compound treatment 1.027 -2.19E-4 -0.01 1.026 -0.00222 -0.07 -0.0509 -0.7718 3119686 ChemDiv3_003255 Clc1ccc(Cn2c(NC(=S)Nc3ccccc3)nc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D22 compound treatment 1.01 -0.0172 -0.5 1.008 -0.0202 -0.6 -0.7753 -0.9959 3023143 ChemDiv3_003256 COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c3ccc(OC)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D23 mock treatment 1.033 0.00578 0.17 1.036 0.00778 0.23 0.2811 0.9878 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 D24 mock treatment 1.03 0.00278 0.08 1.034 0.00578 0.17 0.1778 0.9411 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E01 compound treatment 1.036 0.00878 0.25 1.029 7.81E-4 0.02 0.1962 0.7682 1562483 ChemDiv3_003257 CCSc1nc2sc3CCCc3c2c(=O)n1CCc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E02 compound treatment 1.031 0.00378 0.11 1.031 0.00278 0.08 0.1356 0.99 3119687 ChemDiv3_003258 OC(=O)c1cccc(c1)S(=O)(=O)/N=C\2/C=C(NS(=O)(=O)c3ccccc3)C(=O)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E03 compound treatment 1.032 0.00478 0.14 1.031 0.00278 0.08 0.1561 0.969 3023144 ChemDiv3_003259 COC(=O)CSc1nc(C)c(Br)c(O)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E04 compound treatment 1.009 -0.0182 -0.53 1.012 -0.0162 -0.48 -0.7122 -0.9989 1316178 ChemDiv3_003260 CC1(C)CC(=O)C2=C(C1)C(Nc3ccc4ccccc4c23)c5cccnc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E05 compound treatment 1.024 -0.00322 -0.09 1.024 -0.00422 -0.12 -0.1541 -0.9897 1294879 ChemDiv3_003261 COc1ccc(cc1OC)C2NC(=O)NC(=C2C(=O)c3ccccc3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E06 compound treatment 1.041 0.0138 0.4 1.036 0.00778 0.23 0.4449 0.9657 3119688 ChemDiv3_003262 C(CC1OCCCO1)Sc2nnc(o2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E07 compound treatment 1.089 0.0618 1.79 1.072 0.0438 1.29 2.1805 0.9874 1321422 ChemDiv3_003263 Cc1ccc2n(C)c3C(CCCc3c2c1)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E08 compound treatment 1.034 0.00678 0.2 1.031 0.00278 0.08 0.197 0.9253 1409750 ChemDiv3_003264 O=C1CC(c2csc(n2)c3ccccc3)C4(CCCCC4)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E09 compound treatment 1.007 -0.0202 -0.59 1.013 -0.0152 -0.45 -0.7322 -0.9915 1852910 ChemDiv3_003265 CN(C)N1C(=C(C#N)C(C2=C1CCCC2=O)c3ccccc3)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E10 compound treatment 1.023 -0.00422 -0.12 1.031 0.00278 0.08 -0.0282 -0.1918 3119689 ChemDiv3_003266 O=c1c(/C=N/CCc2ccccc2)c(NCCc3ccccc3)nc4ccccn14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E11 compound treatment 1.018 -0.00922 -0.27 1.012 -0.0162 -0.48 -0.5279 -0.9618 3023145 ChemDiv3_003267 CCc1cc2c(SCC(=O)c3ccc(Br)cc3)ncnc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E12 compound treatment 1.021 -0.00622 -0.18 1.019 -0.00922 -0.27 -0.3201 -0.9798 1550911 ChemDiv3_003268 Cc1ccc(NC(NC(=O)c2cccs2)C(=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E13 compound treatment 1.011 -0.0162 -0.47 1.011 -0.0172 -0.51 -0.6921 -0.9992 1203438 ChemDiv3_003269 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc2ccc3OCCOc3c2)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E14 compound treatment 1.024 -0.00322 -0.09 1.023 -0.00522 -0.15 -0.175 -0.9709 3119690 ChemDiv3_003270 CC1(C)CC(C)(c2ccccc2)c3ccccc3N1C(=O)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E15 compound treatment 1.052 0.0248 0.72 1.045 0.0168 0.5 0.8583 0.9838 3119691 ChemDiv3_003271 CCOc1ccc(cc1C)C(=O)C2=C(O)C(=O)N(CCN(CC)CC)C2c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E16 compound treatment 1.031 0.00378 0.11 1.033 0.00478 0.14 0.1774 0.992 3023146 ChemDiv3_003272 N/C(=N\C(=O)Nc1ccc(Cl)c(Cl)c1)/Nc2nc3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E17 compound treatment 1.068 0.0408 1.18 1.068 0.0398 1.18 1.6668 1.0 3119692 ChemDiv3_003273 COc1ccc(cc1)C2(CNC(=O)C(c3ccccc3)c4ccccc4)CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E18 compound treatment 1.016 -0.0112 -0.32 1.019 -0.00922 -0.27 -0.4225 -0.9962 3023147 ChemDiv3_003274 Cc1c(C)c2ccccc2n1C(=O)CSc3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E19 compound treatment 1.042 0.0148 0.43 1.035 0.00678 0.2 0.4445 0.9403 3119693 ChemDiv3_003275 Brc1ccc(CN2C(=O)N/C(=C/c3c[nH]c4ccc(Br)cc34)/C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E20 compound treatment 1.072 0.0448 1.3 1.052 0.0238 0.7 1.4142 0.9586 3023148 ChemDiv3_003276 NC(=N)NS(=O)(=O)c1ccc(/N=C/c2cccs2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E21 compound treatment 1.026 -0.00122 -0.04 1.024 -0.00422 -0.12 -0.1132 -0.8729 1153257 ChemDiv3_003277 CCCc1oc2c(cc(NS(=O)(=O)c3ccc(CC)cc3)c4ccccc24)c1C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E22 compound treatment 1.038 0.0108 0.31 1.039 0.0108 0.32 0.4462 0.9999 1596083 ChemDiv3_003278 OCCNc1ccc2ccccc2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E23 mock treatment 1.048 0.0208 0.6 1.043 0.0148 0.44 0.7346 0.9876 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 E24 mock treatment 1.054 0.0268 0.78 1.066 0.0378 1.12 1.3383 0.9841 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F01 compound treatment 1.023 -0.00422 -0.12 1.027 -0.00122 -0.04 -0.1119 -0.8783 1378106 ChemDiv3_003279 Cc1cccc(Oc2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4(C)C3=O)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F02 compound treatment 1.028 7.81E-4 0.02 1.023 -0.00522 -0.15 -0.0931 -0.597 1397787 ChemDiv3_003280 COc1ccc(cc1)c2nc(c(SC)[nH]2)S(=O)(=O)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F03 compound treatment 1.029 0.00178 0.05 1.032 0.00378 0.11 0.1155 0.9383 3119694 ChemDiv3_003281 OC(=O)c1cccc(c1)c2ccc(/C=c\3/sc4nc5ccccc5n4c3=O)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F04 compound treatment 1.016 -0.0112 -0.32 1.016 -0.0122 -0.36 -0.4852 -0.9986 3023149 ChemDiv3_003282 CCOC(=O)c1c(C)oc-2c1/C(=C/NC(C)c3ccccc3)/C(=O)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F05 compound treatment 1.023 -0.00422 -0.12 1.031 0.00278 0.08 -0.0282 -0.1918 1703292 ChemDiv3_003283 Cc1cccc(Oc2coc3cc(OC(=O)c4cccnc4)ccc3c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F06 compound treatment 1.161 0.134 3.87 1.134 0.106 3.13 4.9511 0.9944 1582822 ChemDiv3_003284 Fc1ccccc1c2nc(C#N)c(NCC3CCCO3)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F07 compound treatment 0.998 -0.0292 -0.85 1.004 -0.0242 -0.72 -1.1047 -0.9965 1065799 ChemDiv3_003285 S=C(Nc1ccccc1)N(Cc2ccccc2)Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F08 compound treatment 1.019 -0.00822 -0.24 1.021 -0.00722 -0.21 -0.3192 -0.9985 3023184 ChemDiv3_003286 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)/N=c/2\sc3cc(ccc3n2C)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F09 compound treatment 1.035 0.00778 0.23 1.035 0.00678 0.2 0.3011 0.9983 3119695 ChemDiv3_003287 CC1=CCC2C(C1)C(=O)N(C2=O)c3cccc(c3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F10 compound treatment 1.032 0.00478 0.14 1.032 0.00378 0.11 0.177 0.9944 3023185 ChemDiv3_003288 CCc1ccc(NC(=O)CC(NCc2ccccc2)C(=O)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F11 compound treatment 1.016 -0.0112 -0.32 1.025 -0.00322 -0.1 -0.297 -0.8774 3119854 ChemDiv3_003289 C(c1ccccc1)n2c-3c(CCOc4ccccc34)c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F12 compound treatment 0.997 -0.0302 -0.88 1.0 -0.0282 -0.83 -1.2088 -0.9997 1658105 ChemDiv3_003290 CC1CCCN(C1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccccc3c4nc5ccccc5[nH]4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F13 compound treatment 1.011 -0.0162 -0.47 1.01 -0.0182 -0.54 -0.713 -0.9977 1261842 ChemDiv3_003291 COc1ccc(cc1)C(=O)O[C@H](C2CC3CCN2CC3C=C)c4ccnc5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F14 compound treatment 1.029 0.00178 0.05 1.023 -0.00522 -0.15 -0.0726 -0.4464 1569329 ChemDiv3_003292 COc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)n3nc(C)cc3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F15 compound treatment 1.06 0.0328 0.95 1.061 0.0328 0.97 1.3566 0.9999 3119855 ChemDiv3_003293 Brc1ccc(NC(=O)C2CC(=O)N(/C(=N/c3ccccc3)/S2)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F16 compound treatment 1.067 0.0398 1.15 1.061 0.0328 0.97 1.5 0.9963 1411088 ChemDiv3_003294 CCN1C(=O)C(C2CC1(C)Oc3ccccc23)C(=O)N(Cc4ccccc4)Cc5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F17 compound treatment 1.029 0.00178 0.05 1.031 0.00278 0.08 0.0946 0.9748 3023186 ChemDiv3_003295 CNC=C1C(=O)c2ccccc2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F18 compound treatment 1.008 -0.0192 -0.56 1.016 -0.0122 -0.36 -0.649 -0.9781 1692589 ChemDiv3_003296 C(Sc1nc2ccccc2s1)c3cn4cccnc4n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F19 compound treatment 1.036 0.00878 0.25 1.04 0.0118 0.35 0.4261 0.988 3023187 ChemDiv3_003297 COc1ccc(cc1)c2noc(n2)c3cccc(F)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F20 compound treatment 1.024 -0.00322 -0.09 1.023 -0.00522 -0.15 -0.175 -0.9709 1402907 ChemDiv3_003298 ON1C(Nc2ccccc2C1=O)c3cccc(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F21 compound treatment 1.014 -0.0132 -0.38 1.017 -0.0112 -0.33 -0.5052 -0.9974 1260345 ChemDiv3_003299 Cn1c(=O)n(CCOc2ccccc2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F22 compound treatment 1.018 -0.00922 -0.27 1.019 -0.00922 -0.27 -0.3815 -0.9999 3119856 ChemDiv3_003300 CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NC2CC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F23 mock treatment 1.021 -0.00622 -0.18 1.021 -0.00722 -0.21 -0.2783 -0.9964 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 F24 mock treatment 1.034 0.00678 0.2 1.033 0.00478 0.14 0.2388 0.987 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G01 compound treatment 1.023 -0.00422 -0.12 1.024 -0.00422 -0.12 -0.1746 -0.9999 3119857 ChemDiv3_003301 O=S(=O)(N1CCCC1)c2ccc(cc2)c3cs/c(=N\c4ccccc4)/n3CCc5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G02 compound treatment 1.013 -0.0142 -0.41 1.015 -0.0132 -0.39 -0.5675 -0.9997 3023188 ChemDiv3_003302 CC1(C)Cc2c(ccc3ccccc23)C(=N1)NCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G03 compound treatment 1.015 -0.0122 -0.35 1.019 -0.00922 -0.27 -0.443 -0.9917 3119858 ChemDiv3_003303 CN(C)c1nc(SCCOC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G04 compound treatment 1.021 -0.00622 -0.18 1.025 -0.00322 -0.1 -0.1946 -0.9555 1481926 ChemDiv3_003304 O=CNC1c2ccccc2Oc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G05 compound treatment 1.024 -0.00322 -0.09 1.025 -0.00322 -0.1 -0.1332 -0.9999 1448737 ChemDiv3_003305 OC(=O)CCN1C(C(=C(O)C1=O)C(=O)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G06 compound treatment 1.025 -0.00222 -0.06 1.029 7.81E-4 0.02 -0.0291 -0.4262 1566191 ChemDiv3_003306 CCC1C(NC(CC1(O)c2ccc(F)cc2)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G07 compound treatment 1.035 0.00778 0.23 1.036 0.00778 0.23 0.322 0.9999 1652661 ChemDiv3_003307 CCN1CCn2c3C1CCCc3c4cc(Cl)ccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G08 compound treatment 1.133 0.106 3.06 1.174 0.146 4.31 5.214 0.986 1433683 ChemDiv3_003308 CC1(C)CC(=O)c2c(coc2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G09 compound treatment 1.01 -0.0172 -0.5 1.008 -0.0202 -0.6 -0.7753 -0.9959 1852959 ChemDiv3_003309 CCc1ccc(cc1)C2C(=C(N)N(N3CCOCC3)C4=C2C(=O)CC(C)(C)C4)C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G10 compound treatment 0.998 -0.0292 -0.85 1.003 -0.0252 -0.75 -1.1256 -0.998 3119859 ChemDiv3_003310 CC(C)CN1C(=O)/C(=C/C=C/c2ccccc2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G11 compound treatment 1.008 -0.0192 -0.56 1.01 -0.0182 -0.54 -0.7745 -0.9999 3023189 ChemDiv3_003311 Nc1nnnn1/N=C/c2ccc(o2)c3ccc4C(=O)OCc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G12 compound treatment 1.021 -0.00622 -0.18 1.018 -0.0102 -0.3 -0.341 -0.9694 1159102 ChemDiv3_003312 CCOc1ccc(NC(NC(=O)c2cccs2)C(=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G13 compound treatment 1.067 0.0398 1.15 1.053 0.0248 0.73 1.3327 0.9761 3023190 ChemDiv3_003313 CN(CC(=O)Nc1ccc(cc1)S(=O)(=O)N)S(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G14 compound treatment 1.023 -0.00422 -0.12 1.025 -0.00322 -0.1 -0.1537 -0.9924 3119860 ChemDiv3_003314 Cc1nc(N/C(=N/C(=O)c2ccccc2)/N)nc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G15 compound treatment 1.009 -0.0182 -0.53 1.011 -0.0172 -0.51 -0.7331 -0.9998 1346700 ChemDiv3_003315 Cc1ccc(cc1)C(O)(C(=O)NN2CCOCC2)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G16 compound treatment 1.087 0.0598 1.73 1.091 0.0628 1.86 2.5368 0.9994 3023191 ChemDiv3_003316 Cc1cc(C)n(n1)C(=O)Nc2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G17 compound treatment 1.033 0.00578 0.17 1.031 0.00278 0.08 0.1765 0.9464 1424365 ChemDiv3_003317 CC(C)c1ccc(cc1)S(=O)(=O)N2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G18 compound treatment 1.014 -0.0132 -0.38 1.02 -0.00822 -0.24 -0.4425 -0.9759 1360094 ChemDiv3_003318 COC(=O)c1ccccc1NC(=O)NC2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G19 compound treatment 1.024 -0.00322 -0.09 1.028 -2.19E-4 -0.01 -0.0705 -0.7544 3119861 ChemDiv3_003319 COC(=O)c1ccc(/C=C\2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G20 compound treatment 1.111 0.0838 2.43 1.113 0.0848 2.51 3.4882 0.9999 3023192 ChemDiv3_003320 Fc1ccc(NC(=S)N2CCc3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G21 compound treatment 1.035 0.00778 0.23 1.035 0.00678 0.2 0.3011 0.9983 1104701 ChemDiv3_003321 Cc1ccc(cc1)S(=O)(=O)N=C2C=CC(=NS(=O)(=O)c3ccc(C)cc3)C=C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G22 compound treatment 1.015 -0.0122 -0.35 1.016 -0.0122 -0.36 -0.5057 -0.9999 1056920 ChemDiv3_003322 Cc1ccc(Oc2nc(Cl)nc(Oc3ccc(C)cc3)n2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G23 mock treatment 1.099 0.0718 2.08 1.062 0.0338 1.0 2.1762 0.9436 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 G24 mock treatment 1.093 0.0658 1.91 1.101 0.0728 2.15 2.8687 0.9982 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H01 compound treatment 1.022 -0.00522 -0.15 1.029 7.81E-4 0.02 -0.0905 -0.5922 1634360 ChemDiv3_003323 COC(=O)c1cc(nc2ccccc12)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H02 compound treatment 1.026 -0.00122 -0.04 1.03 0.00178 0.05 0.0123 0.1937 3119862 ChemDiv3_003324 CN1C(=O)NC(C(C(=O)c2cccs2)C1(O)C(F)(F)F)c3cccnc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H03 compound treatment 1.023 -0.00422 -0.12 1.026 -0.00222 -0.07 -0.1328 -0.9575 3119863 ChemDiv3_003325 Cc1ccc(cc1)C(=O)N2N=C3N(C2N4CCCCC4)S(=O)(=O)c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H04 compound treatment 1.074 0.0468 1.35 1.066 0.0378 1.12 1.7479 0.9954 1358055 ChemDiv3_003326 CCOC(=O)c1c(C)oc2c1c3CN(COc3c4ccccc24)C5CCCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H05 compound treatment 1.023 -0.00422 -0.12 1.026 -0.00222 -0.07 -0.1328 -0.9575 1274629 ChemDiv3_003327 COc1ccc(Nc2ncnc3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H06 compound treatment 1.019 -0.00822 -0.24 1.018 -0.0102 -0.3 -0.3819 -0.993 1496041 ChemDiv3_003328 CCSC1=C(C#N)C(C2=C(CCCC2=O)N1)c3ccc(cc3)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H07 compound treatment 1.032 0.00478 0.14 1.031 0.00278 0.08 0.1561 0.969 3023235 ChemDiv3_003329 S=C(NC1CCCCC1)N(Cc2ccccc2)Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H08 compound treatment 1.179 0.152 4.4 1.174 0.146 4.31 6.156 1.0 3119864 ChemDiv3_003330 Cn1/c(=N\C(=O)c2cc(nc3ccccc23)c4ccccc4)/sc5cc(ccc15)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H09 compound treatment 0.825 -0.202 -5.86 0.825 -0.203 -6.01 -8.3897 -0.9999 1302654 ChemDiv3_003331 CC(NC(=O)CSc1nc(N)cc(=O)[nH]1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H10 compound treatment 1.0 -0.0272 -0.79 1.001 -0.0272 -0.8 -1.1264 -0.9999 3119865 ChemDiv3_003332 Cc1ccc(NC(=O)CC(NCCc2ccccc2)C(=O)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H11 compound treatment 1.04 0.0128 0.37 1.035 0.00678 0.2 0.4035 0.9585 1349929 ChemDiv3_003333 OCC(=O)c1c[nH]c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H12 compound treatment 1.08 0.0528 1.53 1.056 0.0278 0.82 1.6617 0.9576 1430458 ChemDiv3_003334 CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccccc2c3nc4ccccc4[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H13 compound treatment 1.02 -0.00722 -0.21 1.028 -2.19E-4 -0.01 -0.1524 -0.7286 1534077 ChemDiv3_003335 O=C1CCC(=O)N1CCc2c[nH]c3ccc(OCc4ccccc4)cc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H14 compound treatment 1.011 -0.0162 -0.47 1.012 -0.0162 -0.48 -0.6712 -0.9999 1226556 ChemDiv3_003336 OC(=O)CSc1nnc(c2ccc3OCOc3c2)n1CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H15 compound treatment 1.05 0.0228 0.66 1.041 0.0128 0.38 0.7337 0.965 3119866 ChemDiv3_003337 COc1ccccc1NC(=O)C2CC(=O)N(C)/C(=N/c3ccccc3)/S2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H16 compound treatment 1.052 0.0248 0.72 1.058 0.0298 0.88 1.1301 0.9948 1518221 ChemDiv3_003338 O=S1(=O)CC2C(C1)N(C(=S)N2c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H17 compound treatment 1.024 -0.00322 -0.09 1.027 -0.00122 -0.04 -0.0914 -0.9145 3119867 ChemDiv3_003339 Oc1ccccc1NC=C2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H18 compound treatment 1.01 -0.0172 -0.5 1.013 -0.0152 -0.45 -0.6708 -0.9987 3023236 ChemDiv3_003340 CCOC(=S)SCc1cn2cccnc2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H19 compound treatment 1.007 -0.0202 -0.59 1.015 -0.0132 -0.39 -0.6904 -0.9807 3119868 ChemDiv3_003341 NC(=O)C1CCN(CC1)C(=O)c2cccc(Cl)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H20 compound treatment 1.013 -0.0142 -0.41 1.015 -0.0132 -0.39 -0.5675 -0.9997 3120012 ChemDiv3_003342 O=C1c2ccccc2-c3c1c4ccccc4nc3c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H21 compound treatment 1.007 -0.0202 -0.59 1.009 -0.0192 -0.57 -0.8158 -0.9999 3120013 ChemDiv3_003343 Cc1cc(/C=C\2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H22 compound treatment 1.033 0.00578 0.17 1.036 0.00778 0.23 0.2811 0.9878 3023237 ChemDiv3_003344 Clc1ccccc1/C=C(/C(=O)NCc2ccccn2)\c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H23 mock treatment 1.021 -0.00622 -0.18 1.026 -0.00222 -0.07 -0.1737 -0.9064 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 H24 mock treatment 1.015 -0.0122 -0.35 1.018 -0.0102 -0.3 -0.4639 -0.9969 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I01 compound treatment 1.019 -0.00822 -0.24 1.026 -0.00222 -0.07 -0.2147 -0.8696 3120014 ChemDiv3_003345 COc1cc(/N=c/2\scc(c3ccc(cc3)S(=O)(=O)N4CCCC4)n2C)c(OC)cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I02 compound treatment 1.004 -0.0232 -0.67 1.007 -0.0212 -0.63 -0.9191 -0.9994 3023238 ChemDiv3_003346 COc1cc2CC(C)(C)N=C(NCCC(=O)O)c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I03 compound treatment 1.009 -0.0182 -0.53 1.009 -0.0192 -0.57 -0.7749 -0.9993 3023239 ChemDiv3_003347 COc1cc(C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I04 compound treatment 1.058 0.0308 0.89 1.058 0.0298 0.88 1.253 1.0 1482999 ChemDiv3_003348 Cc1ccc(OC(=O)C2c3ccccc3Oc4ccccc24)cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I05 compound treatment 1.013 -0.0142 -0.41 1.011 -0.0172 -0.51 -0.6512 -0.9945 3120015 ChemDiv3_003349 CCC(=O)c1ccc(OC(=O)c2cn(nc2c3ccccc3)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I06 compound treatment 1.008 -0.0192 -0.56 1.016 -0.0122 -0.36 -0.649 -0.9781 1537398 ChemDiv3_003350 CCC1C(NC(C(CC)C1=NO)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I07 compound treatment 1.016 -0.0112 -0.32 1.015 -0.0132 -0.39 -0.5061 -0.9958 3120016 ChemDiv3_003351 Cn1c2-c3cnn(c3CC(C)(C)c2c4ccccc14)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I08 compound treatment 1.103 0.0758 2.19 1.115 0.0868 2.57 3.3662 0.997 1580288 ChemDiv3_003352 Cc1cc(C)cc(OCCn2c(nc3ccccc3c2=O)c4ccc(Cl)cc4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I09 compound treatment 1.011 -0.0162 -0.47 1.014 -0.0142 -0.42 -0.6294 -0.9985 1853000 ChemDiv3_003353 NC1=C(C#N)C(C2=C(CC(CC2=O)c3ccccc3)N1N4CCOCC4)c5ccccc5Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I10 compound treatment 1.0 -0.0272 -0.79 1.004 -0.0242 -0.72 -1.0637 -0.9988 3120017 ChemDiv3_003354 COc1ccc(CCN2C(=O)/C(=C/C3CCC=CC3)/SC2=S)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I11 compound treatment 1.007 -0.0202 -0.59 1.012 -0.0162 -0.48 -0.7531 -0.9951 3120018 ChemDiv3_003355 COc1cc(/C=C/2\C(=O)N(N=C2C(F)(F)F)c3ccc(cc3)S(=O)(=O)N)ccc1OCC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I12 compound treatment 1.023 -0.00422 -0.12 1.023 -0.00522 -0.15 -0.1955 -0.9933 1472706 ChemDiv3_003356 CC(=O)Nc1ccc(NC(NC(=O)c2cccs2)C(=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I13 compound treatment 1.012 -0.0152 -0.44 1.021 -0.00722 -0.21 -0.4626 -0.9446 1582486 ChemDiv3_003357 COc1ccc2[nH]c3nc(=S)[nH]nc3c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I14 compound treatment 0.987 -0.0402 -1.16 0.999 -0.0292 -0.86 -1.4345 -0.9892 3120019 ChemDiv3_003358 CCC(=O)/N=C(\N)/Nc1nc(C)c2ccccc2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I15 compound treatment 1.014 -0.0132 -0.38 1.011 -0.0172 -0.51 -0.6307 -0.9901 3023240 ChemDiv3_003359 CC(C)(C)C(=O)/C=C/1\Nc2ccccc2OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I16 compound treatment 1.015 -0.0122 -0.35 1.018 -0.0102 -0.3 -0.4639 -0.9969 3120020 ChemDiv3_003360 Cc1ccc2NC(C)(C)c3ss/c(=N/c4ccc(cc4)S(=O)(=O)N)/c3-c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I17 compound treatment 1.044 0.0168 0.49 1.047 0.0188 0.56 0.7363 0.9978 1374353 ChemDiv3_003361 CN(C)C1OC2=C(C=C1C)C(=O)c3cccc4cccc2c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I18 compound treatment 1.006 -0.0212 -0.61 1.016 -0.0122 -0.36 -0.69 -0.9679 1323310 ChemDiv3_003362 C1Cc2ccccc2CN1c3nc(Nc4ccccc4)nc(Nc5ccccc5)n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I19 compound treatment 1.037 0.00978 0.28 1.046 0.0178 0.53 0.572 0.9579 3120021 ChemDiv3_003363 CC(C)(C)c1ccc(/C=C\2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I20 compound treatment 1.063 0.0358 1.04 1.064 0.0358 1.06 1.4808 0.9999 3023241 ChemDiv3_003364 FC(F)(F)c1cccc(CC(=O)Nc2ccccc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I21 compound treatment 0.993 -0.0342 -0.99 0.99 -0.0382 -1.13 -1.4998 -0.9979 3120022 ChemDiv3_003365 Fc1ccc(cc1)S(=O)(=O)/N=C/2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I22 compound treatment 1.009 -0.0182 -0.53 1.014 -0.0142 -0.42 -0.6704 -0.9937 3023242 ChemDiv3_003366 C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)/C(=O)NC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I23 mock treatment 1.025 -0.00222 -0.06 1.019 -0.00922 -0.27 -0.2382 -0.8505 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 I24 mock treatment 1.061 0.0338 0.98 1.074 0.0458 1.35 1.6489 0.9873 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J01 compound treatment 0.999 -0.0282 -0.82 1.001 -0.0272 -0.8 -1.1469 -1.0 3120023 ChemDiv3_003367 CCCCC(=O)/C=C/1\Nc2ccccc2NC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J02 compound treatment 1.006 -0.0212 -0.61 1.004 -0.0242 -0.72 -0.9409 -0.9971 3120024 ChemDiv3_003368 CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)/SC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J03 compound treatment 0.989 -0.0382 -1.11 1.001 -0.0272 -0.8 -1.3517 -0.9877 1324615 ChemDiv3_003369 Clc1ccc(cc1)C2SCC(=O)N2Nc3nc(Nc4ccccc4)nc(n3)N5CCCCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J04 compound treatment 1.007 -0.0202 -0.59 1.009 -0.0192 -0.57 -0.8158 -0.9999 1715130 ChemDiv3_003370 Clc1cc2CN(CCC3=CCCCC3)COc2c4ncccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J05 compound treatment 0.996 -0.0312 -0.9 1.001 -0.0272 -0.8 -1.2084 -0.9983 1591815 ChemDiv3_003371 COC(=O)c1ccc(Nc2cc(C)nc3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J06 compound treatment 1.025 -0.00222 -0.06 1.029 7.81E-4 0.02 -0.0291 -0.4262 1445792 ChemDiv3_003372 Fc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)C(=O)N2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J07 compound treatment 1.024 -0.00322 -0.09 1.027 -0.00122 -0.04 -0.0914 -0.9145 3022562 ChemDiv3_003373 S=C(NC1CCCCC1)N(CC2CCC=CC2)Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J08 compound treatment 1.03 0.00278 0.08 1.031 0.00278 0.08 0.1151 0.9999 3120025 ChemDiv3_003374 COc1cccc(OC)c1C(=O)/N=c/2\sc3cc(ccc3n2C)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J09 compound treatment 1.003 -0.0242 -0.7 1.009 -0.0192 -0.57 -0.8978 -0.9945 3022578 ChemDiv3_003375 COc1ccc(cc1)C2=[N+]([O-])C(C)(C)C(=N2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J10 compound treatment 1.013 -0.0142 -0.41 1.014 -0.0142 -0.42 -0.5884 -0.9999 3120026 ChemDiv3_003376 CN(C)C(CC(=O)Nc1ccccc1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J11 compound treatment 0.887 -0.14 -4.06 0.896 -0.132 -3.91 -5.6357 -0.9998 3120027 ChemDiv3_003377 COC(=O)C1O[N+](=C(C1c2c[nH]c3ccccc23)C(=O)OC)[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J12 compound treatment 1.022 -0.00522 -0.15 1.021 -0.00722 -0.21 -0.2578 -0.9857 1251370 ChemDiv3_003378 CN(Cc1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccc(cc3)c4nc5ccccc5[nH]4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J13 compound treatment 1.008 -0.0192 -0.56 1.012 -0.0162 -0.48 -0.7326 -0.9972 3120028 ChemDiv3_003379 CN1CCc2cc(ccc12)/C(=C/c3ccccc3)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J14 compound treatment 1.149 0.122 3.53 1.146 0.118 3.48 4.9563 1.0 3022585 ChemDiv3_003380 OC(=O)CSc1nnc(c2sc3ccccc3c2Cl)n1CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J15 compound treatment 1.039 0.0118 0.34 1.041 0.0128 0.38 0.5085 0.9987 3120029 ChemDiv3_003381 Clc1ccc(NC(=S)N2CCSC2c3ccc(Br)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J16 compound treatment 1.028 7.81E-4 0.02 1.03 0.00178 0.05 0.0532 0.9288 1628252 ChemDiv3_003382 Cn1c(=O)n(C)c2nc(SCC(=O)c3ccccc3)n(CCCc4ccccc4)c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J17 compound treatment 1.031 0.00378 0.11 1.031 0.00278 0.08 0.1356 0.99 3022590 ChemDiv3_003383 CC1(C)CC(=O)C(=CNc2cccc(NC3=C(C#N)C(=O)CC(C)(C)C3)c2)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J18 compound treatment 1.024 -0.00322 -0.09 1.028 -2.19E-4 -0.01 -0.0705 -0.7544 3120030 ChemDiv3_003384 CCN(CC)C(=S)SCc1cn2cccnc2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J19 compound treatment 1.004 -0.0232 -0.67 1.018 -0.0102 -0.3 -0.6891 -0.9348 1198374 ChemDiv3_003385 COc1cccc(c1)C(=O)NC2CC(C)(C)NC(C)(C)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J20 compound treatment 1.085 0.0578 1.67 1.114 0.0858 2.54 2.9766 0.9796 3120031 ChemDiv3_003386 Cc1ccc(CN(CC(=O)NC2CC2)S(=O)(=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J21 compound treatment 1.029 0.00178 0.05 1.032 0.00378 0.11 0.1155 0.9383 3022623 ChemDiv3_003387 CCOC(=O)c1ccc(cc1)N2N=C(/C(=C/C=C/c3ccco3)/C2=O)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J22 compound treatment 0.991 -0.0362 -1.05 0.992 -0.0362 -1.07 -1.4989 -0.9999 3120032 ChemDiv3_003388 CNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J23 mock treatment 1.015 -0.0122 -0.35 1.016 -0.0122 -0.36 -0.5057 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 J24 mock treatment 1.032 0.00478 0.14 1.038 0.00978 0.29 0.3024 0.9431 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K01 compound treatment 1.018 -0.00922 -0.27 1.014 -0.0142 -0.42 -0.486 -0.976 3120169 ChemDiv3_003389 CCOc1ccc(/N=c/2\scc(c3ccc(cc3)S(=O)(=O)N(CC)CC)n2CCCO)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K02 compound treatment 1.013 -0.0142 -0.41 1.017 -0.0112 -0.33 -0.5257 -0.9942 1658725 ChemDiv3_003390 C1C2CC3CC1CC(C2)(C3)c4cc5ccccc5[nH]4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K03 compound treatment 1.018 -0.00922 -0.27 1.012 -0.0162 -0.48 -0.5279 -0.9618 1415577 ChemDiv3_003391 CCCOc1ccc(CNC(=S)NCc2ccc(OC(C)C)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K04 compound treatment 1.002 -0.0252 -0.73 1.012 -0.0162 -0.48 -0.8555 -0.9792 1601172 ChemDiv3_003392 Clc1ccc(OC(=O)C2c3ccccc3Oc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K05 compound treatment 1.059 0.0318 0.92 1.05 0.0218 0.64 1.1062 0.9847 3120170 ChemDiv3_003393 O=C(Oc1cccc2cccnc12)c3cn(nc3c4ccccc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K06 compound treatment 1.02 -0.00722 -0.21 1.027 -0.00122 -0.04 -0.1733 -0.8169 1273524 ChemDiv3_003394 CC(=O)OC1C(OC(=O)C)N(C(=O)C)C(=O)N1C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K07 compound treatment 1.021 -0.00622 -0.18 1.022 -0.00622 -0.18 -0.2574 -0.9999 1721819 ChemDiv3_003395 CCOC(=O)c1sc(C)c2C(=O)NC(C)(Nc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K08 compound treatment 1.047 0.0198 0.57 1.059 0.0308 0.91 1.0486 0.9751 3022632 ChemDiv3_003396 CCOC(=O)Cn1cc(F)c(=O)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K09 compound treatment 1.013 -0.0142 -0.41 1.01 -0.0182 -0.54 -0.6721 -0.9912 1853144 ChemDiv3_003397 CC1(C)CC(=O)C2=C(C1)N(C(=C(C#N)C2c3ccsc3)N)c4nc[nH]n4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K10 compound treatment 1.004 -0.0232 -0.67 1.013 -0.0152 -0.45 -0.7937 -0.9809 3120171 ChemDiv3_003398 C=CCN1C(=O)/C(=c/2\sc3nc(nn3c2=O)c4ccccc4)/c5ccccc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K11 compound treatment 1.012 -0.0152 -0.44 1.011 -0.0172 -0.51 -0.6716 -0.9974 1685244 ChemDiv3_003399 CC(C)c1ccc(C)cc1OCC(=O)Nc2cc(ccc2C)c3nc4ncccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K12 compound treatment 1.019 -0.00822 -0.24 1.026 -0.00222 -0.07 -0.2147 -0.8696 3120172 ChemDiv3_003400 FC(F)(F)c1cccc(NC(NC(=O)c2cccs2)C(=O)c3ccccc3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K13 compound treatment 1.025 -0.00222 -0.06 1.022 -0.00622 -0.18 -0.1754 -0.9008 3022674 ChemDiv3_003401 CN(C)c1cccc2c(/C=N/O)ccc(N(C)C)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K14 compound treatment 0.995 -0.0322 -0.93 1.0 -0.0282 -0.83 -1.2497 -0.9984 1204566 ChemDiv3_003402 COc1cccc(c1)C(=O)N2C(C)CC(Nc3ccccc3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K15 compound treatment 1.03 0.00278 0.08 1.023 -0.00522 -0.15 -0.0522 -0.2996 3120173 ChemDiv3_003403 O=S1(=O)CCC(C1)/N=C/c2cn(nc2c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K16 compound treatment 0.994 -0.0332 -0.96 0.997 -0.0312 -0.92 -1.3329 -0.9998 3022677 ChemDiv3_003404 Cc1cc(C)nc(N/C(=N\C(=O)Nc2cccc(Cl)c2)/Nc3ccccc3C)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K17 compound treatment 1.061 0.0338 0.98 1.06 0.0318 0.94 1.3562 0.9998 1257823 ChemDiv3_003405 Cc1ccc(cc1)S(=O)(=O)N2CCN(C2)S(=O)(=O)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K18 compound treatment 1.009 -0.0182 -0.53 1.02 -0.00822 -0.24 -0.5449 -0.9381 3022679 ChemDiv3_003406 Cc1nnc(Sc2nc(Nc3ccccc3)nc(Nc4ccccc4)n2)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K19 compound treatment 1.026 -0.00122 -0.04 1.028 -2.19E-4 -0.01 -0.0295 -0.823 3120174 ChemDiv3_003407 CCOC(=O)CN1C(=O)S/C(=C/c2ccc3n(C)c(=O)n(C)c3c2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K20 compound treatment 1.026 -0.00122 -0.04 1.032 0.00378 0.11 0.0541 0.4614 3022681 ChemDiv3_003408 COc1ccccc1/C=C/c2ccccc2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K21 compound treatment 1.011 -0.0162 -0.47 1.007 -0.0212 -0.63 -0.7757 -0.9898 1498680 ChemDiv3_003409 CC1(C)CC(=O)c2c(C1)oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K22 compound treatment 1.07 0.0428 1.24 1.064 0.0358 1.06 1.6241 0.9969 1249568 ChemDiv3_003410 CCOC(=O)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K23 mock treatment 1.007 -0.0202 -0.59 1.004 -0.0242 -0.72 -0.9204 -0.995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 K24 mock treatment 0.985 -0.0422 -1.22 0.999 -0.0292 -0.86 -1.4754 -0.9855 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L01 compound treatment 1.014 -0.0132 -0.38 1.017 -0.0112 -0.33 -0.5052 -0.9974 3120175 ChemDiv3_003411 FC(F)(F)c1cc(nc(SCC2COc3ccccc3O2)c1C#N)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L02 compound treatment 1.011 -0.0162 -0.47 1.001 -0.0272 -0.8 -0.9012 -0.9671 1425939 ChemDiv3_003412 CCOC(=O)c1c(C)oc2c1c(C(N3CCOCC3)c4ccc(OC)cc4)c(O)c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L03 compound treatment 1.045 0.0178 0.51 1.05 0.0218 0.64 0.8195 0.9939 3022724 ChemDiv3_003413 COc1cccc(c1)C(=O)NC(=S)Nc2ccc(O)c(c2)c3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L04 compound treatment 1.017 -0.0102 -0.3 1.01 -0.0182 -0.54 -0.5902 -0.9602 1551789 ChemDiv3_003414 CCOC(=O)c1c(C)oc2c1c(CN3CCN(CC3)c4ccccc4F)c(O)c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L05 compound treatment 1.013 -0.0142 -0.41 1.013 -0.0152 -0.45 -0.6093 -0.999 1695085 ChemDiv3_003415 Cc1cc(C)cc(Oc2coc3c(CN4CCCCCC4)c(O)ccc3c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L06 compound treatment 1.083 0.0558 1.62 1.114 0.0858 2.54 2.9357 0.9763 1264677 ChemDiv3_003416 CC1(C)CC(=O)c2cc(C#N)c(SCSc3nc4CC(C)(C)CC(=O)c4cc3C#N)nc2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L07 compound treatment 1.019 -0.00822 -0.24 1.025 -0.00322 -0.1 -0.2356 -0.9191 3022730 ChemDiv3_003417 CNC(=S)N(Cc1ccccc1)Cc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L08 compound treatment 1.007 -0.0202 -0.59 1.009 -0.0192 -0.57 -0.8158 -0.9999 1376336 ChemDiv3_003418 COc1ccccc1N2CCN(CC2)S(=O)(=O)c3ccc4NC(=O)c5cccc3c45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L09 compound treatment 1.002 -0.0252 -0.73 1.006 -0.0222 -0.66 -0.981 -0.9986 3022732 ChemDiv3_003419 CC1(C)N(O)C([N+](=C1c2ccccc2)[O-])c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L10 compound treatment 1.059 0.0318 0.92 1.054 0.0258 0.76 1.1898 0.9956 1170952 ChemDiv3_003420 CC1CCCCN1S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc5ccccc5c4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L11 compound treatment 0.981 -0.0462 -1.34 1.0 -0.0282 -0.83 -1.5364 -0.9741 1148202 ChemDiv3_003421 OC(=O)C(c1c(O)c2ccccc2oc1=O)c3c(O)c4ccccc4oc3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L12 compound treatment 0.981 -0.0462 -1.34 0.99 -0.0382 -1.13 -1.7455 -0.9965 1446893 ChemDiv3_003422 CC1CCCCN1S(=O)(=O)c2ccc(cc2)C(=O)Nc3cccc(c3)c4nc5ccccc5[nH]4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L13 compound treatment 1.007 -0.0202 -0.59 1.009 -0.0192 -0.57 -0.8158 -0.9999 1283305 ChemDiv3_003423 CC(Cc1c[nH]c2ccccc12)NC(=O)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L14 compound treatment 0.989 -0.0382 -1.11 0.987 -0.0412 -1.22 -1.6444 -0.9988 1042488 ChemDiv3_003424 Nc1cc(=O)[nH]c(=O)n1Cc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L15 compound treatment 1.084 0.0568 1.64 1.092 0.0638 1.89 2.4962 0.9977 3022737 ChemDiv3_003425 O=C1CCCN1CN2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L16 compound treatment 1.051 0.0238 0.69 1.043 0.0148 0.44 0.796 0.9759 3120176 ChemDiv3_003426 O=C(CSc1nnc2ccccn12)Nc3ccc4ccccc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L17 compound treatment 1.041 0.0138 0.4 1.043 0.0148 0.44 0.5912 0.999 1376805 ChemDiv3_003427 CC1(C)CC(=O)c2c(N)n(nc2C1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L18 compound treatment 1.026 -0.00122 -0.04 1.028 -2.19E-4 -0.01 -0.0295 -0.823 1683693 ChemDiv3_003428 N1C(=CC(c2cccs2)n3ncnc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L19 compound treatment 1.024 -0.00322 -0.09 1.029 7.81E-4 0.02 -0.0496 -0.5163 1148459 ChemDiv3_003429 CCn1c2ccccc2c3cc(NC(=O)C(C)C)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L20 compound treatment 1.031 0.00378 0.11 1.025 -0.00322 -0.1 0.0101 0.0699 3120177 ChemDiv3_003430 Brc1ccc(cc1)S(=O)(=O)N(CCc2ccccc2)CC(=O)NC3CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L21 compound treatment 1.043 0.0158 0.46 1.038 0.00978 0.29 0.5277 0.9756 3022799 ChemDiv3_003431 COc1ccc(cc1)c2c(C)oc3cc(OC)ccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L22 compound treatment 1.028 7.81E-4 0.02 1.021 -0.00722 -0.21 -0.1349 -0.6286 3120178 ChemDiv3_003432 Cc1cccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)C)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L23 mock treatment 1.102 0.0748 2.17 1.084 0.0558 1.65 2.6976 0.991 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 L24 mock treatment 1.033 0.00578 0.17 1.032 0.00378 0.11 0.1974 0.9807 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M01 compound treatment 1.008 -0.0192 -0.56 1.0 -0.0282 -0.83 -0.9835 -0.9806 3022801 ChemDiv3_003433 CCn/1c(cs\c1=N/c2ccc(C)cc2)c3ccc(F)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M02 compound treatment 1.001 -0.0262 -0.76 1.001 -0.0272 -0.8 -1.106 -0.9996 1692578 ChemDiv3_003434 C1C2CC3CC1CC(C2)(C3)c4csc(n4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M03 compound treatment 0.988 -0.0392 -1.14 0.986 -0.0422 -1.25 -1.6858 -0.9989 1182241 ChemDiv3_003435 COc1ccc(cc1)N(C(=O)c2ccccc2)S(=O)(=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M04 compound treatment 1.003 -0.0242 -0.7 1.01 -0.0182 -0.54 -0.8768 -0.9915 1022728 ChemDiv3_003436 Cc1ccc(cc1)S(=O)(=O)NC2c3ccccc3Oc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M05 compound treatment 0.998 -0.0292 -0.85 0.995 -0.0332 -0.98 -1.2928 -0.9972 3120179 ChemDiv3_003437 CC1(CC(=Nc2ccccc2N1)c3cccs3)c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M06 compound treatment 0.995 -0.0322 -0.93 0.996 -0.0322 -0.95 -1.3334 -0.9999 1002478 ChemDiv3_003438 Clc1ccc(Nc2ncnc3n(ncc23)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M07 compound treatment 1.023 -0.00422 -0.12 1.016 -0.0122 -0.36 -0.3418 -0.8964 1660145 ChemDiv3_003439 CCOC(=O)c1sc(C)c2C(=O)NC(Nc12)c3ccc(cc3)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M08 compound treatment 1.011 -0.0162 -0.47 1.008 -0.0202 -0.6 -0.7548 -0.9929 1199493 ChemDiv3_003440 Cc1nc2sccn2c1c3csc(Nc4ccc(cc4)C(=O)O)n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M09 compound treatment 1.007 -0.0202 -0.59 1.003 -0.0252 -0.75 -0.9413 -0.9928 1703311 ChemDiv3_003441 Cc1ccc(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M10 compound treatment 0.971 -0.0562 -1.63 0.978 -0.0502 -1.48 -2.2012 -0.9989 3022808 ChemDiv3_003442 Oc1ccc(/C=C/2\SC(=S)N(CC3CCCO3)C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M11 compound treatment 0.986 -0.0412 -1.19 0.981 -0.0472 -1.4 -1.8313 -0.997 1271724 ChemDiv3_003443 Cc1cc(C)c2oc(nc2c1)c3cc(NC(=O)COc4ccccc4C)ccc3Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M12 compound treatment 1.004 -0.0232 -0.67 1.013 -0.0152 -0.45 -0.7937 -0.9809 3022874 ChemDiv3_003444 Cc1ccc(cc1)c2nn(cc2/C=C/3\SC(=S)N(CCCC(=O)O)C3=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M13 compound treatment 1.016 -0.0112 -0.32 1.009 -0.0192 -0.57 -0.6315 -0.9648 1216346 ChemDiv3_003445 CN(C)c1ccc2COC(=O)c3ccc(N(C)C)c1c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M14 compound treatment 1.003 -0.0242 -0.7 1.005 -0.0232 -0.69 -0.9814 -0.9999 1120750 ChemDiv3_003446 COc1ccc2N(C(=O)C)C(C)(C)c3ssc(=S)c3-c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M15 compound treatment 0.976 -0.0512 -1.48 0.978 -0.0502 -1.48 -2.0988 -1.0 3117899 ChemDiv3_003447 Oc1ccc(cc1)C2NC(=O)NC(O)(C2C(=O)c3ccccc3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M16 compound treatment 1.007 -0.0202 -0.59 1.007 -0.0212 -0.63 -0.8577 -0.9994 3022878 ChemDiv3_003448 Cc1cc(C)nc(NC(=N)NO)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M17 compound treatment 1.026 -0.00122 -0.04 1.014 -0.0142 -0.42 -0.3222 -0.7638 1151303 ChemDiv3_003449 Cc1ccc(cc1)C(=O)N2CCN(C2)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M18 compound treatment 1.006 -0.0212 -0.61 1.005 -0.0232 -0.69 -0.9199 -0.9985 1358369 ChemDiv3_003450 C(Oc1cccc2ccccc12)c3nc4ccccc4[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M19 compound treatment 1.017 -0.0102 -0.3 1.016 -0.0122 -0.36 -0.4647 -0.9951 3117900 ChemDiv3_003451 CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(c2C)c3cc(C)ccn3)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M20 compound treatment 0.997 -0.0302 -0.88 0.998 -0.0302 -0.89 -1.2506 -0.9999 1153417 ChemDiv3_003452 Cc1cc(c2cccs2)c3c(N)c(sc3n1)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M21 compound treatment 0.983 -0.0442 -1.28 0.979 -0.0492 -1.46 -1.9345 -0.998 1524326 ChemDiv3_003453 CC(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)C2C3CC4CC(C3)CC2C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M22 compound treatment 1.014 -0.0132 -0.38 1.008 -0.0202 -0.6 -0.6934 -0.9768 1630427 ChemDiv3_003454 CC(C)OC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M23 mock treatment 1.01 -0.0172 -0.5 1.015 -0.0132 -0.39 -0.629 -0.9927 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 M24 mock treatment 0.998 -0.0292 -0.85 1.002 -0.0262 -0.78 -1.1465 -0.999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N01 compound treatment 1.005 -0.0222 -0.64 1.007 -0.0212 -0.63 -0.8986 -0.9999 1576679 ChemDiv3_003455 C(Sc1nnc(c2ccccc2)c(n1)c3ccccc3)C4COc5ccccc5O4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N02 compound treatment 0.999 -0.0282 -0.82 0.994 -0.0342 -1.01 -1.2933 -0.9944 3117901 ChemDiv3_003456 CCOC(=O)c1c(C)oc-2c1/C(=C/Nc3cccc(C)n3)/C(=O)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N03 compound treatment 1.0 -0.0272 -0.79 1.004 -0.0242 -0.72 -1.0637 -0.9988 1365406 ChemDiv3_003457 Cc1cc(C)cc(Oc2coc3cc(OC(=O)C4CCCCC4)ccc3c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N04 compound treatment 1.022 -0.00522 -0.15 1.019 -0.00922 -0.27 -0.2996 -0.9613 3117902 ChemDiv3_003458 Clc1ccc(cc1)c2nc(/C=N/c3ccccc3)c4ccccn24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N05 compound treatment 1.019 -0.00822 -0.24 1.03 0.00178 0.05 -0.1311 -0.5376 3117903 ChemDiv3_003459 CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)/C(=C\c3cccs3)/SC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N06 compound treatment 0.989 -0.0382 -1.11 0.983 -0.0452 -1.34 -1.728 -0.9956 3117904 ChemDiv3_003460 COC(=O)C1C(C(=C(NC1=O)SCC(=O)NCc2ccccc2)C#N)c3ccccc3F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N07 compound treatment 1.009 -0.0182 -0.53 1.012 -0.0162 -0.48 -0.7122 -0.9989 3022943 ChemDiv3_003461 CC(N(Cc1ccccc1)C(=S)Nc2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N08 compound treatment 1.011 -0.0162 -0.47 1.012 -0.0162 -0.48 -0.6712 -0.9999 1661674 ChemDiv3_003462 Clc1ccccc1C(=O)Oc2c(CN3CCOCC3)cc(Cl)c4cccnc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N09 compound treatment 0.998 -0.0292 -0.85 1.008 -0.0202 -0.6 -1.0211 -0.9855 1593593 ChemDiv3_003463 CCC1=NC(N(O)C1(C)C)c2ccccc2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N10 compound treatment 0.951 -0.0762 -2.21 0.95 -0.0782 -2.31 -3.1961 -0.9997 1174273 ChemDiv3_003464 CN(Cc1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3nc4ccc5ccccc5c4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N11 compound treatment 0.984 -0.0432 -1.25 0.992 -0.0362 -1.07 -1.6423 -0.997 1124946 ChemDiv3_003465 CCC(=O)c1cn(c2ccccc12)S(=O)(=O)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N12 compound treatment 0.994 -0.0332 -0.96 0.997 -0.0312 -0.92 -1.3329 -0.9998 1374319 ChemDiv3_003466 CC(NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N13 compound treatment 1.037 0.00978 0.28 1.042 0.0138 0.41 0.4884 0.9842 1187438 ChemDiv3_003467 COc1ccc(OC)c(NC(=O)C2CCCNC2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N14 compound treatment 0.997 -0.0302 -0.88 1.0 -0.0282 -0.83 -1.2088 -0.9997 1589905 ChemDiv3_003468 CC1=C(C(c2ccc(O)cc2)c3c(N1)[nH]c(=O)[nH]c3=O)C(=O)OCC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N15 compound treatment 0.992 -0.0352 -1.02 0.998 -0.0302 -0.89 -1.353 -0.9978 1548201 ChemDiv3_003469 CC(Cn1nnc2ccccc12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N16 compound treatment 1.004 -0.0232 -0.67 1.003 -0.0252 -0.75 -1.0027 -0.9987 1198691 ChemDiv3_003470 CCOC(=O)c1c(NC(=O)CSc2nnc3ccccn23)scc1c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N17 compound treatment 1.019 -0.00822 -0.24 1.023 -0.00522 -0.15 -0.2774 -0.978 3117905 ChemDiv3_003471 CC1(C)CC(=O)C(=C2Nc3ccc(cc3N2)C(=O)c4ccccc4)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N18 compound treatment 0.979 -0.0482 -1.4 0.98 -0.0482 -1.43 -1.9955 -0.9999 1540618 ChemDiv3_003472 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)Nc2nc(cs2)c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N19 compound treatment 1.021 -0.00622 -0.18 1.032 0.00378 0.11 -0.0483 -0.2278 1143371 ChemDiv3_003473 CCn1c2ccccc2c3cc(NC(=O)COc4ccc(OC)cc4)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N20 compound treatment 1.024 -0.00322 -0.09 1.016 -0.0122 -0.36 -0.3214 -0.8614 1639873 ChemDiv3_003474 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NC2CC2)C3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N21 compound treatment 1.052 0.0248 0.72 1.062 0.0338 1.0 1.2137 0.9869 1383609 ChemDiv3_003475 CCC(CC)NCc1oc2ccc(Cl)cc2c1c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N22 compound treatment 1.024 -0.00322 -0.09 1.018 -0.0102 -0.3 -0.2796 -0.8841 3023230 ChemDiv3_003476 Cc1cccc(N(CC(=O)N)S(=O)(=O)C)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N23 mock treatment 1.003 -0.0242 -0.7 1.005 -0.0232 -0.69 -0.9814 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 N24 mock treatment 0.99 -0.0372 -1.08 0.99 -0.0382 -1.13 -1.5612 -0.9997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O01 compound treatment 1.026 -0.00122 -0.04 1.019 -0.00922 -0.27 -0.2177 -0.7921 3117906 ChemDiv3_003477 CCOc1ccc(/N=c/2\scc(c3ccc(cc3)S(=O)(=O)N4CCCC4)n2CC)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O02 compound treatment 1.029 0.00178 0.05 1.031 0.00278 0.08 0.0946 0.9748 3023233 ChemDiv3_003478 Nc1nc(cs1)C2(CC3CC4C2)CC(C3)CC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O03 compound treatment 1.014 -0.0132 -0.38 1.01 -0.0182 -0.54 -0.6516 -0.986 1118743 ChemDiv3_003479 Cc1ccc(cc1)N(C(=O)c2ccccc2C)S(=O)(=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O04 compound treatment 1.035 0.00778 0.23 1.035 0.00678 0.2 0.3011 0.9983 1346452 ChemDiv3_003480 COC(=O)CSc1nc2sc3CCCc3c2c(=O)n1c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O05 compound treatment 1.034 0.00678 0.2 1.033 0.00478 0.14 0.2388 0.987 3023234 ChemDiv3_003481 CC[n+]1c(/C=C/2\Sc3ccccc3N2CCO)sc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O06 compound treatment 1.012 -0.0152 -0.44 1.018 -0.0102 -0.3 -0.5253 -0.983 3022550 ChemDiv3_003482 Cc1cccc(/N=C/C=C2OC(C)(C)C(C)(C)O2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O07 compound treatment 1.031 0.00378 0.11 1.024 -0.00422 -0.12 -0.0108 -0.0649 1137751 ChemDiv3_003483 O=C(Nc1ccc(cc1)c2nc3ncccc3o2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O08 compound treatment 1.067 0.0398 1.15 1.074 0.0458 1.35 1.7718 0.9968 3117907 ChemDiv3_003484 CCc1cc2c(=O)n(c(SCC(=O)c3ccccc3)nc2s1)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O09 compound treatment 1.024 -0.00322 -0.09 1.025 -0.00322 -0.1 -0.1332 -0.9999 3117908 ChemDiv3_003485 CCc1cc2c(=O)n(CC=C)c(SCC(=O)c3ccc(C)cc3)nc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O10 compound treatment 1.01 -0.0172 -0.5 1.021 -0.00722 -0.21 -0.5035 -0.9283 1672847 ChemDiv3_003486 Cc1ccccc1NC(NC(=O)c2ccco2)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O11 compound treatment 1.021 -0.00622 -0.18 1.023 -0.00522 -0.15 -0.2365 -0.997 1634367 ChemDiv3_003487 O=C(Nc1cccc(c1)c2nc3ccccc3o2)c4cccc(OCc5ccccc5)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O12 compound treatment 1.008 -0.0192 -0.56 1.005 -0.0232 -0.69 -0.879 -0.9946 3022557 ChemDiv3_003488 COc1ccc(cc1)c2nn(cc2C=C3C(=O)CC(C)(C)CC3=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O13 compound treatment 1.007 -0.0202 -0.59 1.006 -0.0222 -0.66 -0.8786 -0.9984 3117909 ChemDiv3_003489 COc1ccc2NC(=O)/C(=N/O)/c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O14 compound treatment 1.015 -0.0122 -0.35 1.015 -0.0132 -0.39 -0.5266 -0.9988 1437035 ChemDiv3_003490 CC1CC(Nc2ccccc2C)c3cccc(C)c3N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O15 compound treatment 1.015 -0.0122 -0.35 1.016 -0.0122 -0.36 -0.5057 -0.9999 3022560 ChemDiv3_003491 CCCNc1nc2ccccn2c(=O)c1/C=C/3\SC(=S)NC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O16 compound treatment 1.028 7.81E-4 0.02 1.028 -2.19E-4 -0.01 0.0114 0.4855 3118060 ChemDiv3_003492 Nc1nnc(SCC(=O)N2c3ccccc3Sc4ccc(cc24)C(F)(F)F)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O17 compound treatment 1.037 0.00978 0.28 1.047 0.0188 0.56 0.593 0.9512 1398200 ChemDiv3_003493 CS(=O)(=O)N1CCN(C1)C(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O18 compound treatment 1.049 0.0218 0.63 1.058 0.0298 0.88 1.0687 0.9866 3118061 ChemDiv3_003494 NC1=C(C#N)C(c2c(nn(c2O1)c3ccccc3)c4ccccc4)c5ccc(Cl)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O19 compound treatment 1.022 -0.00522 -0.15 1.019 -0.00922 -0.27 -0.2996 -0.9613 3022592 ChemDiv3_003495 COC(=O)CSc1sc(=S)sc1SCC[n+]2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O20 compound treatment 1.29 0.263 7.61 1.277 0.249 7.36 10.5825 0.9999 3022594 ChemDiv3_003496 C/C(=N\n1c(C)cc(C)c(C#N)c1=O)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O21 compound treatment 1.037 0.00978 0.28 1.041 0.0128 0.38 0.4675 0.9899 1248779 ChemDiv3_003497 CC(NS(=O)(=O)c1c(C)cc(C)cc1C)C2C3CC4CC(C3)CC2C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O22 compound treatment 1.065 0.0378 1.09 1.072 0.0438 1.29 1.689 0.9965 1259680 ChemDiv3_003498 CC(C)C1CCC(C)CC1OC(=O)CN2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O23 mock treatment 1.014 -0.0132 -0.38 1.014 -0.0142 -0.42 -0.568 -0.9989 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 O24 mock treatment 1.016 -0.0112 -0.32 1.022 -0.00622 -0.18 -0.3598 -0.9637 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P01 compound treatment 1.003 -0.0242 -0.7 1.016 -0.0122 -0.36 -0.7514 -0.9524 1241332 ChemDiv3_003499 Brc1cccc(OCc2cccc(c2)C(=O)NN3CCOCC3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P02 compound treatment 1.025 -0.00222 -0.06 1.021 -0.00722 -0.21 -0.1964 -0.8809 3118062 ChemDiv3_003500 CCOC(=O)c1c(C)oc-2c1/C(=C/NC3CCCC3)/C(=O)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P03 compound treatment 1.003 -0.0242 -0.7 1.0 -0.0282 -0.83 -1.0859 -0.9963 1385678 ChemDiv3_003501 CCC(CC)c1nc(Nc2ccccc2)c3ccccc3n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P04 compound treatment 0.998 -0.0292 -0.85 0.997 -0.0312 -0.92 -1.251 -0.9991 3118063 ChemDiv3_003502 CCOC(=O)C(C)Sc1nnc(CNC(=O)C2(CC3CC4CC(C3)C2)C4)n1c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P05 compound treatment 1.011 -0.0162 -0.47 1.013 -0.0152 -0.45 -0.6503 -0.9998 3022600 ChemDiv3_003503 CCN(CCO)C(=O)CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P06 compound treatment 1.014 -0.0132 -0.38 1.005 -0.0232 -0.69 -0.7561 -0.962 1357646 ChemDiv3_003504 CCOc1ccc(NC(=O)CSC2=C(C#N)C(C3=C(CC(C)(C)CC3=O)N2)c4cccs4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P07 compound treatment 1.005 -0.0222 -0.64 1.008 -0.0202 -0.6 -0.8777 -0.9993 1315615 ChemDiv3_003505 Cc1ccc(NC(=S)N(CCc2ccccc2)Cc3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P08 compound treatment 1.014 -0.0132 -0.38 1.017 -0.0112 -0.33 -0.5052 -0.9974 3118064 ChemDiv3_003506 CN1CCN(CC1)/N=C/c2nc(c3ccccc3)n4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P09 compound treatment 1.024 -0.00322 -0.09 1.019 -0.00922 -0.27 -0.2586 -0.8979 3118065 ChemDiv3_003507 Fc1ccccc1CN2C(=O)S/C(=C\c3ccc4OCOc4c3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P10 compound treatment 1.019 -0.00822 -0.24 1.007 -0.0212 -0.63 -0.6119 -0.912 1727777 ChemDiv3_003508 CCCCN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc4ccccc4c3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P11 compound treatment 1.0 -0.0272 -0.79 1.006 -0.0222 -0.66 -1.0219 -0.9959 1646615 ChemDiv3_003509 Clc1ccc(cc1)C(=O)OCc2cccc(COC(=O)c3ccc(Cl)cc3)n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P12 compound treatment 1.023 -0.00422 -0.12 1.017 -0.0112 -0.33 -0.3209 -0.9079 1266949 ChemDiv3_003510 CC(NC(=O)CC1(CC2CC3CC(C2)C1)C3)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P13 compound treatment 1.087 0.0598 1.73 1.104 0.0758 2.24 2.8085 0.9919 1141185 ChemDiv3_003511 Cc1ccc2[nH]cc(CCNC(=O)c3ccccc3)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P14 compound treatment 0.975 -0.0522 -1.51 0.958 -0.0702 -2.08 -2.5374 -0.9879 1623182 ChemDiv3_003512 Cn1c(nc2ccccc12)c3cc4ccc(O)c(CN5CCCC5)c4oc3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P15 compound treatment 1.006 -0.0212 -0.61 1.012 -0.0162 -0.48 -0.7736 -0.9925 3022639 ChemDiv3_003513 CC(C)c1nccn1CCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P16 compound treatment 0.986 -0.0412 -1.19 0.984 -0.0442 -1.31 -1.7685 -0.999 1601523 ChemDiv3_003514 O=c1n(c2ccccc2)c(=S)[nH]c3scc(c4cccs4)c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P17 compound treatment 1.016 -0.0112 -0.32 1.015 -0.0132 -0.39 -0.5061 -0.9958 3118066 ChemDiv3_003515 CC1(C)CC(=O)C(=CN2CCOCC2)C(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P18 compound treatment 0.929 -0.0982 -2.84 0.929 -0.0992 -2.93 -4.0857 -0.9999 3022643 ChemDiv3_003516 Cc1cs/c(=N\C(=S)Nc2ccccc2)/n1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P19 compound treatment 1.026 -0.00122 -0.04 1.027 -0.00122 -0.04 -0.0504 -0.9999 3118067 ChemDiv3_003517 CC(=O)Nc1ccccc1NC(=O)c2ccco2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P20 compound treatment 0.858 -0.169 -4.9 0.849 -0.179 -5.3 -7.2122 -0.9992 1615664 ChemDiv3_003518 Brc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P21 compound treatment 1.019 -0.00822 -0.24 1.032 0.00378 0.11 -0.0893 -0.3394 1741961 ChemDiv3_003519 CCOC(=O)c1c(CSc2ccc(C)cc2)n(C)c3cc(Br)c(O)c(CN(C)C)c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P22 compound treatment 1.04 0.0128 0.37 1.041 0.0128 0.38 0.5289 0.9999 1152994 ChemDiv3_003520 COc1ccccc1N(CC(=O)NCC2CCCO2)S(=O)(=O)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P23 mock treatment 1.019 -0.00822 -0.24 1.024 -0.00422 -0.12 -0.2565 -0.9545 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2010 P24 mock treatment 1.015 -0.0122 -0.35 1.01 -0.0182 -0.54 -0.6311 -0.9792 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A01 compound treatment 1.001 -0.026 -0.75 0.997 -0.0349 -1.03 -1.2635 -0.988 3022646 ChemDiv3_003521 CCN(CC)C(=O)c1ccc(cc1)N(Cc2ccccc2Cl)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A02 compound treatment 0.999 -0.028 -0.81 1.004 -0.0279 -0.83 -1.1581 -1.0 3118068 ChemDiv3_003522 Fc1nc(F)c(F)c(NCCOC(=O)c2ccccc2)c1F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A03 compound treatment 0.996 -0.031 -0.9 0.997 -0.0349 -1.03 -1.3659 -0.9976 1531239 ChemDiv3_003523 S=C(NCc1ccccc1)N2CCN(CC2)c3nc(c4ccccc4)c5CCCCc5c3C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A04 compound treatment 0.995 -0.032 -0.93 1.008 -0.0239 -0.71 -1.1564 -0.9911 1218136 ChemDiv3_003524 C=CC[N+]1(CC#Cc2ccccc2)CCCCC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A05 compound treatment 1.055 0.028 0.81 1.053 0.0211 0.62 1.0131 0.9916 1599397 ChemDiv3_003525 COc1ccc(cc1)N2CCN(CC2)C(=S)Nc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A06 compound treatment 1.0 -0.027 -0.78 1.009 -0.0229 -0.68 -1.0331 -0.9974 3118069 ChemDiv3_003526 C[N+](C)(CCN1C(=O)C2C(C(C=CC2c3ccccc3)c4ccccc4)C1=O)CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A07 compound treatment 1.006 -0.021 -0.61 1.013 -0.0189 -0.56 -0.8266 -0.9991 3022686 ChemDiv3_003527 O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c3ccc4OCCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A08 compound treatment 0.984 -0.043 -1.25 0.988 -0.0439 -1.3 -1.7998 -0.9998 1787354 ChemDiv3_003528 CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A09 compound treatment 1.011 -0.016 -0.46 1.012 -0.0199 -0.59 -0.7451 -0.993 3118070 ChemDiv3_003529 COc1ccc(/N=C/2\C(=O)N3c4c2cc(C)cc4C(=CC3(C)C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A10 compound treatment 1.008 -0.019 -0.55 1.01 -0.0219 -0.65 -0.8483 -0.9967 3022689 ChemDiv3_003530 CCOC(=O)c1cc(C)sc1/N=C/C2C(=O)NC(=S)NC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A11 compound treatment 1.003 -0.024 -0.7 1.008 -0.0239 -0.71 -0.9925 -1.0 1683008 ChemDiv3_003531 CC(C)c1ccc(cc1)C2=C(O)C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A12 compound treatment 0.991 -0.036 -1.04 0.996 -0.0359 -1.06 -1.4892 -1.0 1674919 ChemDiv3_003532 O=C(Nc1ccccc1Sc2ncnc3sc4CCCCc4c23)c5cccs5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A13 compound treatment 1.005 -0.022 -0.64 1.004 -0.0279 -0.83 -1.0352 -0.9919 1258553 ChemDiv3_003533 CCc1ccc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A14 compound treatment 0.938 -0.089 -2.58 0.945 -0.0869 -2.57 -3.6407 -1.0 1515482 ChemDiv3_003534 ON(C1CC(=O)N(C1=O)c2ccc(cc2)N3CCOCC3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A15 compound treatment 0.997 -0.03 -0.87 1.004 -0.0279 -0.83 -1.199 -0.9997 1334348 ChemDiv3_003535 O=C(Oc1cccc(Nc2ncnc3ccccc23)c1)c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A16 compound treatment 1.043 0.016 0.46 1.055 0.0231 0.68 0.8092 0.9821 3118071 ChemDiv3_003536 O=C/1N(C2CCCCC2)C(=S)S\C1=C/c3c(NCC4CCCO4)nc5ccccn5c3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A17 compound treatment 0.976 -0.051 -1.48 0.989 -0.0429 -1.27 -1.9427 -0.9971 3022693 ChemDiv3_003537 CN1C(=O)NC(C2=C1CC(C)(C)CC2=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A18 compound treatment 0.995 -0.032 -0.93 1.005 -0.0269 -0.8 -1.2191 -0.9971 1298375 ChemDiv3_003538 CC(=O)N1CCN(CC1)C2C(NS(=O)(=O)c3ccc(Cl)cc3)c4cccc5cccc2c45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A19 compound treatment 1.023 -0.00403 -0.12 1.028 -0.00394 -0.12 -0.1649 -1.0 1788606 ChemDiv3_003539 Clc1ccc(CNC(=O)C2c3ccccc3Oc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A20 compound treatment 0.996 -0.031 -0.9 1.001 -0.0309 -0.91 -1.2822 -1.0 1872134 ChemDiv3_003540 Cc1ccc(Oc2cc(C#N)c3ccccc3n2)c(c1)n4nc5ccccc5n4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A21 compound treatment 1.003 -0.024 -0.7 1.006 -0.0259 -0.77 -1.0344 -0.9988 3022649 ChemDiv3_003541 CC(C)C(=O)N1N=C2CCCCC2C1(O)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A22 compound treatment 0.993 -0.034 -0.99 1.004 -0.0279 -0.83 -1.281 -0.9961 1372518 ChemDiv3_003542 CN(C)c1c2CCCc2c(C#N)c3nc4ccccc4n13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A23 mock treatment 1.077 0.05 1.45 1.076 0.0441 1.3 1.9445 0.9986 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 A24 mock treatment 0.992 -0.035 -1.01 1.002 -0.0299 -0.89 -1.3432 -0.9977 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B01 compound treatment 0.999 -0.028 -0.81 0.987 -0.0449 -1.33 -1.5135 -0.9721 1153643 ChemDiv3_003543 CC(C)c1cc(O)n2c3ccccc3nc2c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B02 compound treatment 0.997 -0.03 -0.87 0.994 -0.0379 -1.12 -1.4081 -0.9921 1581286 ChemDiv3_003544 Oc1ccc2c(=O)c(coc2c1CN(CC=C)CC=C)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B03 compound treatment 1.009 -0.018 -0.52 1.013 -0.0189 -0.56 -0.7651 -0.9994 1464911 ChemDiv3_003545 CC(C)Nc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B04 compound treatment 0.998 -0.029 -0.84 1.002 -0.0299 -0.89 -1.2204 -0.9997 3118203 ChemDiv3_003546 COC(=O)c1cccc(/N=C/2\NC(=N)c3ccccc23)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B05 compound treatment 1.003 -0.024 -0.7 1.001 -0.0309 -0.91 -1.1389 -0.9909 1377576 ChemDiv3_003547 COc1cc(NC(=O)COc2ccc(F)cc2)nc(OC)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B06 compound treatment 1.0 -0.027 -0.78 0.999 -0.0329 -0.97 -1.2421 -0.9941 3118204 ChemDiv3_003548 c1csc(c1)c2nc(no2)c3cccnc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B07 compound treatment 0.997 -0.03 -0.87 0.997 -0.0349 -1.03 -1.3454 -0.9963 3118205 ChemDiv3_003549 CC(/N=C/1\CCCc2ccccc2N1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B08 compound treatment 0.996 -0.031 -0.9 0.993 -0.0389 -1.15 -1.4495 -0.9925 1556957 ChemDiv3_003550 CC(C)CCNc1ncnc2c3cc4COC(C)(C)Cc4nc3sc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B09 compound treatment 1.016 -0.011 -0.32 1.02 -0.0119 -0.35 -0.4755 -0.9988 3022697 ChemDiv3_003551 OC(=O)c1ccc(COc2ccccc2/C=C/3\NC(=O)N(Cc4ccccc4)C3=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B10 compound treatment 0.967 -0.06 -1.74 0.971 -0.0609 -1.8 -2.5033 -0.9998 3118206 ChemDiv3_003552 Clc1cccc(c1)N/2CCC\C2=N/c3ccc(Br)cc3C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B11 compound treatment 1.001 -0.026 -0.75 1.01 -0.0219 -0.65 -0.9917 -0.9972 3022699 ChemDiv3_003553 FC(F)(F)C(NC(=O)OCc1ccccc1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B12 compound treatment 1.02 -0.00703 -0.2 1.022 -0.00994 -0.29 -0.3517 -0.984 3118207 ChemDiv3_003554 COc1cccc(c1)c2nc3cccc4cccc([nH]2)c43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B13 compound treatment 0.988 -0.039 -1.13 0.996 -0.0359 -1.06 -1.5506 -0.9995 1719480 ChemDiv3_003555 S=C(N1CCCC1)c2cn(CCOc3ccccc3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B14 compound treatment 0.99 -0.037 -1.07 1.007 -0.0249 -0.74 -1.2797 -0.9833 1867694 ChemDiv3_003556 OC(COc1ccc(NC(=O)c2ccccc2)cc1)Cn3c4ccccc4c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B15 compound treatment 1.002 -0.025 -0.72 1.009 -0.0229 -0.68 -0.9921 -0.9994 3118208 ChemDiv3_003557 Fc1ccc(cc1)C2CC(=O)C(=CNCCN3CCNCC3)C(=O)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B16 compound treatment 0.99 -0.037 -1.07 1.001 -0.0309 -0.91 -1.4051 -0.9969 3022706 ChemDiv3_003558 O=C1CC(CC(=O)C1=CNc2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B17 compound treatment 1.004 -0.023 -0.67 0.993 -0.0389 -1.15 -1.2857 -0.9663 3118209 ChemDiv3_003559 CC1(C)CC(=O)c2cc(C(=O)N3CC[N+](C)(C)CC3)c(=O)n(c4ccc(Cl)cc4)c2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B18 compound treatment 1.02 -0.00703 -0.2 1.023 -0.00894 -0.26 -0.3308 -0.9917 3022709 ChemDiv3_003560 CC1CCc2sc3ncnc(n4nc(C)cc4C)c3c2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B19 compound treatment 1.009 -0.018 -0.52 1.004 -0.0279 -0.83 -0.9533 -0.9756 3023520 ChemDiv3_003561 C=CCN1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3)c4ccccc24)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B20 compound treatment 0.999 -0.028 -0.81 1.003 -0.0289 -0.86 -1.179 -0.9997 3023521 ChemDiv3_003562 COc1cccc(c1)C(=O)CN2C3=NCCCN3c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B21 compound treatment 1.005 -0.022 -0.64 1.003 -0.0289 -0.86 -1.0561 -0.9896 1225293 ChemDiv3_003563 CCOC(=O)c1cnc2ccc(cc2c1N3CC4(C)CC3CC(C)(C)C4)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B22 compound treatment 0.995 -0.032 -0.93 0.994 -0.0379 -1.12 -1.4491 -0.9956 3023522 ChemDiv3_003564 Clc1snc(C(=O)Nc2ccc(I)cc2)c1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B23 mock treatment 1.014 -0.013 -0.38 1.023 -0.00894 -0.26 -0.4537 -0.9848 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 B24 mock treatment 1.007 -0.02 -0.58 1.017 -0.0149 -0.44 -0.7225 -0.9909 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C01 compound treatment 1.036 0.00897 0.26 1.033 0.00106 0.03 0.2059 0.787 3023523 ChemDiv3_003565 COc1ccccc1N(CC(=O)NC2CC3CCC2C3)S(=O)(=O)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C02 compound treatment 1.024 -0.00303 -0.09 1.029 -0.00294 -0.09 -0.1235 -1.0 1788093 ChemDiv3_003566 CC(CS(=O)(=O)c1ccc(C)cc1S(=O)(=O)CC(C)N2CCOCC2)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C03 compound treatment 1.031 0.00397 0.11 1.031 -9.35E-4 -0.03 0.0617 0.522 1737011 ChemDiv3_003567 CC(C)c1nc(N2CCN(CC2)C(=S)NC3CCCCC3)c(C#N)c4CCCCc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C04 compound treatment 1.026 -0.00103 -0.03 1.03 -0.00194 -0.06 -0.0616 -0.9542 3023524 ChemDiv3_003568 C[N+](C)(CC=C)CC#Cc1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C05 compound treatment 1.029 0.00197 0.06 1.038 0.00606 0.18 0.1671 0.8881 3118210 ChemDiv3_003569 COc1ccccc1N(CC(=O)Nc2ccccc2)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C06 compound treatment 1.05 0.023 0.67 1.048 0.0161 0.47 0.8062 0.9864 1699766 ChemDiv3_003570 C(C1OCc2ccccc2CO1)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C07 compound treatment 1.031 0.00397 0.11 1.034 0.00206 0.06 0.1244 0.9562 3118211 ChemDiv3_003571 CS(=O)(=O)N(Cc1ccccc1Cl)c2ccc(cc2)C(=O)Nc3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C08 compound treatment 1.01 -0.017 -0.49 1.016 -0.0159 -0.47 -0.6819 -0.9997 3118212 ChemDiv3_003572 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N2CCCCCC2)c3ccc(C)c(Cl)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C09 compound treatment 1.053 0.026 0.75 1.051 0.0191 0.56 0.9303 0.9899 1301544 ChemDiv3_003573 Cc1onc(c1C(=O)NC(C)(C)CO)c2c(Cl)cccc2Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C10 compound treatment 1.037 0.00997 0.29 1.045 0.0131 0.39 0.4773 0.9897 3118213 ChemDiv3_003574 CCOC(=O)c1cc(CC)sc1/N=C/C2C(=O)NC(=S)NC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C11 compound treatment 1.042 0.015 0.43 1.048 0.0161 0.47 0.6424 0.999 1870864 ChemDiv3_003575 CC(C)c1ccc(cc1)C2C3=C(NC4=C2C(=O)CCC4)c5ccccc5C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C12 compound treatment 1.057 0.03 0.87 1.068 0.0361 1.07 1.3677 0.9948 1314792 ChemDiv3_003576 Cc1cc(=O)oc2cc(OCC(=O)NCc3cccnc3)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C13 compound treatment 1.034 0.00697 0.2 1.03 -0.00194 -0.06 0.1022 0.4874 1372263 ChemDiv3_003577 CCc1ccc(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C14 compound treatment 0.951 -0.076 -2.2 0.958 -0.0739 -2.19 -3.1027 -1.0 3023525 ChemDiv3_003578 CC/N=C/1\SC(CC(=O)Nc2cccc(c2)C(=O)O)C(=O)N1CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C15 compound treatment 1.047 0.02 0.58 1.038 0.00606 0.18 0.5357 0.8848 3118214 ChemDiv3_003579 Cc1cccc(c1)c2nc(NCCCN3CCOCC3)c4ccccc4n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C16 compound treatment 1.017 -0.01 -0.29 1.026 -0.00594 -0.18 -0.3295 -0.9709 3023526 ChemDiv3_003580 CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccnc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C17 compound treatment 1.046 0.019 0.55 1.05 0.0181 0.53 0.7661 0.9999 1440542 ChemDiv3_003581 CCN1C(=O)NC(C2=C1CCCC2=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C18 compound treatment 0.888 -0.139 -4.03 0.903 -0.129 -3.81 -5.5427 -0.9996 1435850 ChemDiv3_003582 Cc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c3ccc(Cl)cc3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C19 compound treatment 1.029 0.00197 0.06 1.027 -0.00494 -0.15 -0.0629 -0.4014 1879422 ChemDiv3_003583 Cc1onc(c1C(=O)n2nnc3ccccc23)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C20 compound treatment 1.033 0.00597 0.17 1.043 0.0111 0.33 0.3535 0.9555 1610175 ChemDiv3_003584 Oc1cc2ccccc2cc1C(=O)OCC(=O)c3ccc(OCc4ccccc4)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C21 compound treatment 0.958 -0.069 -2.0 0.966 -0.0659 -1.95 -2.7921 -0.9999 3023527 ChemDiv3_003585 CCC1=NN(C(=O)COc2ccc(Cl)c(C)c2)C(O)(C1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C22 compound treatment 1.046 0.019 0.55 1.047 0.0151 0.45 0.7034 0.9946 1145589 ChemDiv3_003586 N#Cc1c2CCCc2c(NCCN3CCCCC3)n4c5ccccc5nc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C23 mock treatment 1.025 -0.00203 -0.06 1.027 -0.00494 -0.15 -0.1448 -0.9203 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 C24 mock treatment 1.044 0.017 0.49 1.049 0.0171 0.5 0.7042 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D01 compound treatment 1.017 -0.01 -0.29 1.014 -0.0179 -0.53 -0.5804 -0.9599 3023528 ChemDiv3_003587 CC(=O)NC1C(=O)SC1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D02 compound treatment 1.017 -0.01 -0.29 1.018 -0.0139 -0.41 -0.4968 -0.9854 1694459 ChemDiv3_003588 CC(C)OC(=O)C(C)Oc1ccc2c(=O)c(coc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D03 compound treatment 1.027 -3.23E-5 0.0 1.035 0.00306 0.09 0.0634 0.6998 3023529 ChemDiv3_003589 Oc1ccccc1/C=C/2\SC(=NC2=O)N3CCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D04 compound treatment 1.026 -0.00103 -0.03 1.029 -0.00294 -0.09 -0.0825 -0.8988 1245012 ChemDiv3_003590 Cc1cccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D05 compound treatment 1.015 -0.012 -0.35 1.023 -0.00894 -0.26 -0.4332 -0.9907 3023530 ChemDiv3_003591 Cc1ccc(C#N)c(SCc2nnc(o2)c3ccc(Cl)cc3)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D06 compound treatment 1.027 -3.23E-5 0.0 1.026 -0.00594 -0.18 -0.1248 -0.7109 1788087 ChemDiv3_003592 COc1cc2c(cc1NC(=O)Cc3ccccc3)oc4ccccc42 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D07 compound treatment 1.263 0.236 6.83 1.247 0.215 6.36 9.3285 0.9994 1917902 ChemDiv3_003593 OC(=O)CC/N=C\1/CCCc2ccccc2N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D08 compound treatment 1.052 0.025 0.72 1.054 0.0221 0.65 0.9726 0.9987 1538253 ChemDiv3_003594 CC(C)(C)Nc1ncnc2c3cc4COC(C)(C)Cc4nc3sc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D09 compound treatment 1.021 -0.00603 -0.17 1.028 -0.00394 -0.12 -0.2058 -0.9805 3023531 ChemDiv3_003595 Cc1ccccc1N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)N4CCOCC4)c5ccccc35)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D10 compound treatment 1.009 -0.018 -0.52 1.011 -0.0209 -0.62 -0.807 -0.9964 3118215 ChemDiv3_003596 Cc1sc2c(c1C)c(=O)n(c3ccccc3)c4nnc(SCC=C)n42 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D11 compound treatment 1.034 0.00697 0.2 1.037 0.00506 0.15 0.2486 0.9892 3023532 ChemDiv3_003597 FC(F)(F)C(NC(=O)OC1CCCC1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D12 compound treatment 1.035 0.00797 0.23 1.038 0.00606 0.18 0.29 0.9922 3118216 ChemDiv3_003598 Clc1ccc(/C=C/c2nc3cccc4cccc([nH]2)c43)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D13 compound treatment 1.037 0.00997 0.29 1.05 0.0181 0.53 0.5818 0.9583 1699463 ChemDiv3_003599 S=C(NCCc1c[nH]c2ccccc12)NCCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D14 compound treatment 1.022 -0.00503 -0.15 1.026 -0.00594 -0.18 -0.2271 -0.9957 3023533 ChemDiv3_003600 CCOC(=O)C1=C(O)CCN(C)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D15 compound treatment 1.017 -0.01 -0.29 1.026 -0.00594 -0.18 -0.3295 -0.9709 3118217 ChemDiv3_003601 Fc1ccc(cc1)C2CC(=O)C(=CNCCN3CCN(CC3)C(=S)Nc4ccccc4)C(=O)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D16 compound treatment 1.014 -0.013 -0.38 1.014 -0.0179 -0.53 -0.6418 -0.9861 3023534 ChemDiv3_003602 COC(=O)N(C)CC1Cc2ccccc2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D17 compound treatment 1.032 0.00497 0.14 1.038 0.00606 0.18 0.2285 0.994 3118351 ChemDiv3_003603 CC1(C)CC(=O)c2cc(C(=O)NCCC3=CCCCC3)c(=O)n(c4ccccc4)c2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D18 compound treatment 1.041 0.014 0.4 1.039 0.00706 0.21 0.4337 0.9527 1642387 ChemDiv3_003604 CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D19 compound treatment 1.021 -0.00603 -0.17 1.031 -9.35E-4 -0.03 -0.1431 -0.809 3118352 ChemDiv3_003605 CC(C)(C)N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3)c4ccccc24)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D20 compound treatment 1.035 0.00797 0.23 1.041 0.00906 0.27 0.3527 0.9972 3023535 ChemDiv3_003606 Clc1ccc(Cn2c(NC(=O)C3CCCCC3)nc4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D21 compound treatment 1.036 0.00897 0.26 1.043 0.0111 0.33 0.415 0.9935 1181214 ChemDiv3_003607 CCOC(=O)c1cnc2c(ccc3ccccc32)c1NC4CC(C)(C)NC(C)(C)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D22 compound treatment 1.037 0.00997 0.29 1.036 0.00406 0.12 0.2891 0.9246 3023536 ChemDiv3_003608 Cc1ccc(NCc2ccc(Cl)nc2)c(NCc3ccc(Cl)nc3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D23 mock treatment 1.031 0.00397 0.11 1.039 0.00706 0.21 0.2289 0.9604 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 D24 mock treatment 1.043 0.016 0.46 1.053 0.0211 0.62 0.7674 0.9893 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E01 compound treatment 1.032 0.00497 0.14 1.033 0.00106 0.03 0.124 0.8419 3118353 ChemDiv3_003609 CS(=O)(=O)N(CC(=O)NCc1ccccc1)c2cc(ccc2Cl)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E02 compound treatment 1.025 -0.00203 -0.06 1.034 0.00206 0.06 0.0015 0.0182 3023537 ChemDiv3_003610 C=CCN1C(=O)/C(=C/c2c(nc3ccccn3c2=O)N4CCCCC4)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E03 compound treatment 1.032 0.00497 0.14 1.033 0.00106 0.03 0.124 0.8419 3118354 ChemDiv3_003611 CCCCc1nc2sc3c(Cl)ncnc3c2c4CC(C)(C)OCc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E04 compound treatment 1.032 0.00497 0.14 1.029 -0.00294 -0.09 0.0404 0.2402 1442521 ChemDiv3_003612 C=CC[N+]1(CC#Cc2ccccc2)CCOCC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E05 compound treatment 1.149 0.122 3.53 1.143 0.111 3.28 4.8197 0.9993 1231207 ChemDiv3_003613 COc1ccccc1N(CC(=O)N2CCN(CC2)c3ccccc3OC)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E06 compound treatment 1.025 -0.00203 -0.06 1.031 -9.35E-4 -0.03 -0.0612 -0.9407 1028555 ChemDiv3_003614 O=C1CCN(Cc2ccccc2)C(=O)N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E07 compound treatment 1.025 -0.00203 -0.06 1.024 -0.00794 -0.23 -0.2075 -0.8579 3118355 ChemDiv3_003615 CN1C(=O)/C(=C/c2c(nc3c(C)cccn3c2=O)N4CCCC4)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E08 compound treatment 1.041 0.014 0.4 1.042 0.0101 0.3 0.4964 0.9886 1863421 ChemDiv3_003616 O=C(NCCc1ccccc1)c2cc3c(ccc4ccccc34)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E09 compound treatment 1.048 0.021 0.61 1.048 0.0161 0.47 0.7652 0.9926 3023538 ChemDiv3_003617 Cc1cc2nc(NC3=NC(O)C=C(CSc4nc5ccccc5[nH]4)N3)nc(C)c2cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E10 compound treatment 1.025 -0.00203 -0.06 1.035 0.00306 0.09 0.0225 0.2078 3118356 ChemDiv3_003618 CCOC(=O)c1c(/N=C/C2C(=O)NC(=S)NC2=O)scc1c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E11 compound treatment 1.022 -0.00503 -0.15 1.023 -0.00894 -0.26 -0.2899 -0.9607 1870801 ChemDiv3_003619 Cc1ccc(cc1Cl)n2c(=O)oc3ccc(Cl)cc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E12 compound treatment 1.08 0.053 1.53 1.096 0.0641 1.89 2.4241 0.9945 3118357 ChemDiv3_003620 CC(Oc1ccc(Cl)cc1Cl)C(=O)NC2=NN(C(=O)C2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E13 compound treatment 1.046 0.019 0.55 1.049 0.0171 0.5 0.7452 0.9991 1610886 ChemDiv3_003621 CCc1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E14 compound treatment 1.033 0.00597 0.17 1.043 0.0111 0.33 0.3535 0.9555 3023539 ChemDiv3_003622 Cc1ccc(NC(=O)CC2Sc3ccc(cc3NC2=O)C(F)(F)F)c(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E15 compound treatment 1.028 9.68E-4 0.03 1.031 -9.35E-4 -0.03 3.0E-4 0.0066 3118358 ChemDiv3_003623 COc1cc(/C=N\c2ccc(O)cc2)ccc1OC(=O)CC3SC(=O)NC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E16 compound treatment 1.047 0.02 0.58 1.052 0.0201 0.59 0.8284 0.9999 3118359 ChemDiv3_003624 O=C(NC(Nc1sc2CCCCc2c1C#N)C(=O)c3cccs3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E17 compound treatment 1.018 -0.00903 -0.26 1.018 -0.0139 -0.41 -0.4763 -0.976 1490011 ChemDiv3_003625 Cc1ccc(CCP(=O)(O)CCC(=O)O)cn1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E18 compound treatment 1.204 0.177 5.13 1.202 0.17 5.03 7.1795 1.0 3023540 ChemDiv3_003626 OC(=O)c1c(F)c(F)cc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E19 compound treatment 1.033 0.00597 0.17 1.031 -9.35E-4 -0.03 0.1027 0.5865 1413652 ChemDiv3_003627 Cc1onc(c1C(=O)NCc2ccc3OCOc3c2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E20 compound treatment 1.051 0.024 0.69 1.046 0.0141 0.42 0.7849 0.97 3023541 ChemDiv3_003628 N#Cc1cc2N(Cc3ccccc3)CCN(Cc4ccccc4)c2cc1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E21 compound treatment 1.009 -0.018 -0.52 1.017 -0.0149 -0.44 -0.6815 -0.9965 3118360 ChemDiv3_003629 Clc1ccc(cc1)C(=O)/C=C/N2CCOCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E22 compound treatment 1.048 0.021 0.61 1.052 0.0201 0.59 0.8489 0.9999 1455387 ChemDiv3_003630 CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc4ccncc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E23 mock treatment 1.03 0.00297 0.09 1.024 -0.00794 -0.23 -0.1051 -0.4207 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 E24 mock treatment 1.23 0.203 5.88 1.259 0.227 6.71 8.9036 0.9978 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F01 compound treatment 1.03 0.00297 0.09 1.033 0.00106 0.03 0.083 0.9071 1286483 ChemDiv3_003631 O=c1n(CN2CCCCC2)nc3-c4ccccc4-c5cccc1c53 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F02 compound treatment 1.022 -0.00503 -0.15 1.021 -0.0109 -0.32 -0.3317 -0.9352 1204240 ChemDiv3_003632 CC1CN(Cc2c(O)ccc3c(=O)c(coc23)c4ccccc4)CC(C)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F03 compound treatment 1.026 -0.00103 -0.03 1.034 0.00206 0.06 0.022 0.324 3023542 ChemDiv3_003633 CCC1(C)NN(C(=S)N1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F04 compound treatment 1.023 -0.00403 -0.12 1.024 -0.00794 -0.23 -0.2485 -0.9481 3118361 ChemDiv3_003634 C1C(Nc2nnnn2C1c3cccs3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F05 compound treatment 1.032 0.00497 0.14 1.033 0.00106 0.03 0.124 0.8419 3118362 ChemDiv3_003635 NC(=O)C1CCN(CC1)C(=O)/C(=C/c2ccco2)/NC(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F06 compound treatment 1.013 -0.014 -0.41 1.016 -0.0159 -0.47 -0.6205 -0.9973 1239837 ChemDiv3_003636 O=C(CCc1ccccc1)NCc2ccccn2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F07 compound treatment 1.13 0.103 2.98 1.127 0.0951 2.81 4.0961 0.9996 3023543 ChemDiv3_003637 C(/N=C/1\CCCCN1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F08 compound treatment 1.025 -0.00203 -0.06 1.034 0.00206 0.06 0.0015 0.0182 3118363 ChemDiv3_003638 CC1C(NC(C(C)C1=O)c2ccccc2C)c3ccccc3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F09 compound treatment 1.024 -0.00303 -0.09 1.026 -0.00594 -0.18 -0.1862 -0.9488 3118364 ChemDiv3_003639 C=CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c4ccccc24)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F10 compound treatment 1.034 0.00697 0.2 1.023 -0.00894 -0.26 -0.0441 -0.1327 3023595 ChemDiv3_003640 CC(C)CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F11 compound treatment 1.026 -0.00103 -0.03 1.031 -9.35E-4 -0.03 -0.0407 -0.9992 3023596 ChemDiv3_003641 Cc1cccnc1NC(=O)NC(C)(C(F)(F)F)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F12 compound treatment 1.037 0.00997 0.29 1.035 0.00306 0.09 0.2682 0.8864 3023597 ChemDiv3_003642 C=CCn1c(=O)n(CC=C)c2cccc3cccc1c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F13 compound treatment 1.032 0.00497 0.14 1.04 0.00806 0.24 0.2703 0.9707 1391530 ChemDiv3_003643 COc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F14 compound treatment 1.029 0.00197 0.06 1.034 0.00206 0.06 0.0835 0.9994 3023598 ChemDiv3_003644 CC(=O)NS(=O)(=O)c1ccc(cc1)c2ccc(/C=C/3\C(=C(C#N)C(=O)N(CCCO)C3=O)C)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F15 compound treatment 1.037 0.00997 0.29 1.046 0.0141 0.42 0.4982 0.9841 3023599 ChemDiv3_003645 Cc1cccc(NC(=S)N(CCCNC2=CC(=O)CC(C)(C)C2)C3CCCCC3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F16 compound treatment 1.018 -0.00903 -0.26 1.026 -0.00594 -0.18 -0.3091 -0.9811 1521665 ChemDiv3_003646 Cc1ccc(OCCN2CCN(CC2)c3cc(C)c(C#N)c4nc5ccccc5n34)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F17 compound treatment 1.028 9.68E-4 0.03 1.041 0.00906 0.27 0.2093 0.7768 3023600 ChemDiv3_003647 CCN(CC)CC#CCN1c2ccccc2Sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F18 compound treatment 1.049 0.022 0.64 1.052 0.0201 0.59 0.8693 0.9994 1373357 ChemDiv3_003648 CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN4CCOCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F19 compound treatment 1.028 9.68E-4 0.03 1.036 0.00406 0.12 0.1048 0.8492 3023601 ChemDiv3_003649 CCOC(=O)c1cc(c2ccccc2)n(n1)c3ccccc3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F20 compound treatment 1.046 0.019 0.55 1.044 0.0121 0.36 0.6407 0.9781 3118365 ChemDiv3_003650 O=C(Nc1nc2ccccc2n1CCN3CCOCC3)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F21 compound treatment 1.029 0.00197 0.06 1.036 0.00406 0.12 0.1253 0.9419 3023602 ChemDiv3_003651 CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F22 compound treatment 1.033 0.00597 0.17 1.032 6.45E-5 0.0 0.1236 0.7149 1866848 ChemDiv3_003652 CCOC(=O)CN(C1SC(=O)N(Cc2cccc(c2)C(=O)O)C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F23 mock treatment 1.038 0.011 0.32 1.046 0.0141 0.42 0.5186 0.9912 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 F24 mock treatment 1.03 0.00297 0.09 1.034 0.00206 0.06 0.1039 0.9859 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G01 compound treatment 1.019 -0.00803 -0.23 1.024 -0.00794 -0.23 -0.3304 -1.0 3118366 ChemDiv3_003653 COC(=O)C1=CN(C=C(C1c2ccc(F)cc2)C(=O)OC)c3cccc(c3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G02 compound treatment 1.01 -0.017 -0.49 1.012 -0.0199 -0.59 -0.7656 -0.9961 3023603 ChemDiv3_003654 CCNc1nc2ccccn2c(=O)c1/C=C/3\SC(=S)N(CC=C)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G03 compound treatment 1.013 -0.014 -0.41 1.012 -0.0199 -0.59 -0.7041 -0.9835 3118367 ChemDiv3_003655 CCCc1nc2sc3c(Cl)ncnc3c2c4CCCCc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G04 compound treatment 1.031 0.00397 0.11 1.032 6.45E-5 0.0 0.0826 0.7187 3023604 ChemDiv3_003656 COCN(C#N)c1nc(nc(n1)N(C)C)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G05 compound treatment 1.032 0.00497 0.14 1.03 -0.00194 -0.06 0.0613 0.3957 3118368 ChemDiv3_003657 COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G06 compound treatment 1.023 -0.00403 -0.12 1.034 0.00206 0.06 -0.0394 -0.2991 3023605 ChemDiv3_003658 COc1ccc(NC(=O)CSc2nc(cc(=O)[nH]2)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G07 compound treatment 1.024 -0.00303 -0.09 1.026 -0.00594 -0.18 -0.1862 -0.9488 3118494 ChemDiv3_003659 CN(C)c1nc2ccccn2c(=O)c1/C=C/3\SC(=S)N(C)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G08 compound treatment 1.003 -0.024 -0.7 1.01 -0.0219 -0.65 -0.9507 -0.9994 3023606 ChemDiv3_003660 O=C1N=C(SC1=C2CCCC2)N3CCOCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G09 compound treatment 1.038 0.011 0.32 1.037 0.00506 0.15 0.3305 0.9411 3118495 ChemDiv3_003661 NC(=N)/N=c\1/[nH]c(=O)c2ccccc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G10 compound treatment 1.009 -0.018 -0.52 1.016 -0.0159 -0.47 -0.7024 -0.9987 3023607 ChemDiv3_003662 CCOC(=O)c1cc(C)sc1/N=C/C2C(=O)CCCC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G11 compound treatment 1.024 -0.00303 -0.09 1.025 -0.00694 -0.21 -0.2071 -0.9284 3118496 ChemDiv3_003663 CCc1ccc(cc1)C2CC(=NN2C(=O)CCCC(=O)O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G12 compound treatment 1.022 -0.00503 -0.15 1.031 -9.35E-4 -0.03 -0.1226 -0.8266 1155587 ChemDiv3_003664 COC1(OC(=O)c2ccccc21)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G13 compound treatment 1.038 0.011 0.32 1.04 0.00806 0.24 0.3932 0.99 1357257 ChemDiv3_003665 CCc1ccc(Oc2coc3cc(OC(=O)C4CCCCC4)ccc3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G14 compound treatment 1.024 -0.00303 -0.09 1.034 0.00206 0.06 -0.0189 -0.177 1610546 ChemDiv3_003666 OC(=O)c1cccnc1SC2CC(=O)N(Cc3ccccc3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G15 compound treatment 1.025 -0.00203 -0.06 1.032 6.45E-5 0.0 -0.0403 -0.6838 1448429 ChemDiv3_003667 CCOC(=O)Nc1nc2ccc(OC)cc2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G16 compound treatment 1.234 0.207 5.99 1.232 0.2 5.92 8.421 1.0 1873982 ChemDiv3_003668 CC(C)OC(=O)C1=C(C)NC(=O)NC1c2cn(nc2c3ccc(OC(C)C)cc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G17 compound treatment 1.029 0.00197 0.06 1.028 -0.00394 -0.12 -0.042 -0.324 1605638 ChemDiv3_003669 CN(CP(=O)(O)CN1CCCCC1)C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G18 compound treatment 1.033 0.00597 0.17 1.033 0.00106 0.03 0.1445 0.8224 1298680 ChemDiv3_003670 CCN1C2C(C(=NC2Nc3ccccc13)OC)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G19 compound treatment 1.036 0.00897 0.26 1.045 0.0131 0.39 0.4568 0.9813 3023608 ChemDiv3_003671 CC(C)(C)C(=O)NC1CCSC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G20 compound treatment 1.018 -0.00903 -0.26 1.023 -0.00894 -0.26 -0.3718 -1.0 3023609 ChemDiv3_003672 CN/1C(=O)CS\C1=N\c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G21 compound treatment 1.024 -0.00303 -0.09 1.025 -0.00694 -0.21 -0.2071 -0.9284 3118497 ChemDiv3_003673 CCCCC1=NN(C(=O)C2CC2)C(O)(C1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G22 compound treatment 1.068 0.041 1.19 1.043 0.0111 0.33 1.0703 0.8696 1600165 ChemDiv3_003674 CCc1c(C)c(C#N)c2nc3ccccc3n2c1N4CCN(CCO)CC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G23 mock treatment 1.019 -0.00803 -0.23 1.029 -0.00294 -0.09 -0.2259 -0.9097 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 G24 mock treatment 1.027 -3.23E-5 0.0 1.03 -0.00194 -0.06 -0.0411 -0.7186 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H01 compound treatment 1.002 -0.025 -0.72 1.004 -0.0279 -0.83 -1.0967 -0.9979 3118498 ChemDiv3_003675 CC(C)(C)C1=CC(=O)c2c(O)c(ccc2C1=O)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H02 compound treatment 1.023 -0.00403 -0.12 1.027 -0.00494 -0.15 -0.1858 -0.9939 1535282 ChemDiv3_003676 CC(C)COC(=O)C(C)Oc1ccc2c(=O)c(coc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H03 compound treatment 1.052 0.025 0.72 1.16 0.128 3.79 3.1887 0.8272 1658754 ChemDiv3_003677 Cc1ccc(cc1)N2CCN(C2c3cccs3)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H04 compound treatment 1.016 -0.011 -0.32 1.016 -0.0159 -0.47 -0.5591 -0.9821 1871037 ChemDiv3_003678 CCc1ccc(cc1)N2C(=O)CC(Sc3ccccn3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H05 compound treatment 1.025 -0.00203 -0.06 1.028 -0.00394 -0.12 -0.1239 -0.9501 3118499 ChemDiv3_003679 Brc1ccc(NC(=O)CC2OCCN(Cc3ccccc3)C2=O)c(Br)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H06 compound treatment 1.03 0.00297 0.09 1.03 -0.00194 -0.06 0.0203 0.1967 1785758 ChemDiv3_003680 COC(=O)c1cn(C(=O)CCc2ccccc2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H07 compound treatment 1.083 0.056 1.62 1.09 0.0581 1.72 2.3601 0.9996 1468921 ChemDiv3_003681 Cc1cc(C)c2c(N)c(sc2n1)C(=O)Nc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H08 compound treatment 1.017 -0.01 -0.29 1.023 -0.00894 -0.26 -0.3923 -0.9989 3118500 ChemDiv3_003682 O=C(Nc1c2CCCc2nc3CCCCc13)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H09 compound treatment 0.997 -0.03 -0.87 1.01 -0.0219 -0.65 -1.0736 -0.9896 3118501 ChemDiv3_003683 Cc1ccc(CN2C(=O)N/C(=C\c3cn(CC(=O)N4CCOCC4)c5ccccc35)/C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H10 compound treatment 1.021 -0.00603 -0.17 1.031 -9.35E-4 -0.03 -0.1431 -0.809 3023610 ChemDiv3_003684 CSc1nc2sc3CCCc3c2c(=O)n1CC(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H11 compound treatment 0.915 -0.112 -3.24 0.944 -0.0879 -2.6 -4.1327 -0.994 3023611 ChemDiv3_003685 Cc1ccc(C)c(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H12 compound treatment 1.025 -0.00203 -0.06 1.036 0.00406 0.12 0.0434 0.324 3118502 ChemDiv3_003686 O=c1n(Cc2ccccc2)c3cccc4cccc(n1Cc5ccccc5)c43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H13 compound treatment 1.02 -0.00703 -0.2 1.035 0.00306 0.09 -0.0799 -0.3586 1457236 ChemDiv3_003687 CCOC(=O)c1ccc(NC(=S)NN2CCN(C)CC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H14 compound treatment 1.024 -0.00303 -0.09 1.038 0.00606 0.18 0.0647 0.324 1170967 ChemDiv3_003688 CCOC1(NC(=O)c2ccccc2)C(=CC(=O)C=C1C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H15 compound treatment 1.115 0.088 2.55 1.113 0.0811 2.4 3.4962 0.9995 1870851 ChemDiv3_003689 Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2CC=C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H16 compound treatment 1.028 9.68E-4 0.03 1.031 -9.35E-4 -0.03 3.0E-4 0.0066 1633513 ChemDiv3_003690 CCc1c(C)c(C#N)c2nc3ccccc3n2c1N4CCN(Cc5cc(Cl)ccc5OC)CC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H17 compound treatment 1.005 -0.022 -0.64 1.014 -0.0179 -0.53 -0.8262 -0.9958 1255680 ChemDiv3_003691 CC(C)(C)NC(=O)c1cccc(NC(=O)CCC(=O)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H18 compound treatment 1.035 0.00797 0.23 1.04 0.00806 0.24 0.3318 0.9999 3023612 ChemDiv3_003692 Cc1cc(o[n+]1C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H19 compound treatment 1.078 0.051 1.48 1.041 0.00906 0.27 1.2332 0.8221 3118503 ChemDiv3_003693 CCCOc1ccc(/C=C/C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ncccn3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H20 compound treatment 1.03 0.00297 0.09 1.041 0.00906 0.27 0.2503 0.8893 3023613 ChemDiv3_003694 CCOc1cccc(OCC)c2c(C)[o+]c(C)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H21 compound treatment 1.012 -0.015 -0.44 1.016 -0.0159 -0.47 -0.641 -0.9992 3118504 ChemDiv3_003695 CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)c4cccnc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H22 compound treatment 1.041 0.014 0.4 1.049 0.0171 0.5 0.6428 0.994 3023614 ChemDiv3_003696 CCCCS(=O)(=O)N=C1NCN(CN1)C2CCN(Cc3ccccc3)CC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H23 mock treatment 1.038 0.011 0.32 1.043 0.0111 0.33 0.4559 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 H24 mock treatment 1.058 0.031 0.9 1.073 0.0411 1.21 1.4927 0.9889 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I01 compound treatment 1.01 -0.017 -0.49 1.01 -0.0219 -0.65 -0.8074 -0.9909 3118505 ChemDiv3_003697 COC(=O)C1=CN(C=C(C1c2cccc(O)c2)C(=O)OC)c3ccc(F)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I02 compound treatment 1.022 -0.00503 -0.15 1.027 -0.00494 -0.15 -0.2062 -1.0 3023615 ChemDiv3_003698 CNc1nc2ccccn2c(=O)c1/C=C/3\SC(=S)N(C)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I03 compound treatment 1.015 -0.012 -0.35 1.007 -0.0249 -0.74 -0.7677 -0.9415 1485518 ChemDiv3_003699 CCCc1nc2sc3c(ncnc3c2c4CCCCc14)N5CCCC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I04 compound treatment 1.041 0.014 0.4 1.036 0.00406 0.12 0.371 0.8792 1560479 ChemDiv3_003700 CN(C)C(=S)N(C#N)c1nc(nc(n1)N(C)C)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I05 compound treatment 1.049 0.022 0.64 1.048 0.0161 0.47 0.7857 0.9896 3118506 ChemDiv3_003701 CCOc1ccc(cc1)N(C(C)C(=O)NCc2ccc(C)cc2)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I06 compound treatment 1.052 0.025 0.72 1.052 0.0201 0.59 0.9308 0.9952 3118507 ChemDiv3_003702 COc1cccc(OCCSc2nc(cc(=O)[nH]2)c3ccccc3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I07 compound treatment 1.018 -0.00903 -0.26 1.019 -0.0129 -0.38 -0.4554 -0.9828 3023616 ChemDiv3_003703 C=CCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc4ccccn4c2=O)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I08 compound treatment 1.02 -0.00703 -0.2 1.028 -0.00394 -0.12 -0.2263 -0.9647 3118508 ChemDiv3_003704 CCOc1ccc(cc1)c2n[nH]c(=S)n2C3CCCC=C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I09 compound treatment 1.015 -0.012 -0.35 1.021 -0.0109 -0.32 -0.475 -0.9993 3023617 ChemDiv3_003705 CSc1nc(c2ccccc2)c3cc(Cl)ccc3n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I10 compound treatment 1.011 -0.016 -0.46 1.015 -0.0169 -0.5 -0.6824 -0.9993 3118509 ChemDiv3_003706 CCOC(=O)c1c(CC(C)C)csc1/N=C/C2C(=O)CCCC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I11 compound treatment 1.015 -0.012 -0.35 1.019 -0.0129 -0.38 -0.5168 -0.9989 1633966 ChemDiv3_003707 CCCOc1ccc(cc1)C(=O)Nc2ccc(NC(=O)c3ccco3)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I12 compound treatment 1.006 -0.021 -0.61 1.011 -0.0209 -0.62 -0.8684 -1.0 1787094 ChemDiv3_003708 CCOC(=O)C(C1CCCCC1)C(=O)Nc2cccc(C)n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I13 compound treatment 1.014 -0.013 -0.38 1.012 -0.0199 -0.59 -0.6837 -0.9768 1440221 ChemDiv3_003709 CCc1ccc(Oc2coc3cc(OC(C)C(=O)OC(C)C)ccc3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I14 compound treatment 1.0 -0.027 -0.78 1.011 -0.0209 -0.62 -0.9913 -0.9932 3023618 ChemDiv3_003710 CCSc1nc(nc2CCCCc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I15 compound treatment 0.906 -0.121 -3.51 0.94 -0.0919 -2.72 -4.4006 -0.9921 1433865 ChemDiv3_003711 Clc1ccc(cc1)c2nc(C#N)c(NCCc3ccccc3)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I16 compound treatment 1.03 0.00297 0.09 1.038 0.00606 0.18 0.1876 0.9433 3118635 ChemDiv3_003712 O=C1NC(=O)C(=Cc2cn(CCOc3ccc4OCOc4c3)c5ccccc25)C(=O)N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I17 compound treatment 1.016 -0.011 -0.32 1.02 -0.0119 -0.35 -0.4755 -0.9988 1334972 ChemDiv3_003713 NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)C4CCC=CC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I18 compound treatment 1.07 0.043 1.24 1.084 0.0521 1.54 1.9684 0.9944 3118636 ChemDiv3_003714 COC(=O)C1=C(C)N(/C(=C/c2ccc(OC)cc2)/C1=O)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I19 compound treatment 1.023 -0.00403 -0.12 1.018 -0.0139 -0.41 -0.3739 -0.8731 3023619 ChemDiv3_003715 Cc1cc(Cl)ccc1OCCCC(=O)NC2CCSC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I20 compound treatment 0.996 -0.031 -0.9 1.011 -0.0209 -0.62 -1.0732 -0.9834 1863329 ChemDiv3_003716 COc1ccc(CCCc2nnc(SCC(=O)NN)o2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I21 compound treatment 1.013 -0.014 -0.41 1.016 -0.0159 -0.47 -0.6205 -0.9973 3023620 ChemDiv3_003717 OC1(CC(=NN1C(=O)C2CC2)C3CCCCC3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I22 compound treatment 1.017 -0.01 -0.29 1.019 -0.0129 -0.38 -0.4759 -0.9908 1139133 ChemDiv3_003718 CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I23 mock treatment 1.031 0.00397 0.11 1.025 -0.00694 -0.21 -0.0637 -0.2712 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 I24 mock treatment 1.005 -0.022 -0.64 1.012 -0.0199 -0.59 -0.868 -0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J01 compound treatment 1.003 -0.024 -0.7 1.011 -0.0209 -0.62 -0.9298 -0.9983 1498091 ChemDiv3_003719 OC(=O)c1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J02 compound treatment 1.016 -0.011 -0.32 1.017 -0.0149 -0.44 -0.5382 -0.9874 1326070 ChemDiv3_003720 O=C(COc1ccc2c(=O)c(coc2c1)c3ccccc3)OC4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J03 compound treatment 1.022 -0.00503 -0.15 1.026 -0.00594 -0.18 -0.2271 -0.9957 3023670 ChemDiv3_003721 Clc1ccc(cc1)c2nc3SCCCn3c(=O)c2C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J04 compound treatment 1.018 -0.00903 -0.26 1.017 -0.0149 -0.44 -0.4972 -0.9688 1870982 ChemDiv3_003722 Cc1nc(=S)sn1c2nc(Nc3ccc(C)cc3)nc(Nc4ccc(C)cc4)n2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J05 compound treatment 1.021 -0.00603 -0.17 1.018 -0.0139 -0.41 -0.4149 -0.927 1743126 ChemDiv3_003723 Cc1ccc(C)n1c2sc3CCCCc3c2C(=O)Nc4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J06 compound treatment 1.009 -0.018 -0.52 1.01 -0.0219 -0.65 -0.8279 -0.9942 1262325 ChemDiv3_003724 CCOc1ccc(Nc2nc(nc(n2)N3CCCCC3)N4CCCCC4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J07 compound treatment 1.026 -0.00103 -0.03 1.03 -0.00194 -0.06 -0.0616 -0.9542 3023671 ChemDiv3_003725 Cc1cc(C)c2c(n1)sc3c(=O)n(Cc4ccccc4Cl)nnc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J08 compound treatment 1.032 0.00497 0.14 1.026 -0.00594 -0.18 -0.0224 -0.0985 1740377 ChemDiv3_003726 CCCCC(CC)C(=O)Nc1c2CCCc2nc3CCCCc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J09 compound treatment 0.994 -0.033 -0.96 0.999 -0.0329 -0.97 -1.365 -1.0 3023672 ChemDiv3_003727 Cc1cc(/C=C\2/SC(=O)N(C2=O)c3ccccc3)c(C)n1c4cccnc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J10 compound treatment 1.019 -0.00803 -0.23 1.016 -0.0159 -0.47 -0.4976 -0.9471 1371047 ChemDiv3_003728 CC1CCc2c(C1)sc3nc(NN)n(C)c(=O)c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J11 compound treatment 1.004 -0.023 -0.67 1.016 -0.0159 -0.47 -0.8048 -0.9855 3023673 ChemDiv3_003729 CC(NC(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J12 compound treatment 1.016 -0.011 -0.32 1.017 -0.0149 -0.44 -0.5382 -0.9874 3118637 ChemDiv3_003730 CC1=CC(c2ccc(Cl)cc2)n3nc(NC(=O)CCCC(=O)O)nc3N1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J13 compound treatment 1.031 0.00397 0.11 1.032 6.45E-5 0.0 0.0826 0.7187 1870817 ChemDiv3_003731 O=c1cc(CSc2nc3ccccc3o2)[nH]c(=S)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J14 compound treatment 1.009 -0.018 -0.52 1.019 -0.0129 -0.38 -0.6397 -0.9883 1613843 ChemDiv3_003732 CC1(C)CC2(CCCN(C2)C(=S)Nc3ccccc3)CCO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J15 compound treatment 1.09 0.063 1.82 1.049 0.0171 0.5 1.6462 0.8701 1495361 ChemDiv3_003733 NC(=O)c1cc2C(=O)CCCc2n(c3ccccc3)c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J16 compound treatment 1.023 -0.00403 -0.12 1.026 -0.00594 -0.18 -0.2067 -0.9804 1259661 ChemDiv3_003734 CCCc1cc(NCCc2ccccc2)n3c4ccccc4nc3c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J17 compound treatment 1.017 -0.01 -0.29 1.028 -0.00394 -0.12 -0.2877 -0.9193 1705780 ChemDiv3_003735 CC(C)C(=O)Nc1cccc(c1)c2nc3ccccc3s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J18 compound treatment 1.036 0.00897 0.26 1.033 0.00106 0.03 0.2059 0.787 3023674 ChemDiv3_003736 CC[n+]1oc(cc1C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J19 compound treatment 1.028 9.68E-4 0.03 1.031 -9.35E-4 -0.03 3.0E-4 0.0066 3118638 ChemDiv3_003737 COc1ccc(OCCCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J20 compound treatment 1.021 -0.00603 -0.17 1.027 -0.00494 -0.15 -0.2267 -0.996 3023675 ChemDiv3_003738 CCOc1cccc(OCC)c2c(C)[n+](C)c(C)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J21 compound treatment 1.014 -0.013 -0.38 1.022 -0.00994 -0.29 -0.4746 -0.9923 1594999 ChemDiv3_003739 C=CCOc1ccc2c3CCCc3c(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J22 compound treatment 1.022 -0.00503 -0.15 1.027 -0.00494 -0.15 -0.2062 -1.0 3118639 ChemDiv3_003740 Cc1ccc(cc1)S(=O)(=O)N=C2NCN(CN2)C3CCN(Cc4ccccc4)CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J23 mock treatment 1.037 0.00997 0.29 1.034 0.00206 0.06 0.2473 0.8381 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 J24 mock treatment 1.054 0.027 0.78 1.058 0.0261 0.77 1.0972 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K01 compound treatment 1.029 0.00197 0.06 1.034 0.00206 0.06 0.0835 0.9994 1440044 ChemDiv3_003741 Nc1cc(=O)nc(SCC(=O)Nc2ccc(Cl)cn2)n1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K02 compound treatment 1.0 -0.027 -0.78 1.008 -0.0239 -0.71 -1.054 -0.9987 1668322 ChemDiv3_003742 Cc1cc(C(=S)N2CCOCC2)c(C)n1c3cccc(C)c3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K03 compound treatment 1.023 -0.00403 -0.12 1.019 -0.0129 -0.38 -0.353 -0.8828 3023676 ChemDiv3_003743 CCOc1ccc(cc1)N(C(C)C(=O)N(C)Cc2ccccc2)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K04 compound treatment 1.023 -0.00403 -0.12 1.03 -0.00194 -0.06 -0.123 -0.9461 1685444 ChemDiv3_003744 O=C(NCC1COc2ccccc2O1)c3cc4ccccc4o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K05 compound treatment 1.016 -0.011 -0.32 1.019 -0.0129 -0.38 -0.4964 -0.996 3118640 ChemDiv3_003745 CCOC(=O)N1CCN(CC1)C(=O)CN(c2cc(ccc2Cl)C(F)(F)F)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K06 compound treatment 1.011 -0.016 -0.46 1.014 -0.0179 -0.53 -0.7033 -0.9978 3023677 ChemDiv3_003746 COc1cccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K07 compound treatment 1.056 0.029 0.84 1.05 0.0181 0.53 0.9709 0.9762 3118641 ChemDiv3_003747 CN1C(=O)/C(=C/c2c(Sc3ccccc3)nc4ccc(C)cn4c2=O)/SC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K08 compound treatment 0.916 -0.111 -3.22 0.94 -0.0919 -2.72 -4.1958 -0.9965 3023678 ChemDiv3_003748 CC1CC2(CC(C)(C)C1)NN(C(=S)N2)c3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K09 compound treatment 1.033 0.00597 0.17 1.036 0.00406 0.12 0.2072 0.9842 1788362 ChemDiv3_003749 O=C(Sc1ccccn1)N2c3ccccc3Sc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K10 compound treatment 1.013 -0.014 -0.41 1.015 -0.0169 -0.5 -0.6414 -0.9946 3023679 ChemDiv3_003750 CCOC(=O)c1c(/N=C/C2C(=O)CCCC2=O)scc1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K11 compound treatment 1.031 0.00397 0.11 1.029 -0.00294 -0.09 0.0199 0.1381 3118642 ChemDiv3_003751 OC(=O)c1ccccc1C(=O)n2c(COc3ccc(Cl)cc3Cl)nc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K12 compound treatment 0.878 -0.149 -4.32 0.917 -0.115 -3.4 -5.4548 -0.993 3023680 ChemDiv3_003752 Cc1nn(c(C)c1Sc2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K13 compound treatment 1.013 -0.014 -0.41 1.015 -0.0169 -0.5 -0.6414 -0.9946 1193366 ChemDiv3_003753 CCc1ccc(Oc2coc3cc(OC(C)C(=O)OCC(C)C)ccc3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K14 compound treatment 1.007 -0.02 -0.58 1.015 -0.0169 -0.5 -0.7643 -0.9973 3118643 ChemDiv3_003754 NNC(=O)CSc1nc(nc2CCCCc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K15 compound treatment 1.01 -0.017 -0.49 1.009 -0.0229 -0.68 -0.8283 -0.9878 3023681 ChemDiv3_003755 O=c1[nH]c(SC/C=C/c2ccccc2)nc3sc4CCCc4c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K16 compound treatment 1.066 0.039 1.13 1.072 0.0401 1.18 1.6356 0.9997 3118644 ChemDiv3_003756 COc1ccccc1OCCSc2nc(c([nH]2)c3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K17 compound treatment 1.02 -0.00703 -0.2 1.024 -0.00794 -0.23 -0.3099 -0.9975 3023682 ChemDiv3_003757 CC1(C)C(OC(=O)C2(CCCCC2)C1=O)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K18 compound treatment 1.012 -0.015 -0.44 1.02 -0.0119 -0.35 -0.5574 -0.9946 3118645 ChemDiv3_003758 COC(=O)C1=C(C)N/C(=C/c2ccccc2OC)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K19 compound treatment 1.029 0.00197 0.06 1.033 0.00106 0.03 0.0626 0.9608 3118646 ChemDiv3_003759 Cc1cc2ncn(C(=O)CCCOc3ccccc3)c2cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K20 compound treatment 1.027 -3.23E-5 0.0 1.033 0.00106 0.03 0.0216 0.6858 1319748 ChemDiv3_003760 COc1ccc(CCCc2nnc(S)o2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K21 compound treatment 1.024 -0.00303 -0.09 1.022 -0.00994 -0.29 -0.2698 -0.88 3118647 ChemDiv3_003761 COc1ccc(CC(=O)N2N=C(CC2(O)C(C)(C)C)C(F)(F)F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K22 compound treatment 1.018 -0.00903 -0.26 1.026 -0.00594 -0.18 -0.3091 -0.9811 1425470 ChemDiv3_003762 CC(=O)Nc1ccc(Nc2c3CCCCc3c(C#N)c4nc5ccccc5n24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K23 mock treatment 1.008 -0.019 -0.55 1.002 -0.0299 -0.89 -1.0156 -0.974 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 K24 mock treatment 1.02 -0.00703 -0.2 1.028 -0.00394 -0.12 -0.2263 -0.9647 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L01 compound treatment 0.993 -0.034 -0.99 1.01 -0.0219 -0.65 -1.1555 -0.9794 3118648 ChemDiv3_003763 CCOc1ccc(N/C=C/C2=[O+]C(C)(C)C(C)(C)O2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L02 compound treatment 1.017 -0.01 -0.29 1.019 -0.0129 -0.38 -0.4759 -0.9908 1148259 ChemDiv3_003764 CCOC(=O)c1cnc2ccc(C)cc2c1Nc3ccc(cc3)N4CCOCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L03 compound treatment 1.031 0.00397 0.11 1.035 0.00306 0.09 0.1453 0.9931 1668601 ChemDiv3_003765 CCOc1ccc(cc1)N2C(=O)c3ccccc3NC2(CC)CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L04 compound treatment 1.273 0.246 7.12 1.254 0.222 6.57 9.6796 0.9992 1871007 ChemDiv3_003766 CC1CC(C)(C)N(C(=O)CSc2nc(C)cc(C)n2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L05 compound treatment 1.043 0.016 0.46 1.049 0.0171 0.5 0.6838 0.9991 3118649 ChemDiv3_003767 Cc1ccc(cc1)N2C(=O)C(/C=N/Cc3ccc(cc3)C(=O)O)C(=O)NC2=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L06 compound treatment 1.021 -0.00603 -0.17 1.007 -0.0249 -0.74 -0.6448 -0.8511 1409959 ChemDiv3_003768 CCOc1nc(NC(C)(C)CO)nc(OCC)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L07 compound treatment 1.028 9.68E-4 0.03 1.034 0.00206 0.06 0.063 0.9377 3023683 ChemDiv3_003769 O=c1c(cc2[nH]c3ccccc3c2n1c4ccccc4)[n+]5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L08 compound treatment 1.031 0.00397 0.11 1.04 0.00806 0.24 0.2499 0.944 1287509 ChemDiv3_003770 CCCn1c2CCCc2c(=N)c3CCCc31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L09 compound treatment 0.992 -0.035 -1.01 1.005 -0.0269 -0.8 -1.2805 -0.9928 3118791 ChemDiv3_003771 Cc1ccc(/N=C/2\NC(=O)\C(=C/c3ccc4n(C)c(=O)n(C)c4c3)\S2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L10 compound treatment 1.052 0.025 0.72 1.049 0.0171 0.5 0.8681 0.9845 3023684 ChemDiv3_003772 CCOC(=O)c1sc(nc1C)N2N=C(C)/C(=C\c3ccco3)/C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L11 compound treatment 1.001 -0.026 -0.75 1.001 -0.0309 -0.91 -1.1798 -0.9954 1686077 ChemDiv3_003773 CCOc1cc(ccc1OCc2ccccc2F)C(=S)N3CCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L12 compound treatment 1.004 -0.023 -0.67 1.006 -0.0259 -0.77 -1.0139 -0.9976 3023685 ChemDiv3_003774 O=C(Nc1nc2nc(cc(c3ccccc3)n2n1)c4ccccc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L13 compound treatment 1.012 -0.015 -0.44 1.022 -0.00994 -0.29 -0.5156 -0.9817 3118792 ChemDiv3_003775 COc1cc(NC=C2C(=O)c3ccccc3C2=O)cc(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L14 compound treatment 1.024 -0.00303 -0.09 1.021 -0.0109 -0.32 -0.2907 -0.8677 3118793 ChemDiv3_003776 COc1ccc(/C=C/C(=O)NCC2(CCOCC2)c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L15 compound treatment 1.03 0.00297 0.09 1.037 0.00506 0.15 0.1667 0.9653 3023686 ChemDiv3_003777 COc1ccc(cc1)n2c3CC(C)(C)CC(=O)c3cc(C(=O)N)c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L16 compound treatment 1.015 -0.012 -0.35 1.02 -0.0119 -0.35 -0.4959 -1.0 1339113 ChemDiv3_003778 CCCc1cc(n2cnc3ccccc23)n4c5ccccc5nc4c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L17 compound treatment 1.003 -0.024 -0.7 1.004 -0.0279 -0.83 -1.0762 -0.9964 1197106 ChemDiv3_003779 COc1cc2nc(COc3ccccc3)oc(=O)c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L18 compound treatment 1.021 -0.00603 -0.17 1.022 -0.00994 -0.29 -0.3312 -0.9692 1224201 ChemDiv3_003780 CC1CN(CC(C)O1)C(=S)SCC(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L19 compound treatment 1.015 -0.012 -0.35 1.025 -0.00694 -0.21 -0.3914 -0.968 3023687 ChemDiv3_003781 CCCc1nnc2c3c4CCCCc4sc3ncn12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L20 compound treatment 1.018 -0.00903 -0.26 1.023 -0.00894 -0.26 -0.3718 -1.0 3118794 ChemDiv3_003782 CCOc1ccc/c(=N\C2CCCCC2)/c3c(C)n(C)c(C)c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L21 compound treatment 1.005 -0.022 -0.64 1.016 -0.0159 -0.47 -0.7843 -0.9889 1403487 ChemDiv3_003783 COC(=O)Oc1ccc2c(=O)c(coc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L22 compound treatment 1.024 -0.00303 -0.09 1.059 0.0271 0.8 0.5037 0.6257 3118795 ChemDiv3_003784 NC(=NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L23 mock treatment 1.05 0.023 0.67 1.051 0.0191 0.56 0.8689 0.9966 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 L24 mock treatment 1.003 -0.024 -0.7 1.008 -0.0239 -0.71 -0.9925 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M01 compound treatment 1.015 -0.012 -0.35 1.015 -0.0169 -0.5 -0.6005 -0.9843 1167509 ChemDiv3_003785 CCCc1nc(NCc2ccccc2)c(C#N)c3CCCCc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M02 compound treatment 1.008 -0.019 -0.55 1.008 -0.0239 -0.71 -0.8902 -0.9924 3023688 ChemDiv3_003786 CC(=O)NS(=O)(=O)c1ccc(cc1)c2ccc(/C=C\3/C(=O)NN(C3=O)c4cccc(Cl)c4)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M03 compound treatment 0.982 -0.045 -1.3 0.961 -0.0709 -2.1 -2.4052 -0.9739 3118796 ChemDiv3_003787 CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M04 compound treatment 1.007 -0.02 -0.58 1.014 -0.0179 -0.53 -0.7852 -0.999 1306758 ChemDiv3_003788 CC(NC(=O)COc1ccccc1)C2COc3ccccc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M05 compound treatment 0.991 -0.036 -1.04 0.988 -0.0439 -1.3 -1.6564 -0.9941 1714591 ChemDiv3_003789 COc1ccccc1N(CC(=O)NCc2ccco2)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M06 compound treatment 1.004 -0.023 -0.67 1.007 -0.0249 -0.74 -0.993 -0.9988 1642367 ChemDiv3_003790 Cc1ccc(cc1)N2CCN(C2c3ccncc3)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M07 compound treatment 1.092 0.065 1.88 1.073 0.0411 1.21 2.1889 0.9775 3118797 ChemDiv3_003791 C=CCNc1nc2ccccn2c(=O)c1/C=C/3\SC(=S)N(Cc4ccc5OCOc5c4)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M08 compound treatment 1.016 -0.011 -0.32 1.022 -0.00994 -0.29 -0.4336 -0.9991 1732117 ChemDiv3_003792 CCC(=O)NC(=S)Nc1cc(ccc1OC)c2nc3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M09 compound treatment 1.013 -0.014 -0.41 1.018 -0.0139 -0.41 -0.5787 -1.0 1788364 ChemDiv3_003793 Cc1nnc(SC(=O)N2c3ccccc3Sc4ccccc24)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M10 compound treatment 0.928 -0.099 -2.87 0.955 -0.0769 -2.27 -3.6365 -0.9934 3118798 ChemDiv3_003794 CCOC(=O)c1c(C)c(C)sc1/N=C/C2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M11 compound treatment 1.015 -0.012 -0.35 1.017 -0.0149 -0.44 -0.5586 -0.9931 1693706 ChemDiv3_003795 OC(=O)c1cccc(c1)N2C(SCC2=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M12 compound treatment 0.949 -0.078 -2.26 0.953 -0.0789 -2.33 -3.2482 -0.9999 3118799 ChemDiv3_003796 COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M13 compound treatment 1.02 -0.00703 -0.2 1.027 -0.00494 -0.15 -0.2472 -0.9866 1234541 ChemDiv3_003797 CC1CCc2[nH]c3ccc(cc3c2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M14 compound treatment 1.003 -0.024 -0.7 1.01 -0.0219 -0.65 -0.9507 -0.9994 1255457 ChemDiv3_003798 CN(C(=O)Oc1cccc2cccnc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M15 compound treatment 0.981 -0.046 -1.33 0.983 -0.0489 -1.45 -1.9657 -0.9992 3023739 ChemDiv3_003799 CCOC(=O)c1c(C)c(C)sc1N2C(=O)C3ON(C(C3C2=O)c4ccccc4)c5ccccc5C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M16 compound treatment 0.979 -0.048 -1.39 0.986 -0.0459 -1.36 -1.944 -0.9999 3023740 ChemDiv3_003800 CN1C(=O)N(C)C(=O)C(=Cc2cn(Cc3noc(n3)c4ccc(C)cc4)c5ccccc25)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M17 compound treatment 1.009 -0.018 -0.52 1.016 -0.0159 -0.47 -0.7024 -0.9987 3023741 ChemDiv3_003801 O=C(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)c3cc(nc4ccccc34)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M18 compound treatment 1.005 -0.022 -0.64 1.015 -0.0169 -0.5 -0.8052 -0.9928 3023742 ChemDiv3_003802 COC(=O)C1=C(C)N/C(=C/c2cccs2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M19 compound treatment 0.955 -0.072 -2.09 0.97 -0.0619 -1.83 -2.77 -0.9979 3023743 ChemDiv3_003803 CC1=NN(C(=O)COc2cc(C)cc(C)c2)C(O)(C1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M20 compound treatment 1.011 -0.016 -0.46 1.01 -0.0219 -0.65 -0.7869 -0.9866 3118800 ChemDiv3_003804 Sc1nnc(COc2ccc3CCCCc3c2)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M21 compound treatment 1.017 -0.01 -0.29 1.011 -0.0209 -0.62 -0.6431 -0.9406 3118801 ChemDiv3_003805 COc1ccc(cc1)C2=NN(C(=O)c3ccccc3O)C(O)(C2)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M22 compound treatment 1.251 0.224 6.49 1.209 0.177 5.24 8.2883 0.9944 1363934 ChemDiv3_003806 Cc1nccn1c2c3CCCCc3c(C#N)c4nc5ccccc5n24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M23 mock treatment 1.001 -0.026 -0.75 0.998 -0.0339 -1.0 -1.2426 -0.9901 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 M24 mock treatment 0.989 -0.038 -1.1 1.002 -0.0299 -0.89 -1.4047 -0.9941 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N01 compound treatment 1.002 -0.025 -0.72 1.005 -0.0269 -0.8 -1.0757 -0.9989 3023744 ChemDiv3_003807 CCOC(=O)c1c(NC(=O)C)no[n+]1[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N02 compound treatment 0.989 -0.038 -1.1 0.994 -0.0379 -1.12 -1.5719 -1.0 1330639 ChemDiv3_003808 CC(C)OC(=O)COc1cc2oc(=O)c3CCCc3c2cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N03 compound treatment 0.992 -0.035 -1.01 1.006 -0.0259 -0.77 -1.2596 -0.9905 3118802 ChemDiv3_003809 NC(=O)COc1ccc(/C=c\2/sc3nc4ccccc4n3c2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N04 compound treatment 1.0 -0.027 -0.78 1.009 -0.0229 -0.68 -1.0331 -0.9974 3023745 ChemDiv3_003810 Cc1c(oc2ccc3c(C)cc(=O)oc3c12)/C(=N/O)/c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N05 compound treatment 0.998 -0.029 -0.84 1.007 -0.0249 -0.74 -1.1158 -0.9979 3118803 ChemDiv3_003811 CCn1c(=N)n(CCOc2ccc(C)cc2)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N06 compound treatment 1.004 -0.023 -0.67 1.007 -0.0249 -0.74 -0.993 -0.9988 3118804 ChemDiv3_003812 Cc1[nH]nc2OC(=C(C#N)C(c12)c3cc(COc4ccccc4Cl)c(C)cc3C)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N07 compound treatment 0.974 -0.053 -1.54 0.97 -0.0619 -1.83 -2.3809 -0.9962 1788734 ChemDiv3_003813 Clc1ccc2[nH]c3C(CCCc3c2c1)C(=O)N4CCN(CC4)C(=O)c5ccco5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N08 compound treatment 1.02 -0.00703 -0.2 1.021 -0.0109 -0.32 -0.3726 -0.9752 1583570 ChemDiv3_003814 CCCCN1CCc2c1nc3ccc(Br)cc3c2N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N09 compound treatment 1.001 -0.026 -0.75 1.009 -0.0229 -0.68 -1.0126 -0.9986 3118805 ChemDiv3_003815 CCOC(=O)Cn1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c3ccc(F)cc3)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N10 compound treatment 0.994 -0.033 -0.96 0.999 -0.0329 -0.97 -1.365 -1.0 3023746 ChemDiv3_003816 CC1SC(=S)N(C1=O)c2ccc(cc2)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N11 compound treatment 1.003 -0.024 -0.7 1.01 -0.0219 -0.65 -0.9507 -0.9994 3023747 ChemDiv3_003817 S=C(N1CCCC1)c2c[nH]c3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N12 compound treatment 1.004 -0.023 -0.67 1.009 -0.0229 -0.68 -0.9512 -1.0 3118806 ChemDiv3_003818 C1N2CN3CN1CC(C2)(C3)/N=C\c4cccnc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N13 compound treatment 1.005 -0.022 -0.64 1.017 -0.0149 -0.44 -0.7634 -0.9838 3118807 ChemDiv3_003819 COc1cc(N/C(=C\2/C(=NN(C2=O)c3nc4ccccc4s3)C)/C)cc(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N14 compound treatment 1.046 0.019 0.55 1.054 0.0221 0.65 0.8497 0.9963 1134380 ChemDiv3_003820 CCCCN(C)c1ncnc2c3cc4COC(C)(C)Cc4nc3sc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N15 compound treatment 1.002 -0.025 -0.72 1.015 -0.0169 -0.5 -0.8667 -0.9837 3118808 ChemDiv3_003821 Cc1ccc(cc1)n2c3CCCC(=O)c3cc(C(=O)NC4CCSC4=O)c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N16 compound treatment 1.008 -0.019 -0.55 1.014 -0.0179 -0.53 -0.7647 -0.9998 1534750 ChemDiv3_003822 CCN(CC)CCNc1c2CCCCc2c(C#N)c3nc4ccccc4n13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N17 compound treatment 0.999 -0.028 -0.81 1.01 -0.0219 -0.65 -1.0326 -0.9938 1570102 ChemDiv3_003823 COc1ccc(CC(=O)Nc2cccc(c2)c3nnc(o3)c4ccco4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N18 compound treatment 0.993 -0.034 -0.99 0.991 -0.0409 -1.21 -1.5527 -0.9948 3118809 ChemDiv3_003824 CCc1nnc(NC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C=C5)C4C3=O)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N19 compound treatment 1.008 -0.019 -0.55 1.015 -0.0169 -0.5 -0.7438 -0.9989 1492524 ChemDiv3_003825 O=c1oc(nc2sc3CCCCc3c12)c4cc5ccccc5o4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N20 compound treatment 1.0 -0.027 -0.78 0.997 -0.0349 -1.03 -1.284 -0.9907 3118810 ChemDiv3_003826 CC(CCC(=O)O)C1CC[C@H]2C3CCC4CC(=O)CCC4(C)[C@H]3CC(=O)C12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N21 compound treatment 0.997 -0.03 -0.87 1.004 -0.0279 -0.83 -1.199 -0.9997 1224438 ChemDiv3_003827 CC(C)COC(=O)C(C)Oc1ccc2c3CCCc3c(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N22 compound treatment 1.003 -0.024 -0.7 0.999 -0.0329 -0.97 -1.1807 -0.9864 3118945 ChemDiv3_003828 CCCCS(=O)(=O)N=C1NCN(Cc2ccco2)CN1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N23 mock treatment 0.998 -0.029 -0.84 1.005 -0.0269 -0.8 -1.1577 -0.9996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 N24 mock treatment 0.974 -0.053 -1.54 0.971 -0.0609 -1.8 -2.36 -0.9968 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O01 compound treatment 1.008 -0.019 -0.55 1.014 -0.0179 -0.53 -0.7647 -0.9998 1741234 ChemDiv3_003829 CCCc1nc(NC2CCCCC2)c(C#N)c3CCCCc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O02 compound treatment 1.006 -0.021 -0.61 1.019 -0.0129 -0.38 -0.7011 -0.9749 3118946 ChemDiv3_003830 Cc1c(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c(O)n4c5ccccc5nc4c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O03 compound treatment 1.015 -0.012 -0.35 1.027 -0.00494 -0.15 -0.3496 -0.9254 3023748 ChemDiv3_003831 COc1ccccc1N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O04 compound treatment 1.056 0.029 0.84 1.082 0.0501 1.48 1.6399 0.9638 3118947 ChemDiv3_003832 COc1ccccc1CC(=O)NCC2OCCc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O05 compound treatment 1.013 -0.014 -0.41 1.019 -0.0129 -0.38 -0.5578 -0.9995 1275170 ChemDiv3_003833 CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O06 compound treatment 1.016 -0.011 -0.32 1.014 -0.0179 -0.53 -0.6009 -0.9706 3023749 ChemDiv3_003834 Brc1ccc(cc1)C2=CC(=O)C=CC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O07 compound treatment 1.018 -0.00903 -0.26 1.016 -0.0159 -0.47 -0.5181 -0.9614 1119910 ChemDiv3_003835 COc1ccc2c(C)c(CC(C)O)c(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O08 compound treatment 1.025 -0.00203 -0.06 1.031 -9.35E-4 -0.03 -0.0612 -0.9407 3118948 ChemDiv3_003836 CCOC(=O)c1c(/N=C/C2C(=O)NC(=S)NC2=O)sc3CCCCCc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O09 compound treatment 1.274 0.247 7.15 1.299 0.267 7.9 10.6409 0.9988 1870831 ChemDiv3_003837 CCOC(=O)Oc1ccc2N(C(=O)OCC)C(C)(C)C=C(C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O10 compound treatment 1.01 -0.017 -0.49 1.019 -0.0129 -0.38 -0.6192 -0.9921 3118949 ChemDiv3_003838 CCOC(=O)c1cc(CC)sc1/N=C/C2C(=O)c3ccccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O11 compound treatment 0.942 -0.085 -2.46 0.926 -0.106 -3.13 -3.9561 -0.9929 1259659 ChemDiv3_003839 Cc1ccc2nc(C)cc(NC3CCCCC3)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O12 compound treatment 0.917 -0.11 -3.19 0.895 -0.137 -4.05 -5.1161 -0.993 1450973 ChemDiv3_003840 CCOc1ccccc1N2C(=O)CC(N(O)c3ccccc3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O13 compound treatment 0.991 -0.036 -1.04 0.988 -0.0439 -1.3 -1.6564 -0.9941 1696898 ChemDiv3_003841 COC(=O)c1ccc2nc(C)cc(O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O14 compound treatment 1.011 -0.016 -0.46 1.017 -0.0149 -0.44 -0.6406 -0.9997 1458066 ChemDiv3_003842 CCN(CC)C(=O)Oc1ccnc2cc(Cl)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O15 compound treatment 1.018 -0.00903 -0.26 1.028 -0.00394 -0.12 -0.2672 -0.9335 1562065 ChemDiv3_003843 CCOC(=O)C1=C(Nc2nnnn2C1c3ccc(Br)cc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O16 compound treatment 1.112 0.085 2.46 1.123 0.0911 2.69 3.6438 0.999 3023750 ChemDiv3_003844 CNC(=O)CN1C(=O)C2C3CC(C=C3)C2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O17 compound treatment 1.031 0.00397 0.11 1.034 0.00206 0.06 0.1244 0.9562 3118950 ChemDiv3_003845 COC(=O)C(CC(C)C)NC(=O)c1cc(nc2ccccc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O18 compound treatment 1.012 -0.015 -0.44 1.016 -0.0159 -0.47 -0.641 -0.9992 1303884 ChemDiv3_003846 Nc1ncn(n1)C(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O19 compound treatment 1.019 -0.00803 -0.23 1.014 -0.0179 -0.53 -0.5395 -0.9316 3118951 ChemDiv3_003847 OC1(C2CCCCC2=NN1C(=O)c3ccccc3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O20 compound treatment 1.02 -0.00703 -0.2 1.025 -0.00694 -0.21 -0.289 -1.0 1381604 ChemDiv3_003848 Cc1cc(N2CCCC2)n3c4ccccc4nc3c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O21 compound treatment 1.072 0.045 1.3 1.092 0.0601 1.78 2.1766 0.9884 3118952 ChemDiv3_003849 OC1(CC(=NN1C(=O)C2CC2)c3ccc(Cl)cc3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O22 compound treatment 1.046 0.019 0.55 1.053 0.0211 0.62 0.8288 0.998 1172393 ChemDiv3_003850 COc1ccc(CN2CCN(CC2)c3ncnc4scc(c5ccc(Cl)cc5)c34)cc1F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O23 mock treatment 1.041 0.014 0.4 1.048 0.0161 0.47 0.6219 0.9968 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 O24 mock treatment 1.086 0.059 1.71 1.105 0.0731 2.16 2.7351 0.9932 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P01 compound treatment 1.001 -0.026 -0.75 1.014 -0.0179 -0.53 -0.9081 -0.9852 1604660 ChemDiv3_003851 CCC(Sc1nnnn1c2ccccc2)C(=O)N3c4ccccc4Sc5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P02 compound treatment 1.022 -0.00503 -0.15 1.027 -0.00494 -0.15 -0.2062 -1.0 3118953 ChemDiv3_003852 FC(F)(F)c1cccc(/N=C/2\NC(=N)c3ccccc23)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P03 compound treatment 1.014 -0.013 -0.38 1.022 -0.00994 -0.29 -0.4746 -0.9923 1143801 ChemDiv3_003853 OC1(CC(=O)c2ccc(Br)cc2)C(=O)N(Cc3ccccc3)c4ccccc41 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P04 compound treatment 1.018 -0.00903 -0.26 1.022 -0.00994 -0.29 -0.3927 -0.9983 1397253 ChemDiv3_003854 COc1ccc(cc1)C(=O)NCc2ccc3OCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P05 compound treatment 1.003 -0.024 -0.7 1.016 -0.0159 -0.47 -0.8253 -0.9819 3118954 ChemDiv3_003855 CCOC(=O)N1CCN(CC1)C(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c3ccc(Cl)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P06 compound treatment 1.021 -0.00603 -0.17 1.023 -0.00894 -0.26 -0.3103 -0.9798 1737242 ChemDiv3_003856 CC1(C)Cc2nc3sc4c(NN)ncnc4c3cc2CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P07 compound treatment 1.021 -0.00603 -0.17 1.024 -0.00794 -0.23 -0.2894 -0.9895 3118955 ChemDiv3_003857 CS(=O)(=O)N(Cc1ccccc1)c2ccc(cc2)C(=O)NCCSc3ccccn3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P08 compound treatment 1.008 -0.019 -0.55 1.013 -0.0189 -0.56 -0.7856 -1.0 1681828 ChemDiv3_003858 CCOc1ccc(cc1)N2CCc3c2nc4ccc(Br)cc4c3N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P09 compound treatment 1.025 -0.00203 -0.06 1.039 0.00706 0.21 0.1061 0.4888 3023751 ChemDiv3_003859 Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1c3ccc(I)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P10 compound treatment 0.984 -0.043 -1.25 1.007 -0.0249 -0.74 -1.4025 -0.9686 3023752 ChemDiv3_003860 Clc1ccc(cc1)c2nc3cccc4cccc([nH]2)c43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P11 compound treatment 1.022 -0.00503 -0.15 1.025 -0.00694 -0.21 -0.248 -0.986 1334154 ChemDiv3_003861 Clc1ccc(Cn2cc(C(=S)N3CCCC3)c4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P12 compound treatment 1.015 -0.012 -0.35 1.015 -0.0169 -0.5 -0.6005 -0.9843 1027643 ChemDiv3_003862 OC(=O)CSC(=S)N1CCOCC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P13 compound treatment 0.995 -0.032 -0.93 1.0 -0.0319 -0.94 -1.3236 -1.0 3118956 ChemDiv3_003863 O=C1CC(CC(=O)C1=CNCCN2CCNCC2)c3cccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P14 compound treatment 1.036 0.00897 0.26 1.033 0.00106 0.03 0.2059 0.787 1538427 ChemDiv3_003864 CC1(C)Cc2nc3sc4c(NCC5CCCO5)ncnc4c3cc2CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P15 compound treatment 1.04 0.013 0.38 1.042 0.0101 0.3 0.476 0.9934 1219327 ChemDiv3_003865 O=C(Nc1ccccc1)c2cc3C(=O)CCCc3n(c4ccccc4)c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P16 compound treatment 1.036 0.00897 0.26 1.03 -0.00194 -0.06 0.1432 0.5384 1621677 ChemDiv3_003866 Cc1ccc(OCCN2CCN(CC2)c3ncnc4scc(c5ccccc5)c34)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P17 compound treatment 1.021 -0.00603 -0.17 1.026 -0.00594 -0.18 -0.2476 -1.0 3118957 ChemDiv3_003867 O=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)/C(=O)N1C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P18 compound treatment 0.967 -0.06 -1.74 0.962 -0.0699 -2.07 -2.6915 -0.9963 3023753 ChemDiv3_003868 CCc1nnc(NC(=O)C(C)N2C(=O)C3C4CC(C=C4)C3C2=O)s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P19 compound treatment 1.019 -0.00803 -0.23 1.03 -0.00194 -0.06 -0.205 -0.8555 3118958 ChemDiv3_003869 CCC(C)OC(=O)CSc1ncnc2sc3CC(C)CCc3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P20 compound treatment 1.036 0.00897 0.26 1.043 0.0111 0.33 0.415 0.9935 3023754 ChemDiv3_003870 Cc1cc2NC(=CC(=Nc2cc1C)c3cccs3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P21 compound treatment 1.01 -0.017 -0.49 1.024 -0.00794 -0.23 -0.5147 -0.9423 1262711 ChemDiv3_003871 CCC(C)OC(=O)C(C)Oc1ccc2c3CCCc3c(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P22 compound treatment 1.026 -0.00103 -0.03 1.034 0.00206 0.06 0.022 0.324 1606981 ChemDiv3_003872 OC1(CC(=O)c2ccccc2)C(=O)N(CC=C)c3ccccc31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P23 mock treatment 1.036 0.00897 0.26 1.041 0.00906 0.27 0.3732 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2011 P24 mock treatment 1.032 0.00497 0.14 1.037 0.00506 0.15 0.2076 0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A01 compound treatment 1.025 -0.0227 -0.66 1.012 -0.0428 -1.27 -1.3604 -0.9538 3118959 ChemDiv3_003873 COC(=O)C(CC(C)C)N1C=C(C(C(=C1)C(=O)OC)c2ccc(Br)cc2)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A02 compound treatment 0.995 -0.0527 -1.53 1.014 -0.0408 -1.21 -1.9329 -0.9931 3023755 ChemDiv3_003874 CN(C)c1ccc(cc1)n2cccc2C=C3C(=O)N(C)C(=S)N(C)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A03 compound treatment 0.994 -0.0537 -1.56 0.998 -0.0568 -1.68 -2.2879 -0.9993 1344150 ChemDiv3_003875 CSc1nnc-2c(OC(C)Nc3ccccc32)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A04 compound treatment 1.021 -0.0268 -0.77 1.029 -0.0258 -0.76 -1.0869 -1.0 3118960 ChemDiv3_003876 O=C(CSc1nnc(COc2ccccc2)o1)Nc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A05 compound treatment 1.004 -0.0437 -1.27 1.017 -0.0378 -1.12 -1.6859 -0.998 3023867 ChemDiv3_003877 CCc1ccc2NC(=O)/C(=C/3\SC(=N)NC3=O)/c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A06 compound treatment 1.007 -0.0408 -1.18 1.012 -0.0428 -1.27 -1.729 -0.9994 1867181 ChemDiv3_003878 CCOC(=O)c1c(C)n(Cc2ccccc2)c3ccc(OCC(O)CNC(C)(C)C)cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A07 compound treatment 1.002 -0.0457 -1.32 1.031 -0.0238 -0.7 -1.4342 -0.9561 3118961 ChemDiv3_003879 CCc1ccc(/C=N/n2c(C)nnc2n3nc(C)cc3C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A08 compound treatment 1.013 -0.0348 -1.01 1.007 -0.0478 -1.41 -1.7107 -0.9862 1292139 ChemDiv3_003880 O=C(N1c2ccccc2Sc3ccccc13)c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A09 compound treatment 1.16 0.112 3.25 1.183 0.128 3.79 4.9792 0.9971 3119097 ChemDiv3_003881 CN1C(=O)/C(=C/2\S\C(=N/c3ccc(F)cc3)\NC2=O)/c4cc(Br)cc(C)c14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A10 compound treatment 1.024 -0.0237 -0.69 1.024 -0.0308 -0.91 -1.13 -0.9905 3023868 ChemDiv3_003882 CCCn1c(C)cc(C)c(C#N)c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A11 compound treatment 1.133 0.0853 2.47 1.161 0.106 3.14 3.9663 0.9929 3023869 ChemDiv3_003883 CC(Cc1ccccc1)[n+]2[cH-]/c(=N\C(=O)N)/on2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A12 compound treatment 0.995 -0.0527 -1.53 0.971 -0.0838 -2.48 -2.8319 -0.973 1249817 ChemDiv3_003884 COc1cccc(CN2CCN(CC2)C(=O)c3cccs3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A13 compound treatment 1.007 -0.0408 -1.18 1.006 -0.0488 -1.44 -1.8544 -0.995 3119098 ChemDiv3_003885 Cc1ccc(Nc2nnc(c3ccc(C)c(c3)S(=O)(=O)NCC4CCCO4)c5ccccc25)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A14 compound treatment 1.005 -0.0428 -1.24 1.002 -0.0528 -1.56 -1.979 -0.9934 3023870 ChemDiv3_003886 C(Cc1c[nH]c2ccccc12)NCc3cccc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A15 compound treatment 1.013 -0.0348 -1.01 0.996 -0.0588 -1.74 -1.9406 -0.9662 1549146 ChemDiv3_003887 Clc1ccc(SCC(=O)Nc2ccc(cc2)c3nc4ncccc4o3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A16 compound treatment 1.019 -0.0288 -0.83 1.004 -0.0508 -1.5 -1.6505 -0.9613 3023871 ChemDiv3_003888 CCCN(CCC)C1=C(N(CC(=O)N)S(=O)(=O)c2ccccc12)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A17 compound treatment 1.007 -0.0408 -1.18 1.009 -0.0458 -1.35 -1.7917 -0.9977 1118860 ChemDiv3_003889 CCN(CC)CCC(=O)N1N=C(CC1c2ccc(OC)cc2)c3ccc(C)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A18 compound treatment 1.011 -0.0368 -1.06 1.008 -0.0468 -1.38 -1.7307 -0.9916 1173412 ChemDiv3_003890 Cc1cc(C)cc(Oc2coc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A19 compound treatment 1.083 0.0352 1.02 1.069 0.0142 0.42 1.019 0.923 1387978 ChemDiv3_003891 CN(C)C1CS(=O)(=O)CC1N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A20 compound treatment 1.031 -0.0168 -0.49 1.006 -0.0488 -1.44 -1.363 -0.8956 1867723 ChemDiv3_003892 COc1ccccc1COc2ccc3c4CCCCCc4c(=O)oc3c2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A21 compound treatment 1.041 -0.00675 -0.2 1.037 -0.0178 -0.53 -0.5101 -0.9092 1361724 ChemDiv3_003893 O=C(NCc1ccccc1)NC2CCS(=O)(=O)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A22 compound treatment 0.962 -0.0858 -2.48 0.979 -0.0758 -2.24 -3.3404 -0.9987 1233165 ChemDiv3_003894 Cc1oc(cc1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A23 mock treatment 1.02 -0.0277 -0.8 1.013 -0.0418 -1.24 -1.4419 -0.9783 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 A24 mock treatment 1.007 -0.0408 -1.18 1.01 -0.0448 -1.32 -1.7708 -0.9984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B01 compound treatment 0.993 -0.0548 -1.59 0.999 -0.0558 -1.65 -2.2875 -0.9998 3119099 ChemDiv3_003895 CN(/N=C/c1ccccc1)C2=NS(=O)(=O)c3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B02 compound treatment 1.023 -0.0248 -0.72 1.013 -0.0418 -1.24 -1.3804 -0.9665 3119100 ChemDiv3_003896 COC(=O)C1=C(C)N/C(=C/c2cc(C)n(c2C)c3ccc(OC)c(Cl)c3)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B03 compound treatment 1.01 -0.0377 -1.09 1.017 -0.0378 -1.12 -1.563 -0.9999 3023872 ChemDiv3_003897 COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1OC(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B04 compound treatment 1.019 -0.0288 -0.83 1.014 -0.0408 -1.21 -1.4414 -0.9836 3023873 ChemDiv3_003898 Cc1ccc(cc1)c2c[n+]([O-])c3CCCc3[n+]2[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B05 compound treatment 0.998 -0.0498 -1.44 1.008 -0.0468 -1.38 -1.9969 -0.9998 3119101 ChemDiv3_003899 O=c1[nH]c2ccccc2n1CCCSc3nc4ccccc4[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B06 compound treatment 0.999 -0.0488 -1.41 1.014 -0.0408 -1.21 -1.851 -0.9969 1401658 ChemDiv3_003900 CCOC(=O)c1c(oc2ccc(OCC(=O)OC)cc12)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B07 compound treatment 1.054 0.00625 0.18 1.06 0.00521 0.15 0.237 0.9968 1210771 ChemDiv3_003901 CC(C)Cn1c(=O)c2cc3c(=O)n(CC(C)C)c(=O)c3c(C(=O)c4ccc(Cl)cc4)c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B08 compound treatment 0.997 -0.0508 -1.47 1.011 -0.0438 -1.29 -1.9547 -0.998 1511593 ChemDiv3_003902 CC1CCN(CC1)S(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B09 compound treatment 0.999 -0.0488 -1.41 1.024 -0.0308 -0.91 -1.6419 -0.9775 1487762 ChemDiv3_003903 O=S(=O)(NCCC1(CC2CC3CC(C2)C1)C3)c4cccc5nsnc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B10 compound treatment 1.007 -0.0408 -1.18 0.998 -0.0568 -1.68 -2.0217 -0.9851 3023874 ChemDiv3_003904 COc1cc(/C=C\2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCCOc4ccc(C)c(C)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B11 compound treatment 1.135 0.0873 2.53 1.152 0.0972 2.87 3.8191 0.9979 3119102 ChemDiv3_003905 CN(C)/C=N/c1c(C#N)cnn1c2ncnc3sc4CCCc4c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B12 compound treatment 1.021 -0.0268 -0.77 1.041 -0.0138 -0.41 -0.836 -0.955 3023875 ChemDiv3_003906 COc1ccc2N3C(=NC(=O)C(Cc4ccccc4)C3=O)Sc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B13 compound treatment 0.939 -0.109 -3.15 0.923 -0.132 -3.9 -4.9822 -0.9944 1072961 ChemDiv3_003907 O=c1n(Cc2ccccc2)nc(c3ccccc3)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B14 compound treatment 1.01 -0.0377 -1.09 0.995 -0.0598 -1.77 -2.023 -0.9733 1739914 ChemDiv3_003908 Clc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2NCCc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B15 compound treatment 1.002 -0.0457 -1.32 1.001 -0.0538 -1.59 -2.0614 -0.9959 3023876 ChemDiv3_003909 C(Sc1nc2ccccc2[nH]1)/C=C/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B16 compound treatment 1.025 -0.0227 -0.66 1.032 -0.0228 -0.67 -0.9423 -0.9999 1325550 ChemDiv3_003910 NC1=C(C#N)C(c2sc3ccccc3c2O1)c4ccccc4OC(=O)c5ccccc5Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B17 compound treatment 1.028 -0.0197 -0.57 1.012 -0.0428 -1.27 -1.2989 -0.9356 3023877 ChemDiv3_003911 CC(C)OC(=O)C1=c2s/c(=C\c3cccnc3)/c(=O)n2C(=C(C#N)C1c4cccnc4)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B18 compound treatment 1.144 0.0962 2.79 1.1 0.0452 1.34 2.9163 0.9433 3119103 ChemDiv3_003912 COc1ccc(CN2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B19 compound treatment 1.019 -0.0288 -0.83 1.021 -0.0338 -1.0 -1.2951 -0.9959 1408601 ChemDiv3_003913 COc1ccc(CCNc2ncnc3sc4CCCCc4c23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B20 compound treatment 1.048 2.5E-4 0.01 1.062 0.00721 0.21 0.1559 0.7307 3023878 ChemDiv3_003914 N=C1NC(=O)/C(=C\c2cc3ccccc3nc2N4CCCCC4)/S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B21 compound treatment 1.097 0.0493 1.43 1.096 0.0412 1.22 1.8702 0.9969 1543973 ChemDiv3_003915 COc1ccc2CNCCc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B22 compound treatment 1.066 0.0183 0.53 1.039 -0.0158 -0.47 0.0437 0.062 3119104 ChemDiv3_003916 CC1CCN(CN2CC(COc3ccccc3C)OC2=O)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B23 mock treatment 1.036 -0.0117 -0.34 1.059 0.00421 0.12 -0.1525 -0.4209 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 B24 mock treatment 1.072 0.0243 0.7 1.054 -7.86E-4 -0.02 0.4802 0.6833 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C01 compound treatment 1.043 -0.00475 -0.14 1.041 -0.0138 -0.41 -0.3855 -0.8961 3119105 ChemDiv3_003917 COC(=O)C1=CN(C=C(C1c2ccsc2)C(=O)OC)c3cccc(c3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C02 compound treatment 1.039 -0.00875 -0.25 1.033 -0.0218 -0.64 -0.6346 -0.9169 3023910 ChemDiv3_003918 Cn1c(=O)n(C)c2cc(/C=C/3\C(=O)NC(=S)N(CC=C)C3=O)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C03 compound treatment 1.034 -0.0137 -0.4 1.038 -0.0168 -0.5 -0.6325 -0.994 3119106 ChemDiv3_003919 CSC1=N/C(=C\c2ccccc2C)/C(=O)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C04 compound treatment 1.043 -0.00475 -0.14 1.041 -0.0138 -0.41 -0.3855 -0.8961 3119107 ChemDiv3_003920 COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C05 compound treatment 1.032 -0.0157 -0.46 1.044 -0.0108 -0.32 -0.548 -0.9847 3023911 ChemDiv3_003921 C=CCN1C(=O)/C(=C/2\S/C(=N\c3ccccc3)/N(C2=O)c4ccccc4)/c5ccccc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C06 compound treatment 1.027 -0.0208 -0.6 1.045 -0.00979 -0.29 -0.6295 -0.9439 1871099 ChemDiv3_003922 Cc1cccc(c1)N2C(=O)CC(Sc3nccc(C)n3)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C07 compound treatment 1.04 -0.00775 -0.22 1.055 2.14E-4 0.01 -0.1542 -0.6869 3023912 ChemDiv3_003923 CSC1=N/C(=C\C=C\c2cccs2)/C(=O)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C08 compound treatment 1.033 -0.0147 -0.43 1.029 -0.0258 -0.76 -0.8411 -0.9625 1871152 ChemDiv3_003924 O=C(Cc1cccs1)N2c3ccccc3Sc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C09 compound treatment 1.046 -0.00175 -0.05 1.071 0.0162 0.48 0.3031 0.6288 3023913 ChemDiv3_003925 CCSC1=N/C(=C\c2ccc(C)s2)/C(=O)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C10 compound treatment 1.025 -0.0227 -0.66 1.046 -0.00879 -0.26 -0.6496 -0.9172 3119108 ChemDiv3_003926 CCCN1C(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3)/C(=C(C#N)C1=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C11 compound treatment 1.014 -0.0337 -0.98 1.0 -0.0548 -1.62 -1.8365 -0.9707 3023914 ChemDiv3_003927 N=c1[cH-][n+](CCc2ccccc2)no1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C12 compound treatment 1.048 2.5E-4 0.01 1.083 0.0282 0.83 0.595 0.7132 1216628 ChemDiv3_003928 CCOc1cc(CN2CCN(CC2)C(=O)COc3ccc(C)cc3)ccc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C13 compound treatment 1.12 0.0723 2.09 1.12 0.0652 1.93 2.843 0.9992 3023915 ChemDiv3_003929 COc1ccc(cc1)c2nnc(Nc3cccc(c3)C(F)(F)F)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C14 compound treatment 1.08 0.0323 0.93 1.087 0.0322 0.95 1.3339 1.0 3119109 ChemDiv3_003930 COc1cccc(CNCCc2c[nH]c3ccccc23)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C15 compound treatment 1.043 -0.00475 -0.14 1.046 -0.00879 -0.26 -0.281 -0.9558 1485768 ChemDiv3_003931 CCC(=O)NC(c1ccco1)c2cc(Cl)c3cccnc3c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C16 compound treatment 1.018 -0.0297 -0.86 1.026 -0.0288 -0.85 -1.211 -1.0 1522564 ChemDiv3_003932 Cc1nc(NCCN2CCOCC2)c3sc4nc5CC(C)(C)OCc5cc4c3n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C17 compound treatment 1.028 -0.0197 -0.57 1.058 0.00321 0.1 -0.3372 -0.5816 3119239 ChemDiv3_003933 COc1ccc(cc1)C2CC(=NN2C(=O)CCN3CCOCC3)c4ccc(Br)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C18 compound treatment 1.031 -0.0168 -0.49 1.045 -0.00979 -0.29 -0.5476 -0.9695 1139781 ChemDiv3_003934 CC(C)COC(=O)c1ccc2NC(C3CC=CC3c2c1)c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C19 compound treatment 1.034 -0.0137 -0.4 1.043 -0.0118 -0.35 -0.528 -0.9978 1505314 ChemDiv3_003935 O=S1(=O)CCC(C1)N2C(=S)SC3CS(=O)(=O)C=C32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C20 compound treatment 1.046 -0.00175 -0.05 1.062 0.00721 0.21 0.115 0.5245 1867708 ChemDiv3_003936 COc1cc(COc2ccc3c4CCCc4c(=O)oc3c2)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C21 compound treatment 1.06 0.0123 0.35 1.047 -0.00779 -0.23 0.0881 0.2083 1172275 ChemDiv3_003937 CC1(CCS(=O)(=O)C1)NC(=S)Nc2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C22 compound treatment 1.055 0.00725 0.21 1.036 -0.0188 -0.56 -0.2443 -0.4114 1132860 ChemDiv3_003938 CN(C)C(=O)COc1cc2oc(=O)c3CCCc3c2cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C23 mock treatment 1.331 0.283 8.2 1.306 0.251 7.43 11.0525 0.9988 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 C24 mock treatment 1.04 -0.00775 -0.22 1.057 0.00221 0.07 -0.1124 -0.4808 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D01 compound treatment 1.028 -0.0197 -0.57 1.03 -0.0248 -0.73 -0.9226 -0.9925 3023916 ChemDiv3_003939 O=S1(=O)N=C(N(CCC#N)/N=C/c2ccccc2)c3ccccc31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D02 compound treatment 1.039 -0.00875 -0.25 1.028 -0.0268 -0.79 -0.7392 -0.889 3119240 ChemDiv3_003940 COC(=O)C/1=C(C)NC(=O)\C1=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D03 compound treatment 1.112 0.0643 1.86 1.122 0.0672 1.99 2.7209 0.9995 3023917 ChemDiv3_003941 CCC(C)N1C(=O)S/C(=C/c2ccc3n(C)c(=O)n(C)c3c2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D04 compound treatment 1.031 -0.0168 -0.49 1.04 -0.0148 -0.44 -0.6521 -0.9987 3119241 ChemDiv3_003942 [O-][n+]1cc(c2ccc(F)cc2)[n+]([O-])c3CCCc31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D05 compound treatment 1.027 -0.0208 -0.6 1.037 -0.0178 -0.53 -0.7968 -0.9978 3119242 ChemDiv3_003943 CCC(Sc1nnnn1c2ccccc2)C(=O)Nc3sc4CCCCc4c3C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D06 compound treatment 1.053 0.00525 0.15 1.051 -0.00379 -0.11 0.0284 0.1502 3023918 ChemDiv3_003944 CCCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D07 compound treatment 1.096 0.0483 1.4 1.105 0.0502 1.48 2.0379 0.9995 3119243 ChemDiv3_003945 COc1ccccc1CC(=O)Nc2ccc(cc2)c3nc4ccccc4[nH]3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D08 compound treatment 1.035 -0.0127 -0.37 1.052 -0.00279 -0.08 -0.3193 -0.8441 3023919 ChemDiv3_003946 OC(Cn1c2ccccc2c3ccccc13)C[n+]4cccc5cccc(O)c45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D09 compound treatment 1.032 -0.0157 -0.46 1.052 -0.00279 -0.08 -0.3808 -0.8215 3119244 ChemDiv3_003947 Nc1nc(SCC(=O)NCc2ccco2)c(C#N)cc1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D10 compound treatment 1.037 -0.0107 -0.31 1.096 0.0412 1.22 0.6415 0.5101 3119245 ChemDiv3_003948 COc1ccccc1N(C(=O)NCc2ccccc2)C3=NCC(C)S3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D11 compound treatment 1.068 0.0203 0.59 1.236 0.181 5.36 4.2032 0.7798 1494926 ChemDiv3_003949 Cc1ccc(cc1)c2nnc(n3cnc4cc(C)c(C)cc34)c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D12 compound treatment 1.035 -0.0127 -0.37 1.166 0.111 3.29 2.064 0.6238 1647264 ChemDiv3_003950 CCc1nc2oc(C(=O)c3ccccc3)c(N)c2c4CC(C)(C)OCc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D13 compound treatment 1.041 -0.00675 -0.2 1.186 0.131 3.88 2.605 0.6706 1516394 ChemDiv3_003951 Cc1nc(Oc2ccc(NC(=O)c3ccccc3)cc2)c4c5CCCc5sc4n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D14 compound treatment 1.123 0.0752 2.18 1.191 0.136 4.03 4.3888 0.9584 1736266 ChemDiv3_003952 CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(C)cc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D15 compound treatment 1.017 -0.0308 -0.89 1.078 0.0232 0.69 -0.1444 -0.1284 1623664 ChemDiv3_003953 C(N1CCc2ccccc2C1)n3cnc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D16 compound treatment 1.06 0.0123 0.35 1.059 0.00421 0.12 0.339 0.9015 1684726 ChemDiv3_003954 COc1ccccc1NC(=O)COc2ccc3oc4CCCCc4c3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D17 compound treatment 1.03 -0.0177 -0.51 1.034 -0.0208 -0.61 -0.798 -0.9961 1574911 ChemDiv3_003955 NC1=C(C#N)C2(C(=O)N(CC=C)c3ccccc32)c4c(O1)c5ccccc5oc4=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D18 compound treatment 1.126 0.0782 2.27 1.116 0.0612 1.81 2.8822 0.9938 1249386 ChemDiv3_003956 O=C1CC(Cc2ccccc2)C(=O)N1c3nccs3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D19 compound treatment 1.051 0.00325 0.09 1.06 0.00521 0.15 0.1756 0.972 1153670 ChemDiv3_003957 Cc1sc2nc3c4ccccc4c(NCC5CCCO5)nn3c(=O)c2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D20 compound treatment 1.103 0.0553 1.6 1.102 0.0472 1.4 2.1185 0.9977 3119246 ChemDiv3_003958 CC(=O)N1C(=N)S/C(=C/c2cc3ccccc3nc2Sc4ccccc4)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D21 compound treatment 1.272 0.224 6.49 1.318 0.263 7.78 10.0952 0.996 1736305 ChemDiv3_003959 CC(C)COc1ccc2c3CCCCc3c(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D22 compound treatment 1.048 2.5E-4 0.01 1.056 0.00121 0.04 0.0305 0.8329 3023957 ChemDiv3_003960 CC1CCN(CN2CC(Cn3c4ccccc4c5ccccc35)OC2=O)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D23 mock treatment 1.047 -7.5E-4 -0.02 1.04 -0.0148 -0.44 -0.3245 -0.7413 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 D24 mock treatment 1.046 -0.00175 -0.05 1.063 0.00821 0.24 0.1359 0.5477 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E01 compound treatment 1.044 -0.00375 -0.11 1.042 -0.0128 -0.38 -0.3441 -0.8749 3119247 ChemDiv3_003961 COC(=O)CN1C=C(C(C(=C1)C(=O)OC)c2ccc(O)cc2)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E02 compound treatment 1.044 -0.00375 -0.11 1.044 -0.0108 -0.32 -0.3023 -0.8973 3119248 ChemDiv3_003962 CCC(C)n1cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E03 compound treatment 1.044 -0.00375 -0.11 1.043 -0.0118 -0.35 -0.3232 -0.8855 3023958 ChemDiv3_003963 O=C/1N=C(S\C1=C/c2cccs2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E04 compound treatment 1.032 -0.0157 -0.46 1.053 -0.00179 -0.05 -0.3599 -0.7837 3023959 ChemDiv3_003964 O=C(CSc1nnc(COc2ccccc2)o1)NCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E05 compound treatment 1.045 -0.00275 -0.08 1.051 -0.00379 -0.11 -0.1355 -0.9861 3119249 ChemDiv3_003965 CN/1C(=N)NC(=O)\C1=C\c2cccnc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E06 compound treatment 1.042 -0.00575 -0.17 1.035 -0.0198 -0.58 -0.5314 -0.8737 1871115 ChemDiv3_003966 CC(C)(CO)NC(=O)c1sc2ccccc2c1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E07 compound treatment 1.047 -7.5E-4 -0.02 1.03 -0.0248 -0.73 -0.5335 -0.7277 3023960 ChemDiv3_003967 C(Sc1nnc-2c(OC(Nc3ccccc32)/C=C/c4ccco4)n1)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E08 compound treatment 1.046 -0.00175 -0.05 1.036 -0.0188 -0.56 -0.4286 -0.7684 3119250 ChemDiv3_003968 Cc1ccc(SCc2cc(O)nc(SCC(=O)n3c4ccccc4c5ccccc35)n2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E09 compound treatment 1.035 -0.0127 -0.37 1.072 0.0172 0.51 0.0988 0.1571 3023961 ChemDiv3_003969 CCSC1=N/C(=C\c2cccc(F)c2)/C(=O)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E10 compound treatment 1.048 2.5E-4 0.01 1.149 0.0942 2.79 1.9748 0.7089 1156555 ChemDiv3_003970 CC1CCN(CC1)C(=O)CNS(=O)(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E11 compound treatment 1.029 -0.0187 -0.54 1.182 0.127 3.76 2.2756 0.5988 1664682 ChemDiv3_003971 Cc1n[nH]c(C)c1N2C(=O)c3cccc4c(N)ccc(C2=O)c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E12 compound treatment 1.042 -0.00575 -0.17 1.147 0.0922 2.73 1.8101 0.6627 1473240 ChemDiv3_003972 O=C(N1CCN(Cc2cccnc2)CC1)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E13 compound treatment 1.117 0.0693 2.01 1.291 0.236 6.98 6.3565 0.8748 3119251 ChemDiv3_003973 CNS(=O)(=O)c1cc(ccc1C)c2nnc(Nc3ccc4OCOc4c3)c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E14 compound treatment 0.86 -0.188 -5.44 1.036 -0.0188 -0.56 -4.2375 -0.7753 1668191 ChemDiv3_003974 CCOc1ccc(CN(CCc2ccc3OCOc3c2)Cc4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E15 compound treatment 1.022 -0.0257 -0.75 1.123 0.0682 2.02 0.8988 0.418 1243341 ChemDiv3_003975 COc1ccc2cc(C3CC(=NN3C(=O)c4ccco4)c5ccc(OC)c(OC)c5)c(Cl)nc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E16 compound treatment 1.101 0.0532 1.54 1.09 0.0352 1.04 1.8267 0.9817 3023962 ChemDiv3_003976 Fc1ccc(Nc2nc3ccccc3nc2Nc4ccc(F)cc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E17 compound treatment 1.047 -7.5E-4 -0.02 1.033 -0.0218 -0.64 -0.4708 -0.7305 1173393 ChemDiv3_003977 CC(C)N(C(=O)Cn1c2ccccc2c3nc4ccccc4nc13)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E18 compound treatment 1.046 -0.00175 -0.05 1.043 -0.0118 -0.35 -0.2822 -0.8015 3023963 ChemDiv3_003978 OC(C#CCN1CCOCC1)c2cccs2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E19 compound treatment 1.088 0.0403 1.17 1.07 0.0152 0.45 1.1423 0.9143 3119252 ChemDiv3_003979 CCN(CC)C(=S)SC1=CCS(=O)(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E20 compound treatment 1.051 0.00325 0.09 1.049 -0.00579 -0.17 -0.0544 -0.2786 1158512 ChemDiv3_003980 COc1ccc2c(c1)c(=O)oc3cc(OC(C)C)ccc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E21 compound treatment 1.048 2.5E-4 0.01 1.042 -0.0128 -0.38 -0.2622 -0.6934 3119253 ChemDiv3_003981 CC12CS(=O)(=O)CC2SC(=S)N1Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E22 compound treatment 1.015 -0.0328 -0.95 1.015 -0.0398 -1.18 -1.5024 -0.9943 1357925 ChemDiv3_003982 CN(C)C(=O)COc1cc(C)cc2oc(=O)c3CCCCc3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E23 mock treatment 1.053 0.00525 0.15 1.049 -0.00579 -0.17 -0.0134 -0.0588 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 E24 mock treatment 1.026 -0.0217 -0.63 1.038 -0.0168 -0.5 -0.7963 -0.993 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F01 compound treatment 1.03 -0.0177 -0.51 1.039 -0.0158 -0.47 -0.6935 -0.9988 3023964 ChemDiv3_003983 CN1C(=O)/C(=C/c2ccc(o2)c3ccc(Cl)cc3)/C(=C(C#N)C1=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F02 compound treatment 1.04 -0.00775 -0.22 1.029 -0.0258 -0.76 -0.6978 -0.878 3119382 ChemDiv3_003984 O=C(NC1=NCCS1)c2cc3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F03 compound treatment 1.045 -0.00275 -0.08 1.045 -0.00979 -0.29 -0.2609 -0.8694 1627858 ChemDiv3_003985 CN(C)c1ccc2nc3C(=O)c4ccccc4C(=O)c3nc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F04 compound treatment 1.03 -0.0177 -0.51 1.026 -0.0288 -0.85 -0.9653 -0.9708 3119383 ChemDiv3_003986 CC1=[N+]([O-])C(C)(C)[N+](=C1c2ccc(C)cc2)[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F05 compound treatment 1.028 -0.0197 -0.57 1.046 -0.00879 -0.26 -0.5881 -0.9362 3119384 ChemDiv3_003987 COC(=O)c1ccc(NC(=O)CC2Sc3ccc(cc3NC2=O)C(F)(F)F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F06 compound treatment 1.045 -0.00275 -0.08 1.033 -0.0218 -0.64 -0.5118 -0.7885 3023965 ChemDiv3_003988 CC(C)Cc1c(O)nc(SCC(=O)NC(C)(C)C)[nH]c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F07 compound treatment 1.07 0.0223 0.64 1.056 0.00121 0.04 0.481 0.7453 3119385 ChemDiv3_003989 Cc1ccccc1OCC(=O)Nc2cccc(c2)c3nnc(o3)c4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F08 compound treatment 1.04 -0.00775 -0.22 1.047 -0.00779 -0.23 -0.3215 -0.9999 3023966 ChemDiv3_003990 COC(=O)c1c(C)c(=O)[nH]c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F09 compound treatment 1.051 0.00325 0.09 1.052 -0.00279 -0.08 0.0083 0.0665 1509397 ChemDiv3_003991 Fc1ccc(cc1)C(=O)Nc2ncnc3sc4CCCCCc4c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F10 compound treatment 1.042 -0.00575 -0.17 1.088 0.0332 0.98 0.5766 0.5789 3023967 ChemDiv3_003992 FC(F)(F)C1(N=C(OC(=N1)c2ccccc2)N3CCCCC3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F11 compound treatment 1.183 0.135 3.92 1.252 0.197 5.83 6.8928 0.9813 1229183 ChemDiv3_003993 Cc1sc2nc3c4ccccc4c(NCCO)nn3c(=O)c2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F12 compound treatment 1.002 -0.0457 -1.32 1.201 0.146 4.32 2.1199 0.4689 1299234 ChemDiv3_003994 COC(=O)c1c(N)n(CCc2ccccc2)c3nc4ccccc4nc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F13 compound treatment 1.046 -0.00175 -0.05 1.199 0.144 4.26 2.9792 0.6987 1319064 ChemDiv3_003995 Cc1ccc(Oc2nnc(c3cccs3)c4ccccc24)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F14 compound treatment 1.059 0.0113 0.33 1.195 0.14 4.15 3.1618 0.7603 3119386 ChemDiv3_003996 Cc1cccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F15 compound treatment 1.045 -0.00275 -0.08 1.095 0.0402 1.19 0.7844 0.6583 3023968 ChemDiv3_003997 Cn1nc(CC(=O)Nc2nc(cs2)c3ccccc3)c4ccccc4c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F16 compound treatment 1.103 0.0553 1.6 1.093 0.0382 1.13 1.9304 0.9855 3119387 ChemDiv3_003998 COc1ccc(/N=C/c2c(O)ccc3oc4CCCCc4c23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F17 compound treatment 1.047 -7.5E-4 -0.02 1.055 2.14E-4 0.01 -0.0109 -0.4808 1229320 ChemDiv3_003999 CCOC(=O)CN1C(=O)C2(C(=C(N)OC3=C2C(=O)CC(C)(C)C3)C(=O)OCC)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F18 compound treatment 1.214 0.166 4.81 1.218 0.163 4.83 6.8168 1.0 1796400 ChemDiv3_004000 COc1ccc(CCn2cnc3sc4CCCCc4c3c2=N)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F19 compound treatment 1.046 -0.00175 -0.05 1.04 -0.0148 -0.44 -0.345 -0.7838 1598055 ChemDiv3_004001 Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c(C)n1Cc5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F20 compound treatment 1.208 0.16 4.64 1.185 0.13 3.85 6.004 0.9957 3024019 ChemDiv3_004002 CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3nc2O)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F21 compound treatment 1.113 0.0653 1.89 1.118 0.0632 1.87 2.6578 1.0 1409929 ChemDiv3_004003 Cn1nc(C(=O)O)c2ccccc2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F22 compound treatment 1.063 0.0153 0.44 1.055 2.14E-4 0.01 0.3168 0.7172 1387840 ChemDiv3_004004 CCOC(=O)Cc1c(C)nc(Cc2ccc(OC(C)C)cc2)nc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F23 mock treatment 1.055 0.00725 0.21 1.051 -0.00379 -0.11 0.0693 0.2913 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 F24 mock treatment 1.059 0.0113 0.33 1.057 0.00221 0.07 0.2767 0.8326 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G01 compound treatment 1.034 -0.0137 -0.4 1.031 -0.0238 -0.7 -0.7789 -0.9637 3119388 ChemDiv3_004005 COC(=O)C1=CN(C=C(C1c2ccccc2)C(=O)OC)C3CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G02 compound treatment 1.024 -0.0237 -0.69 1.022 -0.0328 -0.97 -1.1718 -0.9859 3024021 ChemDiv3_004006 Cc1cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c(C)n1c3ccccn3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G03 compound treatment 1.096 0.0483 1.4 1.085 0.0302 0.89 1.6198 0.9766 3119389 ChemDiv3_004007 c1ccc2sc(nc2c1)c3cccc(n3)c4nc5ccccc5s4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G04 compound treatment 1.036 -0.0117 -0.34 1.043 -0.0118 -0.35 -0.487 -0.9999 3119390 ChemDiv3_004008 COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G05 compound treatment 1.05 0.00225 0.07 1.056 0.00121 0.04 0.0715 0.9606 3024022 ChemDiv3_004009 COc1ccc(/C=C/C=N/n2c(SC)nnc2c3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G06 compound treatment 0.94 -0.108 -3.12 0.936 -0.119 -3.51 -4.6899 -0.9983 1871125 ChemDiv3_004010 Cc1c(C)c2ccccc2n1C(=O)CSc3nc4ccccc4s3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G07 compound treatment 1.077 0.0293 0.85 1.076 0.0212 0.63 1.0425 0.9891 1673764 ChemDiv3_004011 CC(=O)N1C(Oc2nc(SCC=C)nnc2-c3ccccc13)c4ccc(o4)c5ccc(F)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G08 compound treatment 1.038 -0.00975 -0.28 1.024 -0.0308 -0.91 -0.8433 -0.8849 3119391 ChemDiv3_004012 COc1ccc(NC(=O)C2CC(=O)N=C(Nc3ccccc3)S2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G09 compound treatment 1.029 -0.0187 -0.54 1.026 -0.0288 -0.85 -0.9858 -0.9764 1613829 ChemDiv3_004013 CCSc1nnc(c(O)n1)c2ccccc2NC(=O)CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G10 compound treatment 1.038 -0.00975 -0.28 1.055 2.14E-4 0.01 -0.1952 -0.6911 1558726 ChemDiv3_004014 CC(C)(C)NC(=O)N1c2ccccc2Sc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G11 compound treatment 1.035 -0.0127 -0.37 1.209 0.154 4.56 2.963 0.6477 3119392 ChemDiv3_004015 Cc1nn(C)c(C)c1NC(=O)c2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G12 compound treatment 1.014 -0.0337 -0.98 1.115 0.0602 1.78 0.5677 0.2795 1465103 ChemDiv3_004016 CCc1ccc(CN2CCN(Cc3cccc(OC)c3)CC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G13 compound treatment 1.135 0.0873 2.53 1.291 0.236 6.98 6.7251 0.9055 3119393 ChemDiv3_004017 CCNS(=O)(=O)c1cc(ccc1C)c2nnc(Nc3ccc(F)cc3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G14 compound treatment 1.039 -0.00875 -0.25 1.101 0.0462 1.37 0.787 0.5663 1303056 ChemDiv3_004018 CC(C)(C)NC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c3ccccc13)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G15 compound treatment 1.027 -0.0208 -0.6 1.033 -0.0218 -0.64 -0.8804 -0.9994 1692964 ChemDiv3_004019 CCC(=O)N1N=C(CC1c2cc3cc(OC)ccc3nc2Cl)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G16 compound treatment 1.042 -0.00575 -0.17 1.031 -0.0238 -0.7 -0.615 -0.851 1699942 ChemDiv3_004020 Brc1ccc(cc1)C2NC(=O)c3ccccc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G17 compound treatment 1.048 2.5E-4 0.01 1.04 -0.0148 -0.44 -0.304 -0.6953 3024023 ChemDiv3_004021 CC(=O)OC1CCS(=O)(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G18 compound treatment 1.043 -0.00475 -0.14 1.036 -0.0188 -0.56 -0.49 -0.8564 3119394 ChemDiv3_004022 CCCc1n[nH]c2OC(=C(C#N)C(CCc3ccccc3)c12)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G19 compound treatment 1.053 0.00525 0.15 1.063 0.00821 0.24 0.2792 0.9746 3024024 ChemDiv3_004023 CC1(CCS(=O)(=O)C1)NC(=S)NCC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G20 compound treatment 1.061 0.0133 0.38 1.049 -0.00579 -0.17 0.1504 0.3579 1713974 ChemDiv3_004024 Oc1cc(OCC(=O)c2ccccc2)cc3oc(cc(=O)c13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G21 compound treatment 1.037 -0.0107 -0.31 1.041 -0.0138 -0.41 -0.5084 -0.9912 1338699 ChemDiv3_004025 CCCCN(C1CCS(=O)(=O)C1)C(=O)Nc2cccc3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G22 compound treatment 1.168 0.12 3.48 1.148 0.0932 2.76 4.4113 0.9933 1306939 ChemDiv3_004026 Cc1c(OC(=O)c2ccco2)ccc3c4CCCc4c(=O)oc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G23 mock treatment 1.024 -0.0237 -0.69 1.04 -0.0148 -0.44 -0.7955 -0.9761 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 G24 mock treatment 1.218 0.17 4.93 1.264 0.209 6.19 7.8604 0.9937 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H01 compound treatment 1.035 -0.0127 -0.37 1.016 -0.0388 -1.15 -1.072 -0.8898 3119395 ChemDiv3_004027 CC(C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H02 compound treatment 1.04 -0.00775 -0.22 1.036 -0.0188 -0.56 -0.5515 -0.9205 3024025 ChemDiv3_004028 Cc1c(c2ccco2)[n+]([O-])c(c(C)[n+]1[O-])c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H03 compound treatment 1.032 -0.0157 -0.46 1.04 -0.0148 -0.44 -0.6317 -0.9998 3119396 ChemDiv3_004029 C/C(=N\O)/CCc1oc2ccccc2c1c3ccc(C)o3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H04 compound treatment 1.05 0.00225 0.07 1.033 -0.0218 -0.64 -0.4094 -0.6323 3024026 ChemDiv3_004030 CC1N(O)C(C)(C)[N+](=C1c2ccccc2)[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H05 compound treatment 1.087 0.0393 1.14 1.085 0.0302 0.89 1.4354 0.9929 3024027 ChemDiv3_004031 CC(=O)N/C(=C\c1cccs1)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H06 compound treatment 1.028 -0.0197 -0.57 1.056 0.00121 0.04 -0.3791 -0.6614 3119397 ChemDiv3_004032 CCSc1nc(O)c(C(C)CC)c(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H07 compound treatment 1.053 0.00525 0.15 1.053 -0.00179 -0.05 0.0702 0.436 1130593 ChemDiv3_004033 O=C(Cc1ccccc1)Nc2cccc(c2)S(=O)(=O)c3cccc(NC(=O)Cc4ccccc4)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H08 compound treatment 1.064 0.0163 0.47 1.038 -0.0168 -0.5 -0.0182 -0.0265 3024028 ChemDiv3_004034 CCOC(=O)c1nn(c(C#N)c1NC(=O)c2nn(CC)cc2Br)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H09 compound treatment 1.021 -0.0268 -0.77 1.034 -0.0208 -0.61 -0.9824 -0.9934 1423488 ChemDiv3_004035 COc1cc2c(cc1NP(=O)(C)Oc3ccccc3)oc4ccccc42 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H10 compound treatment 1.019 -0.0288 -0.83 1.043 -0.0118 -0.35 -0.8351 -0.9253 3024029 ChemDiv3_004036 COc1ccc(Cl)cc1NC2=NCC(C)S2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H11 compound treatment 1.23 0.182 5.28 1.254 0.199 5.89 7.897 0.9985 1247540 ChemDiv3_004037 CC1CCN(CC1)c2nn3c(=O)c4c(C)c(C)sc4nc3c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H12 compound treatment 1.047 -7.5E-4 -0.02 1.145 0.0902 2.67 1.8707 0.7013 1685422 ChemDiv3_004038 CCOC(=O)c1c(N)n(C2CCCCC2)c3nc4ccccc4nc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H13 compound treatment 1.045 -0.00275 -0.08 1.121 0.0662 1.96 1.328 0.6778 1241398 ChemDiv3_004039 C1CCCN(CC1)c2nnc(c3cccs3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H14 compound treatment 1.064 0.0163 0.47 1.084 0.0292 0.86 0.9435 0.9592 3119548 ChemDiv3_004040 CCc1ccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H15 compound treatment 1.023 -0.0248 -0.72 1.033 -0.0218 -0.64 -0.9623 -0.9986 3024030 ChemDiv3_004041 O=C(Oc1ccc(cc1)N(Cc2cccs2)C3=NS(=O)(=O)c4ccccc34)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H16 compound treatment 1.071 0.0233 0.67 1.054 -7.86E-4 -0.02 0.4597 0.6823 3119549 ChemDiv3_004042 Oc1ccc2oc3CCCCc3c2c1/C=N/N4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H17 compound treatment 1.053 0.00525 0.15 1.034 -0.0208 -0.61 -0.327 -0.5166 1705908 ChemDiv3_004043 CCOC(=O)CN1C(=O)C2(C(=C(N)Oc3[nH]nc(C)c32)C#N)c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H18 compound treatment 1.024 -0.0237 -0.69 1.05 -0.00479 -0.14 -0.5864 -0.8351 3024031 ChemDiv3_004044 COc1ccc(CCn2cnc3oc(c(c4ccccc4)c3c2=N)c5ccccc5)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H19 compound treatment 1.015 -0.0328 -0.95 1.016 -0.0388 -1.15 -1.4815 -0.9956 3119550 ChemDiv3_004045 Cc1nc(SC2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)c4c5CCCCc5sc4n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H20 compound treatment 1.148 0.1 2.9 1.148 0.0932 2.76 4.0017 0.9997 3442340 ChemDiv3_004046 CC(C)CC(Nc1ncnc2sc3CCCc3c12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H21 compound treatment 1.107 0.0592 1.72 1.086 0.0312 0.92 1.8659 0.9577 3024084 ChemDiv3_004047 COC(=O)/C=c/1\sc2ncnn2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H22 compound treatment 1.065 0.0173 0.5 1.064 0.00921 0.27 0.5459 0.9593 1470170 ChemDiv3_004048 Nc1cc(=O)nc(SCC(=O)NCc2ccccc2)n1c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H23 mock treatment 1.059 0.0113 0.33 1.073 0.0182 0.54 0.6112 0.971 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 H24 mock treatment 1.048 2.5E-4 0.01 1.045 -0.00979 -0.29 -0.1995 -0.6892 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I01 compound treatment 1.027 -0.0208 -0.6 1.013 -0.0418 -1.24 -1.2985 -0.9452 3024085 ChemDiv3_004049 Cc1[n+](CC=C)n(C)c2cc(Cl)c(Cl)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I02 compound treatment 1.019 -0.0288 -0.83 1.04 -0.0148 -0.44 -0.8979 -0.9548 3119551 ChemDiv3_004050 COCCn1c(C)cc(/C=C/2\C(=O)NC(=S)N(CC=C)C2=O)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I03 compound treatment 1.023 -0.0248 -0.72 1.027 -0.0278 -0.82 -1.0877 -0.9977 1185967 ChemDiv3_004051 CCSc1nnc-2c(OC(Nc3ccccc32)c4cc5OCOc5cc4Cl)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I04 compound treatment 1.022 -0.0257 -0.75 1.02 -0.0348 -1.03 -1.2546 -0.9875 3119552 ChemDiv3_004052 COc1ccc(Cl)c(NC2=NC(=O)/C(=C\c3cccnc3)/S2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I05 compound treatment 0.966 -0.0818 -2.37 0.952 -0.103 -3.04 -3.823 -0.9924 1528287 ChemDiv3_004053 CSc1nnc-2c(OC(C)N(C(=O)C)c3ccccc32)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I06 compound treatment 1.029 -0.0187 -0.54 1.024 -0.0308 -0.91 -1.0276 -0.9695 1788578 ChemDiv3_004054 O=C(CSc1nnc(o1)c2ccccc2)N3c4ccccc4CCc5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I07 compound treatment 1.007 -0.0408 -1.18 1.018 -0.0368 -1.09 -1.6036 -0.9992 3024086 ChemDiv3_004055 COC(=O)C1=C(C)NC(=S)NC1c2cc3OCOc3cc2Br 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I08 compound treatment 1.045 -0.00275 -0.08 1.034 -0.0208 -0.61 -0.4909 -0.7921 3119553 ChemDiv3_004056 FC(F)(F)c1cccc(c1)n2c(=O)oc3ccc(Cl)cc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I09 compound treatment 1.034 -0.0137 -0.4 1.021 -0.0338 -1.0 -0.9879 -0.9187 3119554 ChemDiv3_004057 CCc1ccc2NC(=O)/C(=C/3\S\C(=N/c4cccc(Cl)c4C)\NC3=O)/c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I10 compound treatment 1.022 -0.0257 -0.75 1.028 -0.0268 -0.79 -1.0873 -0.9995 1437793 ChemDiv3_004058 O=C(NCCc1ccccc1)N2c3ccccc3Sc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I11 compound treatment 1.046 -0.00175 -0.05 1.045 -0.00979 -0.29 -0.2404 -0.8185 3119555 ChemDiv3_004059 COC(=O)c1cc2c(C)nn(c3ccccc3)c2s1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I12 compound treatment 1.074 0.0263 0.76 1.104 0.0492 1.46 1.5665 0.9542 1679546 ChemDiv3_004060 CCc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I13 compound treatment 1.087 0.0393 1.14 1.124 0.0692 2.05 2.2508 0.9615 3119556 ChemDiv3_004061 CCNS(=O)(=O)c1cc(ccc1C)c2nnc(OC)c3ccccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I14 compound treatment 1.021 -0.0268 -0.77 1.022 -0.0328 -0.97 -1.2332 -0.9938 3024087 ChemDiv3_004062 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I15 compound treatment 1.026 -0.0217 -0.63 1.04 -0.0148 -0.44 -0.7545 -0.9841 1737307 ChemDiv3_004063 O=C(N1N=C(CC1c2ccc3nccnc3c2)c4ccccc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I16 compound treatment 0.925 -0.123 -3.55 0.861 -0.194 -5.73 -6.5651 -0.9737 3024088 ChemDiv3_004064 NC(=N)SCC1CN=C(S1)N2CCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I17 compound treatment 0.987 -0.0607 -1.76 0.989 -0.0658 -1.95 -2.6194 -0.9987 1449842 ChemDiv3_004065 CNC(=S)NC1CCS(=O)(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I18 compound treatment 1.011 -0.0368 -1.06 1.018 -0.0368 -1.09 -1.5216 -0.9999 3119557 ChemDiv3_004066 CCCOc1ccc(cc1OCC)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I19 compound treatment 1.038 -0.00975 -0.28 1.029 -0.0258 -0.76 -0.7388 -0.9087 3024089 ChemDiv3_004067 CCCC(NC1CCS(=O)(=O)C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I20 compound treatment 1.028 -0.0197 -0.57 1.031 -0.0238 -0.7 -0.9017 -0.9947 1874878 ChemDiv3_004068 COc1ccc2c(c1)c(=O)oc3c(C)c(OC(C(=O)O)c4ccccc4)ccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I21 compound treatment 1.027 -0.0208 -0.6 1.019 -0.0358 -1.06 -1.1731 -0.9641 1557945 ChemDiv3_004069 CCc1ccccc1NC(=O)CC2CS(=O)(=O)CC2CC(=O)Nc3ccccc3CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I22 compound treatment 0.936 -0.112 -3.24 0.945 -0.11 -3.25 -4.5837 -1.0 3024090 ChemDiv3_004070 Cc1cc(OC(=O)c2cccs2)c3c4CCCc4c(=O)oc3c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I23 mock treatment 1.071 0.0233 0.67 1.085 0.0302 0.89 1.1078 0.9903 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 I24 mock treatment 1.165 0.117 3.4 1.235 0.18 5.33 6.1687 0.9763 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J01 compound treatment 1.004 -0.0437 -1.27 1.016 -0.0388 -1.15 -1.7068 -0.9988 3024091 ChemDiv3_004071 CC(C)N1C(=O)S/C(=C/c2cc(C)n(c2C)c3ccncc3)/C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J02 compound treatment 1.02 -0.0277 -0.8 1.024 -0.0308 -0.91 -1.2119 -0.9981 3119558 ChemDiv3_004072 CC(=O)OC1CCC(OC(=O)C)c2c1[n+]([O-])c(C)c(C)[n+]2[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J03 compound treatment 1.015 -0.0328 -0.95 1.026 -0.0288 -0.85 -1.2725 -0.9985 3024092 ChemDiv3_004073 S=c1cc(oc(c1)c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J04 compound treatment 1.023 -0.0248 -0.72 1.023 -0.0318 -0.94 -1.1714 -0.9911 3119559 ChemDiv3_004074 Cc1c(c2ccccc2)[n+]([O-])c(c(C)[n+]1[O-])c3ccc(Br)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J05 compound treatment 1.01 -0.0377 -1.09 1.05 -0.00479 -0.14 -0.8731 -0.792 1128591 ChemDiv3_004075 COc1ccc(CC(=O)Nc2cccc(c2)c3nc4cc5ccccc5cc4[nH]3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J06 compound treatment 1.038 -0.00975 -0.28 1.027 -0.0278 -0.82 -0.7806 -0.8986 1255030 ChemDiv3_004076 COc1ccc(cc1OC)C2C(c3cc(OC)c(OC)cc3C2=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J07 compound treatment 1.04 -0.00775 -0.22 1.047 -0.00779 -0.23 -0.3215 -0.9999 3119560 ChemDiv3_004077 O=C(Nc1cccc(c1)c2nc3ccccc3c(=O)o2)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J08 compound treatment 1.045 -0.00275 -0.08 1.046 -0.00879 -0.26 -0.24 -0.8833 3024093 ChemDiv3_004078 CCOC(=O)c1nn(c(C(=O)OCC)c1NC(=O)C2CCCCC2)c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J09 compound treatment 1.02 -0.0277 -0.8 1.023 -0.0318 -0.94 -1.2328 -0.997 1215988 ChemDiv3_004079 OC(=O)c1c2CC(CCc2nc3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J10 compound treatment 1.025 -0.0227 -0.66 1.033 -0.0218 -0.64 -0.9213 -0.9999 3119561 ChemDiv3_004080 CC1CN=C(S1)N(C(=O)Nc2ccccc2)c3cccc(c3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J11 compound treatment 1.144 0.0962 2.79 1.122 0.0672 1.99 3.3763 0.9862 1549011 ChemDiv3_004081 Cc1ccc(cc1)c2nn3c(=O)c4ccccc4nc3c5ccccc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J12 compound treatment 1.116 0.0683 1.98 1.061 0.00621 0.18 1.5276 0.7695 1317257 ChemDiv3_004082 CCc1ccc(cc1)n2c(N)c(C(=O)OC)c3nc4ccccc4nc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J13 compound treatment 1.038 -0.00975 -0.28 1.05 -0.00479 -0.14 -0.2997 -0.949 3024094 ChemDiv3_004083 O=C(CSc1ncnc2sc(cc12)c3ccccc3)c4ccc5OCCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J14 compound treatment 1.023 -0.0248 -0.72 1.039 -0.0158 -0.47 -0.8369 -0.9784 3119562 ChemDiv3_004084 FC(F)(F)c1cccc(N/C=C\2/C(=O)N(C(=O)c3ccccc23)c4ccccc4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J15 compound treatment 1.007 -0.0408 -1.18 1.024 -0.0308 -0.91 -1.4781 -0.9918 1305983 ChemDiv3_004085 CCCN1CC=C2C(C1)C3(C(=O)Nc4ccccc43)C(C#N)(C#N)C(=C2C#N)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J16 compound treatment 1.029 -0.0187 -0.54 1.043 -0.0118 -0.35 -0.6304 -0.977 1458619 ChemDiv3_004086 CC(C)(C)c1nc2scc(c3ccccc3)c2c(=O)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J17 compound treatment 1.045 -0.00275 -0.08 1.038 -0.0168 -0.5 -0.4072 -0.8102 1274153 ChemDiv3_004087 CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C41C(=O)N(CC(=O)OC)c5ccccc54 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J18 compound treatment 1.081 0.0333 0.96 1.076 0.0212 0.63 1.1244 0.9784 1393431 ChemDiv3_004088 CCn1c(=O)c2c(-c3ccccc3CC42CCCCC4)n5c(SCC(=O)N)nnc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J19 compound treatment 1.032 -0.0157 -0.46 1.039 -0.0158 -0.47 -0.6526 -0.9999 3119696 ChemDiv3_004089 CCN(CC)C(=O)O[n+]1cccc(CC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J20 compound treatment 1.195 0.147 4.26 1.217 0.162 4.8 6.4068 0.9983 3119697 ChemDiv3_004090 C=CCN1C(=C(OC(=O)c2ccccc2)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J21 compound treatment 1.039 -0.00875 -0.25 1.031 -0.0238 -0.7 -0.6765 -0.9049 1423420 ChemDiv3_004091 Cc1cc(C)n(n1)c2nnc(C)n2NC(=S)NCC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J22 compound treatment 1.014 -0.0337 -0.98 1.034 -0.0208 -0.61 -1.1257 -0.975 3119698 ChemDiv3_004092 COC(=O)/C=C/1\N(C(=NC1=O)Nc2nc(C)cc(C)n2)c3cccc(C)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J23 mock treatment 1.043 -0.00475 -0.14 1.085 0.0302 0.89 0.5344 0.5912 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 J24 mock treatment 1.141 0.0933 2.7 1.154 0.0992 2.93 3.9838 0.9991 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K01 compound treatment 1.033 -0.0147 -0.43 1.036 -0.0188 -0.56 -0.6948 -0.9916 3023297 ChemDiv3_004093 Oc1cc(C2C(=O)c3ccccc3C2=O)c4ccc5ccccc5c4n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K02 compound treatment 1.033 -0.0147 -0.43 1.017 -0.0378 -1.12 -1.092 -0.913 3119699 ChemDiv3_004094 COCCn1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K03 compound treatment 1.031 -0.0168 -0.49 1.026 -0.0288 -0.85 -0.9448 -0.9645 1169810 ChemDiv3_004095 CSc1nnc-2c(OC(Nc3ccccc32)c4ccccc4)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K04 compound treatment 1.024 -0.0237 -0.69 1.033 -0.0218 -0.64 -0.9418 -0.9995 3119700 ChemDiv3_004096 OC(=O)c1ccc(cc1)c2ccc(/C=C\3/SC(=NC3=O)Nc4cccc(c4)C(=O)O)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K05 compound treatment 1.049 0.00125 0.04 1.052 -0.00279 -0.08 -0.0326 -0.3628 3119701 ChemDiv3_004097 CC/1=NN(C(=O)\C1=C/Nc2cc(C)ccn2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K06 compound treatment 1.012 -0.0357 -1.04 0.997 -0.0578 -1.71 -1.9402 -0.9712 1871177 ChemDiv3_004098 COc1ccc(Nc2nc(N)nc(CN3CCCCC3)n2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K07 compound treatment 1.034 -0.0137 -0.4 1.054 -7.86E-4 -0.02 -0.298 -0.7471 3119702 ChemDiv3_004099 CN/1C(=N)NC(=O)\C1=C\c2ccc(C)s2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K08 compound treatment 1.037 -0.0107 -0.31 1.052 -0.00279 -0.08 -0.2784 -0.8644 3023298 ChemDiv3_004100 COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K09 compound treatment 1.053 0.00525 0.15 1.048 -0.00679 -0.2 -0.0344 -0.1365 3119703 ChemDiv3_004101 CCOc1cc(/C=C/2\C(=O)Nc3ccc(Br)cc23)ccc1OCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K10 compound treatment 1.026 -0.0217 -0.63 1.047 -0.00779 -0.23 -0.6082 -0.9069 1400389 ChemDiv3_004102 CCOC(=O)C1CCN(CC1)C(=O)N2c3ccccc3Sc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K11 compound treatment 1.068 0.0203 0.59 1.083 0.0282 0.83 1.0045 0.9851 1679244 ChemDiv3_004103 Cc1ccc(Nc2nc(C)cc(C)c2C(=O)N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K12 compound treatment 1.045 -0.00275 -0.08 1.04 -0.0148 -0.44 -0.3654 -0.8224 1721188 ChemDiv3_004104 CCCS(=O)(=O)N1CCN(CC1)C2CCN(CC2)C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K13 compound treatment 1.082 0.0343 0.99 1.061 0.00621 0.18 0.8313 0.8241 1612458 ChemDiv3_004105 CCn1c2ccccc2c3cc(NS(=O)(=O)c4ccccc4)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K14 compound treatment 1.024 -0.0237 -0.69 1.039 -0.0158 -0.47 -0.8164 -0.9822 1300482 ChemDiv3_004106 CN1C(=C(N2CCOCC2)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K15 compound treatment 1.039 -0.00875 -0.25 1.017 -0.0378 -1.12 -0.9692 -0.846 3023329 ChemDiv3_004107 COc1ccc(cc1)C2=NN(C(C2)c3ccccc3OC)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K16 compound treatment 1.072 0.0243 0.7 1.105 0.0502 1.48 1.5464 0.9416 3119704 ChemDiv3_004108 NC1(N)OC(CN2C(=O)c3ccccc3C2=O)CS1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K17 compound treatment 1.06 0.0123 0.35 1.05 -0.00479 -0.14 0.1508 0.3948 1697884 ChemDiv3_004109 CCOC(=O)NC1CS(=O)(=O)C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K18 compound treatment 1.008 -0.0398 -1.15 0.999 -0.0558 -1.65 -1.9803 -0.9845 3119705 ChemDiv3_004110 CCN1C2=C(C(C3=C1CC(C)(C)CC3=O)c4ccc(OC)cc4)C(=O)CC(C)(C)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K19 compound treatment 1.046 -0.00175 -0.05 1.037 -0.0178 -0.53 -0.4077 -0.7717 1179086 ChemDiv3_004111 O=S1(=O)CCC(C1)NC(=S)N2CCCCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K20 compound treatment 1.031 -0.0168 -0.49 1.036 -0.0188 -0.56 -0.7358 -0.9977 3119706 ChemDiv3_004112 CCCN1Cc2cccc(C(=O)N)c2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K21 compound treatment 1.17 0.122 3.54 1.172 0.117 3.47 4.954 0.9999 1541504 ChemDiv3_004113 CC(C)NC(=S)SC1CS(=O)(=O)C=C1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K22 compound treatment 1.032 -0.0157 -0.46 1.033 -0.0218 -0.64 -0.778 -0.9857 1280043 ChemDiv3_004114 Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K23 mock treatment 1.032 -0.0157 -0.46 1.013 -0.0418 -1.24 -1.1961 -0.9082 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 K24 mock treatment 1.02 -0.0277 -0.8 1.02 -0.0348 -1.03 -1.2955 -0.9926 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L01 compound treatment 1.023 -0.0248 -0.72 1.011 -0.0438 -1.29 -1.4222 -0.9611 3119707 ChemDiv3_004115 COCCN1C(=O)N(C(=O)/C(=C\c2cn(CC(=O)OC)c3ccccc23)/C1=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L02 compound treatment 1.018 -0.0297 -0.86 1.013 -0.0418 -1.24 -1.4828 -0.9845 3023337 ChemDiv3_004116 CC1=[N+]([O-])C(C)(C)C(=[N+]1[O-])c2ccc(C)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L03 compound treatment 1.005 -0.0428 -1.24 1.002 -0.0528 -1.56 -1.979 -0.9934 3119708 ChemDiv3_004117 CCOc1ccc(cc1c2nc(=O)c3n(C)nc(c3[nH]2)C(C)(C)C)S(=O)(=O)NCc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L04 compound treatment 1.03 -0.0177 -0.51 1.043 -0.0118 -0.35 -0.6099 -0.9821 3023341 ChemDiv3_004118 [O-][n+]1cc(c2ccccc2)[n+]([O-])c3CCCCc31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L05 compound treatment 1.048 2.5E-4 0.01 1.072 0.0172 0.51 0.365 0.7171 3023342 ChemDiv3_004119 CC(C)C(=O)Nc1cccc(c1)c2nc3ccccc3c(=O)o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L06 compound treatment 1.022 -0.0257 -0.75 1.04 -0.0148 -0.44 -0.8364 -0.9676 3119709 ChemDiv3_004120 CCc1ccc(OCCCn2cc(/C=C\3/C(=N)N4C=CSC4=NC3=O)c5ccccc25)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L07 compound treatment 1.041 -0.00675 -0.2 1.049 -0.00579 -0.17 -0.2592 -0.9978 3023344 ChemDiv3_004121 CCSc1ncnc2c3cc4COC(C)(C)Cc4nc3sc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L08 compound treatment 1.092 0.0443 1.28 1.103 0.0482 1.43 1.9142 0.9986 1713113 ChemDiv3_004122 O=S1(=O)C=C(SCCN2CCOCC2)c3ccccc31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L09 compound treatment 1.08 0.0323 0.93 1.079 0.0242 0.72 1.1667 0.9914 3023346 ChemDiv3_004123 CN(C)c1oc(nc1C#N)c2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L10 compound treatment 1.062 0.0143 0.41 1.049 -0.00579 -0.17 0.1709 0.3825 3119710 ChemDiv3_004124 CCC1(COC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)COC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L11 compound treatment 1.017 -0.0308 -0.89 1.031 -0.0238 -0.7 -1.127 -0.9932 1380020 ChemDiv3_004125 CCC1CCc2c(C1)sc3ncnc(N4CCOCC4)c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L12 compound treatment 1.069 0.0213 0.62 1.037 -0.0178 -0.53 0.0633 0.0782 1709855 ChemDiv3_004126 CCOc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L13 compound treatment 1.039 -0.00875 -0.25 1.033 -0.0218 -0.64 -0.6346 -0.9169 1688543 ChemDiv3_004127 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N2CCN(CC2)c3ncnc4sc5CCCCc5c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L14 compound treatment 1.016 -0.0317 -0.92 1.052 -0.00279 -0.08 -0.7084 -0.7674 1554741 ChemDiv3_004128 COc1ccc2n(CCc3ccc(OC)c(OC)c3)c(C)c(C(=O)O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L15 compound treatment 1.043 -0.00475 -0.14 1.045 -0.00979 -0.29 -0.3019 -0.9422 1579821 ChemDiv3_004129 COC(=O)CC1=C(C(=O)OC)C2(C(=O)Nc3ccccc32)C(=C(N)O1)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L16 compound treatment 1.111 0.0633 1.83 1.122 0.0672 1.99 2.7005 0.9992 3119711 ChemDiv3_004130 O/N=C/c1c(O)c(Br)cc2oc3CCCCc3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L17 compound treatment 1.039 -0.00875 -0.25 1.039 -0.0158 -0.47 -0.5092 -0.9588 1421908 ChemDiv3_004131 O=c1n(CN2CCCCC2)nnc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L18 compound treatment 1.104 0.0563 1.63 1.084 0.0292 0.86 1.7627 0.956 1535030 ChemDiv3_004132 COc1ccc(cc1)C(=O)n2nc3CC(C)(C)OCc3c2c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L19 compound treatment 1.043 -0.00475 -0.14 1.043 -0.0118 -0.35 -0.3437 -0.9174 3119712 ChemDiv3_004133 Cc1ccc(cc1)S(=O)(=O)N/2C(=O)C(C)(C)S\C2=N/CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L20 compound treatment 1.103 0.0553 1.6 1.09 0.0352 1.04 1.8676 0.9783 1346941 ChemDiv3_004134 CN1CCN(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L21 compound treatment 1.033 -0.0147 -0.43 1.025 -0.0298 -0.88 -0.9248 -0.9448 3119713 ChemDiv3_004135 Cc1nnc(SCc2cccc(c2)C(=O)c3ccccc3)nc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L22 compound treatment 1.195 0.147 4.26 1.155 0.1 2.96 5.1106 0.9842 3119714 ChemDiv3_004136 CC1CCN(CC1)/C(=N\S(=O)(=O)c2ccc(Br)cc2)/Nc3nc(C)cc(C)n3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L23 mock treatment 1.024 -0.0237 -0.69 1.05 -0.00479 -0.14 -0.5864 -0.8351 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 L24 mock treatment 1.115 0.0673 1.95 1.138 0.0832 2.46 3.1169 0.9933 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M01 compound treatment 1.012 -0.0357 -1.04 1.02 -0.0348 -1.03 -1.4593 -1.0 3119869 ChemDiv3_004137 CCc1cc(C)cc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c4ccccc24)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M02 compound treatment 1.01 -0.0377 -1.09 1.021 -0.0338 -1.0 -1.4794 -0.999 3023448 ChemDiv3_004138 CN1C(=O)C(=Cc2cn(CC=C)c3ccccc23)C(=O)N(C)C1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M03 compound treatment 1.017 -0.0308 -0.89 1.008 -0.0468 -1.38 -1.6078 -0.9773 3023450 ChemDiv3_004139 CCc1cccc2c1NC(=O)C32OCCO3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M04 compound treatment 0.995 -0.0527 -1.53 1.022 -0.0328 -0.97 -1.7657 -0.9759 1912757 ChemDiv3_004140 Cc1cc2/C(=C/c3ccco3)/OC(=O)c2c(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M05 compound treatment 1.028 -0.0197 -0.57 1.006 -0.0488 -1.44 -1.4244 -0.918 3119870 ChemDiv3_004141 CCSC1=N/C(=C\c2ccc(cc2)C(=O)O)/C(=O)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M06 compound treatment 1.015 -0.0328 -0.95 1.025 -0.0298 -0.88 -1.2934 -0.9993 3023453 ChemDiv3_004142 O=C(COc1ccccc1)N2CCN=C2c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M07 compound treatment 1.021 -0.0268 -0.77 1.032 -0.0228 -0.67 -1.0242 -0.9976 1181595 ChemDiv3_004143 CCC(=O)N1C(Oc2nc(SC)nnc2-c3ccccc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M08 compound treatment 1.018 -0.0297 -0.86 1.039 -0.0158 -0.47 -0.9393 -0.9585 1618375 ChemDiv3_004144 S=C1NC(C2=C(N1)c3ccccc3CC2)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M09 compound treatment 1.017 -0.0308 -0.89 1.02 -0.0348 -1.03 -1.357 -0.9974 3023457 ChemDiv3_004145 CCCCN1C(=O)/C(=C/2\S/C(=N\c3ccc(Cl)cc3)/N(C)C2=O)/c4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M10 compound treatment 0.991 -0.0568 -1.64 1.003 -0.0518 -1.53 -2.2448 -0.9994 3119871 ChemDiv3_004146 O=C(NCCCc1ccccc1)N2c3ccccc3Sc4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M11 compound treatment 1.036 -0.0117 -0.34 1.06 0.00521 0.15 -0.1316 -0.3523 1406185 ChemDiv3_004147 Cc1cc(C)c2c(N=NN3CCCCCC3)n[nH]c2n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M12 compound treatment 1.028 -0.0197 -0.57 1.006 -0.0488 -1.44 -1.4244 -0.918 3119872 ChemDiv3_004148 Cc1cc(Br)ccc1NCc2ccc3OCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M13 compound treatment 1.031 -0.0168 -0.49 1.04 -0.0148 -0.44 -0.6521 -0.9987 1438334 ChemDiv3_004149 Brc1ccc2oc(=O)c(cc2c1)C(=O)N3CCCc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M14 compound treatment 0.996 -0.0517 -1.5 1.0 -0.0548 -1.62 -2.2051 -0.9992 3023462 ChemDiv3_004150 CN1C(=C(Nc2ccccc2C)c3ccccc3S1(=O)=O)C(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M15 compound treatment 1.005 -0.0428 -1.24 0.995 -0.0598 -1.77 -2.1254 -0.9848 1567678 ChemDiv3_004151 COc1ccc(cc1)C2=NN(C(C2)c3ccc(C)cc3)S(=O)(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M16 compound treatment 1.031 -0.0168 -0.49 1.016 -0.0388 -1.15 -1.1539 -0.9267 3023506 ChemDiv3_004152 OC(=O)CP(=S)(c1ccccc1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M17 compound treatment 1.01 -0.0377 -1.09 1.0 -0.0548 -1.62 -1.9184 -0.9817 1339249 ChemDiv3_004153 CCSC(=S)NC1CCS(=O)(=O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M18 compound treatment 1.014 -0.0337 -0.98 1.011 -0.0438 -1.29 -1.6065 -0.9904 3119873 ChemDiv3_004154 CCN1C2=C(C(C3=C1CCCC3=O)c4cccc(O)c4)C(=O)CCC2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M19 compound treatment 1.011 -0.0368 -1.06 1.013 -0.0418 -1.24 -1.6262 -0.9972 1468946 ChemDiv3_004155 CN(C1CCS(=O)(=O)C1)C(=S)SC2CS(=O)(=O)C=C2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M20 compound treatment 0.997 -0.0508 -1.47 1.001 -0.0538 -1.59 -2.1637 -0.9992 1541732 ChemDiv3_004156 COC(=O)c1ccc(COc2ccc3c(cc(=O)oc3c2C)c4ccccc4)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M21 compound treatment 1.007 -0.0408 -1.18 1.032 -0.0228 -0.67 -1.3109 -0.9646 1306134 ChemDiv3_004157 CN(C1CCCCC1)S(=O)(=O)C2CCS(=O)(=O)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M22 compound treatment 1.161 0.113 3.28 1.262 0.207 6.13 6.6513 0.9571 3119874 ChemDiv3_004158 CC1CN(CC(C)O1)C2=NC(=O)/C(=C/c3ccccc3)/S2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M23 mock treatment 1.044 -0.00375 -0.11 1.05 -0.00479 -0.14 -0.1768 -0.9915 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 M24 mock treatment 1.071 0.0233 0.67 1.078 0.0232 0.69 0.9615 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N01 compound treatment 1.017 -0.0308 -0.89 1.014 -0.0408 -1.21 -1.4824 -0.9889 3023511 ChemDiv3_004159 O=C1S/C(=C\c2ccc(o2)N3CCOCC3)/C(=O)N1c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N02 compound treatment 1.013 -0.0348 -1.01 1.006 -0.0488 -1.44 -1.7316 -0.9845 3119875 ChemDiv3_004160 CC1=[N+]([O-])C(C)(C)C(=[N+]1[O-])c2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N03 compound treatment 1.007 -0.0408 -1.18 1.01 -0.0448 -1.32 -1.7708 -0.9984 3023512 ChemDiv3_004161 C1CCC2=C(C1)SC3=C(CCCC3)C2c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N04 compound treatment 1.005 -0.0428 -1.24 1.019 -0.0358 -1.06 -1.6236 -0.9969 1863423 ChemDiv3_004162 CSc1cccc(NC(=O)c2cc3c(ccc4ccccc34)o2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N05 compound treatment 1.01 -0.0377 -1.09 1.01 -0.0448 -1.32 -1.7094 -0.9955 3023514 ChemDiv3_004163 O=C(ON1C(=O)c2ccccc2C1=O)C3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N06 compound treatment 1.021 -0.0268 -0.77 1.025 -0.0298 -0.88 -1.1705 -0.998 1713635 ChemDiv3_004164 COC(=O)C1=C(C)Nc2c(C1c3cccc(OCc4ccccc4)c3)c(=O)n(C)c(=O)n2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N07 compound treatment 1.022 -0.0257 -0.75 1.033 -0.0218 -0.64 -0.9828 -0.9973 3023519 ChemDiv3_004165 CCCCS(=O)(=O)N=C1NCN(CCO)CN1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N08 compound treatment 1.036 -0.0117 -0.34 1.043 -0.0118 -0.35 -0.487 -0.9999 3119876 ChemDiv3_004166 CC(C)(C)C1CCc2c(C1)sc3nc(oc(=O)c23)c4cccs4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N09 compound treatment 1.027 -0.0208 -0.6 1.034 -0.0208 -0.61 -0.8595 -0.9999 3119877 ChemDiv3_004167 CCOC(=O)c1c(NC(=O)CC2S/C(=N\CC)/N(CC)C2=O)sc3CCCCc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N10 compound treatment 1.014 -0.0337 -0.98 1.021 -0.0338 -1.0 -1.3975 -0.9999 3023583 ChemDiv3_004168 COc1ccc(CNC(=N)N)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N11 compound treatment 1.009 -0.0388 -1.12 1.008 -0.0468 -1.38 -1.7717 -0.9946 1550858 ChemDiv3_004169 CC1CCN(CC1)c2nnc(c3cccs3)c4ccccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N12 compound treatment 1.053 0.00525 0.15 1.079 0.0242 0.72 0.6137 0.8386 1484112 ChemDiv3_004170 O=S(=O)(Nc1nc2ccccc2nc1NCCC3=CCCCC3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N13 compound treatment 1.02 -0.0277 -0.8 1.028 -0.0268 -0.79 -1.1283 -1.0 1570344 ChemDiv3_004171 CCc1nc(n2nnc3cc(C)c(C)cc23)c4c5CCCCc5sc4n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N14 compound treatment 1.017 -0.0308 -0.89 1.031 -0.0238 -0.7 -1.127 -0.9932 1352096 ChemDiv3_004172 CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3ccccc3)cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N15 compound treatment 1.012 -0.0357 -1.04 1.031 -0.0238 -0.7 -1.2294 -0.9822 1652261 ChemDiv3_004173 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)C32C(=O)N(CO)c4ccccc43)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N16 compound treatment 1.074 0.0263 0.76 1.082 0.0272 0.8 1.1065 0.9996 3023589 ChemDiv3_004174 CC(C)(C)c1cc2oc3CCCCc3c2c(/C=N/Cc4ccncc4)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N17 compound treatment 1.018 -0.0297 -0.86 1.01 -0.0448 -1.32 -1.5455 -0.9783 1176412 ChemDiv3_004175 Cc1onc(c1C(=O)NC(=S)NCc2ccco2)c3ccccc3Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N18 compound treatment 1.085 0.0372 1.08 1.116 0.0612 1.81 2.0426 0.9694 1286690 ChemDiv3_004176 CC1(C)CC(CC(=O)N2CCOCC2)(CCO1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N19 compound treatment 1.022 -0.0257 -0.75 1.035 -0.0198 -0.58 -0.941 -0.9928 1350975 ChemDiv3_004177 Cc1nn(C(=O)c2cccnc2)c(c1Sc3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N20 compound treatment 1.055 0.00725 0.21 1.026 -0.0288 -0.85 -0.4533 -0.5172 3119878 ChemDiv3_004178 CCCN(CCC)CN1CC(Cn2c3ccccc3c4ccccc24)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N21 compound treatment 1.026 -0.0217 -0.63 1.012 -0.0428 -1.27 -1.3399 -0.9482 1867988 ChemDiv3_004179 CC1CC(c2ccccc2)c3cc(C)ccc3N1S(=O)(=O)c4cccc(Cl)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N22 compound treatment 1.052 0.00425 0.12 1.061 0.00621 0.18 0.217 0.981 3119879 ChemDiv3_004180 Clc1ccc(cc1)C(=O)NC(=N)NCc2ccco2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N23 mock treatment 1.023 -0.0248 -0.72 1.015 -0.0398 -1.18 -1.3386 -0.9718 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 N24 mock treatment 1.033 -0.0147 -0.43 1.047 -0.00779 -0.23 -0.4648 -0.9579 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O01 compound treatment 1.031 -0.0168 -0.49 1.022 -0.0328 -0.97 -1.0284 -0.9488 3023594 ChemDiv3_004181 CSc1nnc(c(O)n1)c2ccccc2N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O02 compound treatment 1.043 -0.00475 -0.14 1.019 -0.0358 -1.06 -0.8454 -0.7924 3119880 ChemDiv3_004182 NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O03 compound treatment 1.027 -0.0208 -0.6 1.019 -0.0358 -1.06 -1.1731 -0.9641 3023659 ChemDiv3_004183 CCc1ccc2NC(=O)/C(=C/3\NC(=S)NC3=O)/c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O04 compound treatment 1.038 -0.00975 -0.28 1.047 -0.00779 -0.23 -0.3624 -0.9949 1537162 ChemDiv3_004184 COCc1cc(C)nc2sc(C(=O)N)c(N)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O05 compound treatment 1.061 0.0133 0.38 1.049 -0.00579 -0.17 0.1504 0.3579 3023662 ChemDiv3_004185 COc1cccc(/C=C/2\N=C(SC)SC2=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O06 compound treatment 0.85 -0.198 -5.73 0.857 -0.198 -5.85 -8.1846 -0.9999 3119881 ChemDiv3_004186 COc1cc(OC)cc(c1)C(=O)N2CCN=C2c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O07 compound treatment 1.031 -0.0168 -0.49 1.015 -0.0398 -1.18 -1.1748 -0.9233 3023663 ChemDiv3_004187 CCN(CC)c1ccc(/C=C/2\N(C)C(=N)NC2=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O08 compound treatment 1.071 0.0233 0.67 1.056 0.00121 0.04 0.5015 0.7438 3119882 ChemDiv3_004188 CC(O)CN1C(=O)/C(=C/c2ccc(o2)c3ccc(Br)cc3)/C(=C(C#N)C1=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O09 compound treatment 1.02 -0.0277 -0.8 1.005 -0.0498 -1.47 -1.6091 -0.9595 3023665 ChemDiv3_004189 CSC1=N/C(=C\c2ccc(Br)cc2)/C(=O)S1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O10 compound treatment 1.023 -0.0248 -0.72 1.026 -0.0288 -0.85 -1.1086 -0.9964 1520777 ChemDiv3_004190 CN1C(=O)C(C2CC1(C)Oc3ccccc23)C(=O)NC(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O11 compound treatment 1.147 0.0993 2.87 1.129 0.0742 2.19 3.584 0.9911 1527053 ChemDiv3_004191 O=C(CN1CC(=O)Oc2ccccc12)OCC(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O12 compound treatment 1.038 -0.00975 -0.28 1.034 -0.0208 -0.61 -0.6342 -0.9378 3120033 ChemDiv3_004192 CCn1c2ccccc2c3cc(CNCCc4ccc(Cl)cc4)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O13 compound treatment 1.033 -0.0147 -0.43 1.031 -0.0238 -0.7 -0.7993 -0.9714 1472912 ChemDiv3_004193 O=C(NC1(CCCCC1)C#N)c2cc3ccccc3oc2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O14 compound treatment 1.056 0.00825 0.24 1.065 0.0102 0.3 0.3825 0.9933 3120034 ChemDiv3_004194 CCCN(CCC)C1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O15 compound treatment 1.111 0.0633 1.83 1.105 0.0502 1.48 2.3451 0.9946 3120035 ChemDiv3_004195 CS(=O)(=O)N1N=C(CC1c2cc3ccccc3nc2Cl)c4ccc(Br)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O16 compound treatment 1.038 -0.00975 -0.28 1.025 -0.0298 -0.88 -0.8224 -0.8892 1484690 ChemDiv3_004196 OC(=O)CCNc1ncnc2sc3CCCCc3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O17 compound treatment 1.048 2.5E-4 0.01 1.028 -0.0268 -0.79 -0.5549 -0.7006 3120036 ChemDiv3_004197 C=CCN1[C@H]2CS(=O)(=O)C[C@H]2NC1=S 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O18 compound treatment 1.041 -0.00675 -0.2 1.028 -0.0268 -0.79 -0.6982 -0.856 1564957 ChemDiv3_004198 CCOc1ccc(cc1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O19 compound treatment 1.025 -0.0227 -0.66 1.015 -0.0398 -1.18 -1.2977 -0.9625 3023723 ChemDiv3_004199 CC1=CS(=O)(=O)CC1Sc2nc3ccccc3[nH]2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O20 compound treatment 1.04 -0.00775 -0.22 1.022 -0.0328 -0.97 -0.8441 -0.8484 1479636 ChemDiv3_004200 Cc1oc(cc1COc2ccc3c4CCCCc4c(=O)oc3c2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O21 compound treatment 1.064 0.0163 0.47 1.048 -0.00679 -0.2 0.1909 0.3732 3023725 ChemDiv3_004201 Cc1nc2sc3CCCCc3c2c4nnc(SCC(=O)c5ccccc5)n14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O22 compound treatment 1.099 0.0512 1.48 1.109 0.0542 1.6 2.1829 0.9993 3120037 ChemDiv3_004202 CC1CCC2(CC1)NN(C(=S)N2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O23 mock treatment 1.102 0.0543 1.57 1.091 0.0362 1.07 1.8681 0.9825 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 O24 mock treatment 1.077 0.0293 0.85 1.076 0.0212 0.63 1.0425 0.9891 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P01 compound treatment 1.016 -0.0317 -0.92 1.023 -0.0318 -0.94 -1.3147 -0.9999 3120038 ChemDiv3_004203 COCCN1C(=O)N(C(=O)/C(=C\c2cc(C)n(c2C)c3ccncc3)/C1=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P02 compound treatment 1.036 -0.0117 -0.34 1.036 -0.0188 -0.56 -0.6334 -0.9723 3023728 ChemDiv3_004204 CCc1c(C)[n+]([O-])c2CCCCCc2[n+]1[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P03 compound treatment 1.035 -0.0127 -0.37 1.041 -0.0138 -0.41 -0.5493 -0.9988 3023729 ChemDiv3_004205 COC(=O)c1ccc(OCC(O)Cn2c(C)[n+](C)c3ccccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P04 compound treatment 1.016 -0.0317 -0.92 1.03 -0.0248 -0.73 -1.1684 -0.9937 3120039 ChemDiv3_004206 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCN(CC3)C(=O)c4ccc(F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P05 compound treatment 1.028 -0.0197 -0.57 1.018 -0.0368 -1.09 -1.1735 -0.955 3023733 ChemDiv3_004207 O=C(ON1C(=O)c2ccccc2C1=O)c3ccco3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P06 compound treatment 1.037 -0.0107 -0.31 1.042 -0.0128 -0.38 -0.4874 -0.9954 1192417 ChemDiv3_004208 COc1cc(cc(OC)c1OC)C2C3=C(CCCC3=O)Nc4[nH]c(=O)[nH]c(=O)c24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P07 compound treatment 1.031 -0.0168 -0.49 1.041 -0.0138 -0.41 -0.6312 -0.9963 3120040 ChemDiv3_004209 CC(=O)Nc1ccc(cc1)S(=O)(=O)N=C2NCN(CCOC(=O)c3ccccc3)CN2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P08 compound treatment 1.031 -0.0168 -0.49 1.021 -0.0338 -1.0 -1.0494 -0.945 3023735 ChemDiv3_004210 COC(=O)c1c(C)nn(c1NC(=O)C(C)Oc2ccc(Cl)cc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P09 compound treatment 1.203 0.155 4.5 1.205 0.15 4.44 6.3197 1.0 1521251 ChemDiv3_004211 Cc1cc2nnn(c3nc(C)nc4sc5CCCCc5c34)c2cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P10 compound treatment 1.03 -0.0177 -0.51 1.051 -0.00379 -0.11 -0.4426 -0.8414 3023737 ChemDiv3_004212 CSc1nc(C)cc(NC(=O)N)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P11 compound treatment 1.016 -0.0317 -0.92 1.036 -0.0188 -0.56 -1.0429 -0.9709 1165643 ChemDiv3_004213 CC(C)(C)c1ccc(cc1)c2cc3ccccn3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P12 compound treatment 1.083 0.0352 1.02 1.112 0.0572 1.69 1.918 0.9708 1379043 ChemDiv3_004214 Fc1ccccc1Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(Cl)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P13 compound treatment 1.049 0.00125 0.04 1.054 -7.86E-4 -0.02 0.0092 0.2132 3120041 ChemDiv3_004215 Cc1cc(C(=O)CSc2ncnc3sc4CCCCc4c23)c(C)n1Cc5ccco5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P14 compound treatment 1.049 0.00125 0.04 1.067 0.0122 0.36 0.281 0.7741 3024070 ChemDiv3_004216 CN1C(=O)/C(=C/Nc2cccc(Cl)c2)/c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P15 compound treatment 1.038 -0.00975 -0.28 1.064 0.00921 0.27 -0.007 -0.0179 1257595 ChemDiv3_004217 OC(=O)CSc1nnc-2c(OC3(CCCC3)Nc4ccccc42)n1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P16 compound treatment 1.027 -0.0208 -0.6 1.05 -0.00479 -0.14 -0.525 -0.8503 3024074 ChemDiv3_004218 CN1C(=O)/C(=C\Nc2cccc(CO)c2)/c3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P17 compound treatment 1.017 -0.0308 -0.89 1.033 -0.0218 -0.64 -1.0852 -0.9874 3120042 ChemDiv3_004219 Cc1ccc(Oc2ncnc3sccc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P18 compound treatment 1.058 0.0103 0.3 1.035 -0.0198 -0.58 -0.2037 -0.3106 3024079 ChemDiv3_004220 CC1=N/C(=C/c2cc3ccccc3nc2Sc4ccc(C)cc4)/C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P19 compound treatment 1.016 -0.0317 -0.92 1.027 -0.0278 -0.82 -1.2311 -0.9984 1244804 ChemDiv3_004221 COc1ccc(cc1OC)C(=O)Nn2c(C)nnc2n3nc(C)cc3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P20 compound treatment 1.072 0.0243 0.7 1.096 0.0412 1.22 1.3582 0.9657 3120043 ChemDiv3_004222 CC(C)CN(CC(C)C)CN1CC(COc2ccccc2C)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P21 compound treatment 1.035 -0.0127 -0.37 1.045 -0.00979 -0.29 -0.4657 -0.9927 3023284 ChemDiv3_004223 COC(=O)C1=CN(C=C(C1c2cccc(OC)c2)C(=O)OC)C3(CC4CC5CC(C4)C3)C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P22 compound treatment 1.06 0.0123 0.35 1.065 0.0102 0.3 0.4644 0.9968 1820755 ChemDiv3_004224 O=C(CSc1nnnn1c2ccccc2)N3c4ccccc4CCc5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P23 mock treatment 1.043 -0.00475 -0.14 1.066 0.0112 0.33 0.1372 0.3821 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2012 P24 mock treatment 1.047 -7.5E-4 -0.02 1.071 0.0162 0.48 0.3236 0.6744 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A01 mock treatment 0.987 -0.00846 -0.24 1.003 0.00628 0.19 -0.0419 -0.1365 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A02 compound treatment 0.992 -0.00346 -0.1 0.977 -0.0197 -0.58 -0.4831 -0.8165 3555546 CMLD3_000001 COc1ccc2O[C@@H]([C@@H](OC(=O)Nc3cc(OC)c(OC)c(OC)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A03 mock treatment 0.981 -0.0145 -0.42 0.979 -0.0177 -0.52 -0.6666 -0.9938 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A04 compound treatment 1.003 0.00754 0.22 0.992 -0.00472 -0.14 0.0558 0.215 3555566 CMLD3_000002 COc1ccc2C(=O)[C@@H](OC(=O)NCCOc3ccccc3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A05 compound treatment 0.993 -0.00246 -0.07 0.979 -0.0177 -0.52 -0.4208 -0.7958 3555570 CMLD3_000003 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)NS(=O)(=O)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A06 compound treatment 0.989 -0.00646 -0.19 0.981 -0.0157 -0.46 -0.4609 -0.9199 3555574 CMLD3_000004 COc1ccc2O[C@H]([C@H](O)C(=O)c2c1)c3ccc(OC)c(Br)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A07 mock treatment 1.003 0.00754 0.22 0.957 -0.0397 -1.17 -0.676 -0.5658 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A08 compound treatment 0.972 -0.0235 -0.68 0.994 -0.00272 -0.08 -0.5373 -0.7854 3555579 CMLD3_000005 COc1ccc2O[C@H]([C@H](OC(=O)NCCOc3ccccc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A09 compound treatment 1.007 0.0115 0.33 0.985 -0.0117 -0.35 -0.0087 -0.018 3555584 CMLD3_000006 Brc1ccc2O[C@H]([C@H](OC(=O)NCc3ccc4OCOc4c3)C(=O)c2c1)c5ccc6OCOc6c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A10 compound treatment 0.99 -0.00546 -0.16 0.988 -0.00872 -0.26 -0.2941 -0.9723 3555589 CMLD3_000007 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@@H]1Cc2cc(Br)ccc2O[C@H]1c3cccc(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A11 mock treatment 0.986 -0.00946 -0.27 0.993 -0.00372 -0.11 -0.2715 -0.9198 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A12 compound treatment 0.975 -0.0205 -0.59 0.994 -0.00272 -0.08 -0.4758 -0.7959 3555594 CMLD3_000008 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@@H]1[C@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A13 mock treatment 0.985 -0.0105 -0.3 0.971 -0.0257 -0.76 -0.7519 -0.9185 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A14 mock treatment 0.969 -0.0265 -0.77 0.981 -0.0157 -0.46 -0.8705 -0.9713 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A15 compound treatment 0.979 -0.0165 -0.48 0.985 -0.0117 -0.35 -0.5821 -0.9878 3555598 CMLD3_000009 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)c2cc(C)cc(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A16 compound treatment 0.986 -0.00946 -0.27 0.99 -0.00672 -0.2 -0.3342 -0.9876 3555600 CMLD3_000010 Cc1cc(C)cc(/C=C/[C@H]2OC[C@@H](O)[C@H]2Oc3ccc(cc3)C4CCCC4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A17 compound treatment 1.001 0.00554 0.16 0.991 -0.00572 -0.17 -0.0061 -0.0262 3555605 CMLD3_000011 COc1ccc(C#C[C@H]2O[C@H](CO)[C@@H](Oc3cc(C)cc(C)c3)C=C2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A18 compound treatment 0.976 -0.0195 -0.56 0.974 -0.0227 -0.67 -0.8735 -0.9962 3555609 CMLD3_000012 CC(C)(C)OC(=O)C1=NOC2(C1)C=CC(=O)C=C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A19 compound treatment 1.006 0.0105 0.31 1.009 0.0123 0.36 0.4726 0.9963 3555611 CMLD3_000013 COC(=O)N[C@@H](c1ccccc1)[C@@]2(CCCC2=O)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A20 compound treatment 0.995 -4.55E-4 -0.01 1.009 0.0123 0.36 0.2473 0.681 3555615 CMLD3_000014 CCCCCCCC#Cc1ccccc1C(NC(=O)OC)C(C(=O)OC)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A21 compound treatment 0.991 -0.00446 -0.13 0.987 -0.00972 -0.29 -0.2945 -0.9347 3555617 CMLD3_000015 CC(C)(C)OC1C2C3C2C4C1C3CC=CC4(O)CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A22 compound treatment 1.013 0.0175 0.51 1.002 0.00528 0.16 0.4696 0.8835 3555619 CMLD3_000016 COCn1c2ccccc2c3nnc(nc13)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A23 compound treatment 1.005 0.00954 0.28 0.999 0.00228 0.07 0.2431 0.8543 3555621 CMLD3_000017 COC(=O)N[C@H](/C(=C(\C)/NCc1ccccc1)/C(=O)OC)c2cccs2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 A24 compound treatment 0.996 5.45E-4 0.02 0.982 -0.0147 -0.44 -0.2967 -0.681 3555626 CMLD3_000018 CC(=CCC/C(=C/C=C/C1=CC2(C)CC1(C)C(CC2=O)\C=C(/C)\CCC=C(C)C)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B01 compound treatment 0.966 -0.0295 -0.85 0.963 -0.0337 -1.0 -1.3082 -0.997 3555630 CMLD3_000019 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)NS(=O)(=O)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B02 compound treatment 0.964 -0.0315 -0.91 0.986 -0.0107 -0.32 -0.8683 -0.9002 3555635 CMLD3_000020 COc1ccc2C(=O)[C@H](OC(=O)Nc3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B03 compound treatment 0.986 -0.00946 -0.27 0.981 -0.0157 -0.46 -0.5223 -0.9681 3555639 CMLD3_000021 COc1ccc2C(=O)[C@@H](OC(=O)Nc3ccc(OC(F)F)cc3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B04 compound treatment 0.983 -0.0125 -0.36 0.995 -0.00172 -0.05 -0.2911 -0.7991 3555643 CMLD3_000022 COc1ccc2C(=O)[C@@H](OC(=O)N[C@H]3CCCc4ccccc34)[C@@H](Oc2c1)c5ccc6OCOc6c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B05 compound treatment 0.981 -0.0145 -0.42 0.974 -0.0227 -0.67 -0.7711 -0.9741 3555647 CMLD3_000023 COc1ccc2C(=O)[C@@H](O)[C@@H](Oc2c1)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B06 compound treatment 1.0 0.00454 0.13 0.978 -0.0187 -0.55 -0.2984 -0.5244 3555651 CMLD3_000024 COc1ccc2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B07 compound treatment 0.977 -0.0185 -0.53 0.972 -0.0247 -0.73 -0.8948 -0.9882 3555653 CMLD3_000025 CCOC(=O)CNC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3cccc(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B08 compound treatment 0.983 -0.0125 -0.36 0.976 -0.0207 -0.61 -0.6883 -0.9681 3555657 CMLD3_000026 COc1ccc2C(=O)[C@H](OC(=O)N[C@H]3CCCc4ccccc34)[C@H](Oc2c1)c5ccc6OCOc6c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B09 compound treatment 0.994 -0.00146 -0.04 0.976 -0.0207 -0.61 -0.4631 -0.754 3555659 CMLD3_000027 COc1ccc2C(=O)[C@H](OC(=O)N[C@H](C)C3CCCCC3)[C@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B10 compound treatment 0.991 -0.00446 -0.13 0.979 -0.0177 -0.52 -0.4618 -0.8557 3555663 CMLD3_000028 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B11 compound treatment 0.988 -0.00746 -0.22 0.983 -0.0137 -0.41 -0.4396 -0.9564 3555666 CMLD3_000029 COc1ccc2O[C@H]([C@H](OC(=O)Nc3ccc(C)c(Br)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B12 compound treatment 0.995 -4.55E-4 -0.01 0.964 -0.0327 -0.97 -0.6935 -0.7167 3555670 CMLD3_000030 COc1ccc2C(=O)[C@H](OC(=O)NCCOc3ccccc3)[C@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B13 mock treatment 0.973 -0.0225 -0.65 0.982 -0.0147 -0.44 -0.7677 -0.9809 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B14 mock treatment 0.972 -0.0235 -0.68 0.974 -0.0227 -0.67 -0.9554 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B15 compound treatment 0.966 -0.0295 -0.85 0.977 -0.0197 -0.58 -1.0155 -0.9828 3555672 CMLD3_000031 CC(=O)c1ccc(cc1)[C@H]2O[C@H](CO)[C@@H](Oc3ccc(cc3)c4ccccc4)C=C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B16 compound treatment 0.985 -0.0105 -0.3 0.974 -0.0227 -0.67 -0.6892 -0.9352 3555676 CMLD3_000032 CC(C)(C)c1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/C#Cc3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B17 compound treatment 0.984 -0.0115 -0.33 1.006 0.00928 0.27 -0.0406 -0.0944 3555680 CMLD3_000033 CC(=O)c1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccc(Br)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B18 compound treatment 0.991 -0.00446 -0.13 0.983 -0.0137 -0.41 -0.3781 -0.8881 3555686 CMLD3_000034 COc1ccc(/C=C/C2=CC3(C)CC2(C)C(CC3=O)c4ccc(OC)cc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B19 compound treatment 0.985 -0.0105 -0.3 0.992 -0.00472 -0.14 -0.3129 -0.9382 3555689 CMLD3_000035 COC(=O)N[C@H](CC(=O)C)c1ccc2OCOc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B20 mock treatment 1.018 0.0225 0.65 1.015 0.0183 0.54 0.8438 0.9956 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B21 compound treatment 0.985 -0.0105 -0.3 0.992 -0.00472 -0.14 -0.3129 -0.9382 3555694 CMLD3_000036 COCO[C@@H]1[C@@H](C)C(=O)N2[C@@H]1[C@@H](Oc3ccc(OC)cc23)/C=C/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B22 compound treatment 0.979 -0.0165 -0.48 0.986 -0.0107 -0.32 -0.5612 -0.9804 3555700 CMLD3_000037 C[C@@H]1C=CCCO[C@H]1c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B23 compound treatment 0.985 -0.0105 -0.3 0.988 -0.00872 -0.26 -0.3965 -0.9968 3555703 CMLD3_000038 CCCCCCCC#Cc1ccccc1/C=N/S(=O)c2ccc(C)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 B24 compound treatment 1.001 0.00554 0.16 0.992 -0.00472 -0.14 0.0148 0.0695 3555707 CMLD3_000039 COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(=O)c3ccccn3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C01 compound treatment 1.01 0.0145 0.42 1.014 0.0173 0.51 0.659 0.9954 3555711 CMLD3_000040 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C02 compound treatment 0.999 0.00354 0.1 1.007 0.0103 0.3 0.2874 0.8962 3555810 CMLD3_000041 COc1ccc2C(=O)[C@@H](OC(=O)NCCc3ccc(OC)c(OC)c3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C03 compound treatment 1.009 0.0135 0.39 0.996 -7.23E-4 -0.02 0.2623 0.6676 3555814 CMLD3_000042 CCOC(=O)CNC(=O)O[C@@H]1[C@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C04 compound treatment 1.007 0.0115 0.33 1.014 0.0173 0.51 0.5976 0.9789 3555817 CMLD3_000043 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]2[C@H](Oc3ccc(OC)cc3C2=O)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C05 compound treatment 1.003 0.00754 0.22 0.998 0.00128 0.04 0.1812 0.8172 3555820 CMLD3_000044 COc1ccc2O[C@@H]([C@@H](OC(=O)NS(=O)(=O)c3ccc(F)cc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C06 compound treatment 1.006 0.0105 0.31 1.005 0.00828 0.24 0.389 0.994 3555823 CMLD3_000045 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)Nc4ccc(C)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C07 compound treatment 1.016 0.0205 0.59 1.007 0.0103 0.3 0.6356 0.9513 3555825 CMLD3_000046 CCOC(=O)CNC(=O)O[C@H]1[C@@H](Oc2ccc(OC)cc2C1=O)c3cccc(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C08 compound treatment 0.992 -0.00346 -0.1 1.004 0.00728 0.22 0.0814 0.3429 3555829 CMLD3_000047 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NC4CCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C09 compound treatment 1.022 0.0265 0.77 1.002 0.00528 0.16 0.6539 0.8336 3555833 CMLD3_000048 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]2[C@H](Oc3cc(OC)ccc3C2=O)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C10 compound treatment 1.017 0.0215 0.62 0.991 -0.00572 -0.17 0.3215 0.4974 3555837 CMLD3_000049 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)NS(=O)(=O)c4ccc(F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C11 mock treatment 0.996 5.45E-4 0.02 1.013 0.0163 0.48 0.3514 0.7299 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C12 mock treatment 1.021 0.0255 0.74 1.015 0.0183 0.54 0.9052 0.9881 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C13 compound treatment 1.018 0.0225 0.65 1.017 0.0203 0.6 0.8856 0.9991 3555841 CMLD3_000050 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]2Cc3cc(OC)ccc3O[C@H]2c4cccc(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C14 compound treatment 1.001 0.00554 0.16 0.997 2.77E-4 0.01 0.1193 0.7422 3555844 CMLD3_000051 CC(=O)c1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)c3ccc(Cl)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C15 mock treatment 1.011 0.0155 0.45 1.005 0.00828 0.24 0.4914 0.959 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C16 mock treatment 0.995 -4.55E-4 -0.01 0.984 -0.0127 -0.38 -0.2753 -0.7314 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C17 compound treatment 1.009 0.0135 0.39 0.972 -0.0247 -0.73 -0.2395 -0.2887 3555848 CMLD3_000052 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2cccc(c2)N(C)C)C#Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C18 compound treatment 1.018 0.0225 0.65 1.001 0.00428 0.13 0.5511 0.8287 3555853 CMLD3_000053 COC(=O)C1(CC2(CCC3C4C5C41)OCCO2)C3C5OCc6ccccc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C19 compound treatment 1.008 0.0125 0.36 0.994 -0.00272 -0.08 0.2 0.5374 3555855 CMLD3_000054 COc1cccc(/C=C/C2=CC3(C)CC2(C)C(CC3=O)c4cccc(OC)c4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C20 compound treatment 1.032 0.0365 1.06 1.012 0.0153 0.45 1.0678 0.9279 3555859 CMLD3_000055 COC(=O)[C@@H]1[C@H]([C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@]12c4ccc(OC)cc4)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C21 compound treatment 1.024 0.0285 0.83 1.02 0.0233 0.69 1.0712 0.9958 831758 CMLD3_000056 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C22 compound treatment 1.013 0.0175 0.51 1.019 0.0223 0.66 0.825 0.9918 3555865 CMLD3_000057 COC(=O)N[C@H](C(C(=O)C)C(=O)OC)c1cccc(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C23 compound treatment 1.007 0.0115 0.33 1.015 0.0183 0.54 0.6185 0.9734 3555869 CMLD3_000058 COC(=O)N[C@H](CC(=O)C)c1ccc(F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 C24 compound treatment 1.031 0.0355 1.03 1.019 0.0223 0.66 1.1936 0.9767 3555873 CMLD3_000059 CCCCCCCC1=CC2=CC(=O)C(C)(O)C(=O)C2=CN1CCCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D01 compound treatment 0.995 -4.55E-4 -0.01 0.992 -0.00472 -0.14 -0.1081 -0.7705 3555876 CMLD3_000060 Cc1ccc(cc1)S(=O)(=O)NC(=O)O[C@H]2[C@@H](Oc3ccc(Br)cc3C2=O)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D02 compound treatment 1.018 0.0225 0.65 1.017 0.0203 0.6 0.8856 0.9991 3555884 CMLD3_000061 COc1ccc2C(=O)[C@@H](OC(=O)NC3CCCC3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D03 compound treatment 0.992 -0.00346 -0.1 1.005 0.00828 0.24 0.1023 0.3869 3555888 CMLD3_000062 COc1ccc2C(=O)[C@@H](OC(=O)Nc3ccc(C)c(Br)c3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D04 mock treatment 1.002 0.00654 0.19 0.991 -0.00572 -0.17 0.0144 0.0566 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D05 compound treatment 1.014 0.0185 0.54 1.005 0.00828 0.24 0.5528 0.9366 3555892 CMLD3_000063 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)N[C@H]4CCCc5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D06 compound treatment 1.002 0.00654 0.19 1.006 0.00928 0.27 0.328 0.9837 3555896 CMLD3_000064 COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D07 compound treatment 1.014 0.0185 0.54 1.006 0.00928 0.27 0.5737 0.9513 3555901 CMLD3_000065 COc1ccc2C(=O)[C@@H](OC(=O)NC3CCCC3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D08 mock treatment 1.008 0.0125 0.36 0.999 0.00228 0.07 0.3045 0.8241 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D09 compound treatment 0.999 0.00354 0.1 0.991 -0.00572 -0.17 -0.0471 -0.2378 3555905 CMLD3_000066 COc1cc(NC(=O)O[C@H]2[C@@H](Oc3ccc(Br)cc3C2=O)c4ccc5OCOc5c4)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D10 compound treatment 0.991 -0.00446 -0.13 0.999 0.00228 0.07 -0.0436 -0.2999 3555908 CMLD3_000067 COc1ccc2O[C@@H]([C@@H](OC(=O)NS(=O)(=O)c3ccc(C)cc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D11 mock treatment 1.004 0.00854 0.25 0.996 -7.23E-4 -0.02 0.1599 0.6436 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D12 mock treatment 1.014 0.0185 0.54 0.988 -0.00872 -0.26 0.1974 0.3313 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D13 mock treatment 1.001 0.00554 0.16 1.006 0.00928 0.27 0.3075 0.9675 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D14 compound treatment 0.99 -0.00546 -0.16 0.993 -0.00372 -0.11 -0.1896 -0.9844 3555912 CMLD3_000068 CN(C)c1cccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccccc3)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D15 mock treatment 0.988 -0.00746 -0.22 1.0 0.00328 0.1 -0.0842 -0.3557 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D16 mock treatment 1.016 0.0205 0.59 1.013 0.0163 0.48 0.761 0.9945 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D17 compound treatment 0.999 0.00354 0.1 1.006 0.00928 0.27 0.2665 0.9101 3555916 CMLD3_000069 OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(C=O)cc2)C#Cc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D18 compound treatment 0.994 -0.00146 -0.04 0.994 -0.00272 -0.08 -0.0867 -0.9544 3555921 CMLD3_000070 COc1ccccc1/C=C/C2=CC3(C)CC2(C)C(CC3=O)c4ccccc4OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D19 compound treatment 1.008 0.0125 0.36 1.007 0.0103 0.3 0.4717 0.9961 3555925 CMLD3_000071 CCC/C=C/C1C(CO)C2(OCC(CC)(CC)CO2)[C@@H]3O[C@@H]3C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D20 compound treatment 1.013 0.0175 0.51 1.019 0.0223 0.66 0.825 0.9918 3555929 CMLD3_000072 COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(=O)C(F)(F)F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D21 compound treatment 1.014 0.0185 0.54 1.015 0.0183 0.54 0.7619 1.0 3555933 CMLD3_000073 COc1ccc(cc1)C(=O)CC(=O)c2c(O)cc(OC)cc2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D22 compound treatment 1.005 0.00954 0.28 0.997 2.77E-4 0.01 0.2012 0.7277 3555935 CMLD3_000074 COC(=O)N[C@@H](c1ccco1)[C@@]2(CCCC2=O)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D23 mock treatment 1.012 0.0165 0.48 1.021 0.0243 0.72 0.8463 0.9807 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 D24 compound treatment 1.023 0.0275 0.8 1.013 0.0163 0.48 0.9044 0.9707 3555939 CMLD3_000075 COC(=O)N[C@H](C(C(=O)C)C(=O)OC)c1cccc(F)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E01 mock treatment 1.021 0.0255 0.74 1.018 0.0213 0.63 0.9679 0.9967 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E02 mock treatment 1.008 0.0125 0.36 1.018 0.0213 0.63 0.7017 0.966 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E03 mock treatment 1.014 0.0185 0.54 1.012 0.0153 0.45 0.6991 0.9963 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E04 compound treatment 1.021 0.0255 0.74 1.006 0.00928 0.27 0.7171 0.9088 3555943 CMLD3_000076 CC[C@H](C)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E05 compound treatment 1.007 0.0115 0.33 1.011 0.0143 0.42 0.5349 0.9933 3555945 CMLD3_000077 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NS(=O)(=O)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E06 compound treatment 1.004 0.00854 0.25 1.012 0.0153 0.45 0.4944 0.9599 3555948 CMLD3_000078 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NS(=O)(=O)c4ccc(F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E07 compound treatment 1.007 0.0115 0.33 1.011 0.0143 0.42 0.5349 0.9933 3555952 CMLD3_000079 COc1ccc2C(=O)[C@@H](OC(=O)N[C@H](C)C3CCCCC3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E08 compound treatment 1.021 0.0255 0.74 1.017 0.0203 0.6 0.947 0.9946 3555954 CMLD3_000080 COc1ccc2O[C@@H]([C@@H](OC(=O)NCc3ccc4OCOc4c3)C(=O)c2c1)c5ccc(OC)c(Br)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E09 mock treatment 1.01 0.0145 0.42 0.999 0.00228 0.07 0.3454 0.8098 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E10 mock treatment 1.005 0.00954 0.28 1.011 0.0143 0.42 0.4939 0.9789 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E11 compound treatment 1.012 0.0165 0.48 0.998 0.00128 0.04 0.3655 0.7605 3555958 CMLD3_000081 Brc1ccc2O[C@H]([C@H](OC(=O)NCc3ccco3)C(=O)c2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E12 compound treatment 1.03 0.0345 1.0 1.028 0.0313 0.92 1.3613 0.9992 3555962 CMLD3_000082 CC[C@H](C)[C@@H](NC(=O)O[C@@H]1[C@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E13 compound treatment 0.988 -0.00746 -0.22 0.986 -0.0107 -0.32 -0.3769 -0.9825 3555964 CMLD3_000083 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)N[C@H]4CCCc5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E14 compound treatment 0.993 -0.00246 -0.07 0.988 -0.00872 -0.26 -0.2327 -0.8696 3555968 CMLD3_000084 CCOC(=O)OC[C@H]1O[C@H](CCc2ccccc2)CC[C@@H]1Oc3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E15 compound treatment 1.004 0.00854 0.25 0.994 -0.00272 -0.08 0.118 0.4536 3555972 CMLD3_000085 CC(C)(C)c1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E16 compound treatment 1.016 0.0205 0.59 1.028 0.0313 0.92 1.0746 0.9773 3555975 CMLD3_000086 CC(C)(C)c1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/C#Cc3ccccc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E17 mock treatment 1.002 0.00654 0.19 1.013 0.0163 0.48 0.4743 0.917 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E18 mock treatment 1.005 0.00954 0.28 1.006 0.00928 0.27 0.3894 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E19 compound treatment 0.997 0.00154 0.04 1.009 0.0123 0.36 0.2883 0.7883 3555978 CMLD3_000087 C[C@H](O)CCCCCCC/C=C/C=C/C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E20 compound treatment 1.032 0.0365 1.06 1.032 0.0353 1.04 1.4859 1.0 3555982 CMLD3_000088 CC1(C)O[C@H]([C@@H](O1)C(O)(c2cccc3c4ccccc4oc23)c5cccc6c7ccccc7oc56)C(O)(c8cccc9c%10ccccc%10oc89)c%11cccc%12c%13ccccc%13oc%11%12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E21 mock treatment 1.019 0.0235 0.68 1.011 0.0143 0.42 0.7806 0.9734 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E22 compound treatment 1.021 0.0255 0.74 1.012 0.0153 0.45 0.8425 0.972 3555987 CMLD3_000089 COC(=O)N[C@@H](c1cccc(C)c1)[C@@]2(CCCC2=O)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E23 compound treatment 1.027 0.0315 0.91 1.011 0.0143 0.42 0.9445 0.9385 3555990 CMLD3_000090 CC1(CC2(C)C(CC1=O)c3ccc(cc3)C(F)(F)F)C=C2/C=C/c4ccc(cc4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 E24 mock treatment 1.022 0.0265 0.77 1.013 0.0163 0.48 0.8839 0.9746 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F01 mock treatment 1.013 0.0175 0.51 1.016 0.0193 0.57 0.7623 0.9984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F02 mock treatment 1.004 0.00854 0.25 1.004 0.00728 0.22 0.3271 0.9976 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F03 compound treatment 1.016 0.0205 0.59 1.024 0.0273 0.81 0.991 0.9888 3555993 CMLD3_000091 CC[C@H](C)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3cccc(OC)c3)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F04 compound treatment 1.001 0.00554 0.16 1.004 0.00728 0.22 0.2657 0.9896 3555995 CMLD3_000092 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)N[C@H]4CCCc5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F05 compound treatment 1.004 0.00854 0.25 0.986 -0.0107 -0.32 -0.0492 -0.1223 3555997 CMLD3_000093 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NS(=O)(=O)c4ccc(C)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F06 mock treatment 0.992 -0.00346 -0.1 1.006 0.00928 0.27 0.1232 0.4219 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F07 compound treatment 0.998 0.00254 0.07 1.012 0.0153 0.45 0.3715 0.8117 3555999 CMLD3_000094 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H](Oc3cc(OC)ccc3C2=O)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F08 compound treatment 1.006 0.0105 0.31 1.003 0.00628 0.19 0.3472 0.9715 3556000 CMLD3_000095 COc1ccc2O[C@@H]([C@@H](OC(=O)N[C@H]3CCCc4ccccc34)C(=O)c2c1)c5ccc(OC)c(Br)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F09 mock treatment 1.017 0.0215 0.62 1.01 0.0133 0.39 0.7188 0.9751 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F10 mock treatment 0.998 0.00254 0.07 1.014 0.0173 0.51 0.4133 0.8008 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F11 mock treatment 1.007 0.0115 0.33 1.016 0.0193 0.57 0.6394 0.9677 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F12 compound treatment 1.009 0.0135 0.39 0.986 -0.0107 -0.32 0.0532 0.1055 3556002 CMLD3_000096 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NCc4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F13 compound treatment 0.988 -0.00746 -0.22 0.996 -7.23E-4 -0.02 -0.1678 -0.7734 3556004 CMLD3_000097 CC[C@H](C)[C@@H](NC(=O)O[C@@H]1[C@H](Oc2ccc(OC)cc2C1=O)c3ccc(OC)c(Br)c3)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F14 compound treatment 1.019 0.0235 0.68 1.009 0.0123 0.36 0.7388 0.9564 3556006 CMLD3_000098 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)C#Cc2ccc(Br)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F15 compound treatment 1.022 0.0265 0.77 1.02 0.0233 0.69 1.0302 0.9985 3556008 CMLD3_000099 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccc(F)cc3F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F16 compound treatment 1.0 0.00454 0.13 1.003 0.00628 0.19 0.2243 0.9858 3556010 CMLD3_000100 COc1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/C#Cc3ccc(F)cc3F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F17 mock treatment 1.015 0.0195 0.57 1.011 0.0143 0.42 0.6987 0.9896 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F18 mock treatment 1.008 0.0125 0.36 0.988 -0.00872 -0.26 0.0745 0.1673 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F19 compound treatment 1.009 0.0135 0.39 1.022 0.0253 0.75 0.8058 0.9547 3556012 CMLD3_000101 COc1ccccc1/C=C/C(O)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F20 compound treatment 1.018 0.0225 0.65 1.012 0.0153 0.45 0.7811 0.9838 3556014 CMLD3_000102 COCn1c2ccccc2c3nnc(nc13)C(=O)OC(C)C#C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F21 compound treatment 1.02 0.0245 0.71 1.014 0.0173 0.51 0.8638 0.9869 3556015 CMLD3_000103 CCCCCCC1=Cc2cc(OC)c(OC)cc2C(O1)C3(CCCC3=O)C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F22 compound treatment 1.008 0.0125 0.36 1.01 0.0133 0.39 0.5345 0.9993 1952239 CMLD3_000104 O=C1/C(=C/c2ccccc2)/Oc3ccccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F23 compound treatment 1.007 0.0115 0.33 1.009 0.0123 0.36 0.4931 0.9992 3556016 CMLD3_000105 Cc1c2OCOc2ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 F24 compound treatment 1.007 0.0115 0.33 1.016 0.0193 0.57 0.6394 0.9677 3556017 CMLD3_000106 COC(=O)N[C@H](C(C(=O)C)C(=O)OC)c1ccc2ccccc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G01 compound treatment 1.006 0.0105 0.31 1.002 0.00528 0.16 0.3263 0.9514 3556019 CMLD3_000107 COc1ccc2O[C@H]([C@H](OC(=O)Nc3cc(OC)c(OC)c(OC)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G02 mock treatment 0.988 -0.00746 -0.22 0.998 0.00128 0.04 -0.126 -0.5748 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G03 mock treatment 0.982 -0.0135 -0.39 0.999 0.00228 0.07 -0.2279 -0.5764 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G04 mock treatment 1.001 0.00554 0.16 0.996 -7.23E-4 -0.02 0.0984 0.6076 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G05 compound treatment 0.997 0.00154 0.04 1.002 0.00528 0.16 0.142 0.8746 3556020 CMLD3_000108 COc1ccc2C(=O)[C@@H](OC(=O)Nc3ccc(C)c(Br)c3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G06 compound treatment 0.993 -0.00246 -0.07 1.002 0.00528 0.16 0.06 0.3502 3556022 CMLD3_000109 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)N[C@H](C)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G07 compound treatment 0.989 -0.00646 -0.19 0.998 0.00128 0.04 -0.1055 -0.5532 3556024 CMLD3_000110 CCOC(=O)CNC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G08 mock treatment 0.989 -0.00646 -0.19 1.006 0.00928 0.27 0.0618 0.186 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G09 compound treatment 0.987 -0.00846 -0.24 0.988 -0.00872 -0.26 -0.3555 -0.9997 3556025 CMLD3_000111 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G10 compound treatment 0.962 -0.0335 -0.97 0.985 -0.0117 -0.35 -0.9302 -0.904 3556027 CMLD3_000112 COc1ccc2C(=O)[C@@H](OC(=O)Nc3ccc(OC(F)F)cc3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G11 mock treatment 1.0 0.00454 0.13 0.99 -0.00672 -0.2 -0.0475 -0.1992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G12 compound treatment 1.014 0.0185 0.54 0.99 -0.00672 -0.2 0.2392 0.4177 3556029 CMLD3_000113 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)Nc4ccc(OC(F)F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G13 compound treatment 0.994 -0.00146 -0.04 0.985 -0.0117 -0.35 -0.2749 -0.7873 3556031 CMLD3_000114 CC[C@H](C)[C@@H](NC(=O)O[C@@H]1Cc2cc(OC)ccc2O[C@H]1c3cccc(OC)c3)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G14 compound treatment 0.987 -0.00846 -0.24 0.993 -0.00372 -0.11 -0.251 -0.9349 3556033 CMLD3_000115 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccc(Br)cc3)c(c1)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G15 compound treatment 0.998 0.00254 0.07 1.005 0.00828 0.24 0.2251 0.881 3556035 CMLD3_000116 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccc(cc3)C(C)(C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G16 compound treatment 0.978 -0.0175 -0.51 0.994 -0.00272 -0.08 -0.4144 -0.8095 3556037 CMLD3_000117 COc1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/C#Cc3ccc(F)cc3F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G17 mock treatment 0.983 -0.0125 -0.36 0.994 -0.00272 -0.08 -0.312 -0.8442 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G18 compound treatment 0.975 -0.0205 -0.59 0.985 -0.0117 -0.35 -0.664 -0.9674 3556038 CMLD3_000118 CC(=C)C(O)/C=C/C=C/c1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G19 mock treatment 1.031 0.0355 1.03 1.01 0.0133 0.39 1.0055 0.9126 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G20 mock treatment 1.003 0.00754 0.22 1.011 0.0143 0.42 0.453 0.953 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G21 compound treatment 1.009 0.0135 0.39 1.012 0.0153 0.45 0.5968 0.9975 3556040 CMLD3_000119 COC(=O)N[C@H](CC(=O)C)c1ccc(Cl)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G22 compound treatment 0.955 -0.0405 -1.17 0.981 -0.0157 -0.46 -1.1572 -0.918 3556042 CMLD3_000120 CCCCCCCC1=CC2=CC(=O)C(C)(OC(=O)C)C(=O)C2=CN1CCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G23 compound treatment 1.011 0.0155 0.45 0.999 0.00228 0.07 0.3659 0.8039 3556043 CMLD3_000121 CCCCCCC(=O)Cc1cc(OC)c(OC)cc1C=C(C(=O)OCC)C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 G24 compound treatment 1.012 0.0165 0.48 1.009 0.0123 0.36 0.5955 0.9906 3556044 CMLD3_000122 CCCCCCC(=O)Cc1cc(OC)c(OC)cc1/C=C(/C(=O)C)\C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H01 compound treatment 0.976 -0.0195 -0.56 1.008 0.0113 0.33 -0.1627 -0.2484 3556046 CMLD3_000123 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)Nc4cc(OC)c(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H02 compound treatment 1.056 0.0605 1.75 1.055 0.0583 1.72 2.4582 1.0 3556048 CMLD3_000124 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)Nc4cc(OC)c(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H03 mock treatment 1.006 0.0105 0.31 1.004 0.00728 0.22 0.3681 0.9853 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H04 mock treatment 0.988 -0.00746 -0.22 1.013 0.0163 0.48 0.1876 0.3557 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H05 compound treatment 1.0 0.00454 0.13 1.009 0.0123 0.36 0.3497 0.9058 3556050 CMLD3_000125 COc1ccc2C(=O)[C@@H](OC(=O)N[C@H](C)C3CCCCC3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H06 compound treatment 1.021 0.0255 0.74 0.999 0.00228 0.07 0.5707 0.7683 3556052 CMLD3_000126 COC(=O)[C@@H](NC(=O)O[C@@H]1[C@H](Oc2ccc(OC)cc2C1=O)c3ccc(OC)c(Br)c3)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H07 compound treatment 0.986 -0.00946 -0.27 1.01 0.0133 0.39 0.0839 0.1754 3556054 CMLD3_000127 COc1ccc2C(=O)[C@@H](OC(=O)NCc3ccco3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H08 compound treatment 0.991 -0.00446 -0.13 1.025 0.0283 0.84 0.4999 0.591 3556056 CMLD3_000128 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H](Oc3ccc(Br)cc3C2=O)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H09 compound treatment 0.984 -0.0115 -0.33 0.977 -0.0197 -0.58 -0.6469 -0.9643 3556058 CMLD3_000129 Brc1ccc2O[C@H]([C@H](OC(=O)NCCOc3ccccc3)C(=O)c2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H10 compound treatment 0.992 -0.00346 -0.1 0.973 -0.0237 -0.7 -0.5667 -0.7999 3556060 CMLD3_000130 Fc1ccc(cc1)S(=O)(=O)NC(=O)O[C@H]2[C@@H](Oc3ccc(Br)cc3C2=O)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H11 compound treatment 0.996 5.45E-4 0.02 0.999 0.00228 0.07 0.0588 0.8498 3556062 CMLD3_000131 COc1ccc2C(=O)[C@@H](OC(=O)NS(=O)(=O)c3ccc(F)cc3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H12 compound treatment 1.111 0.116 3.35 1.09 0.0933 2.76 4.3163 0.9954 3556064 CMLD3_000132 COc1ccc2C(=O)[C@H](OC(=O)Nc3ccc(OC(F)F)cc3)[C@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H13 mock treatment 0.992 -0.00346 -0.1 0.994 -0.00272 -0.08 -0.1277 -0.9942 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H14 compound treatment 0.999 0.00354 0.1 0.997 2.77E-4 0.01 0.0784 0.7611 3556065 CMLD3_000133 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#Cc2ccc(cc2)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H15 compound treatment 0.993 -0.00246 -0.07 0.992 -0.00472 -0.14 -0.149 -0.951 3556067 CMLD3_000134 Cc1cc(C)cc(C#C[C@H]2O[C@H](CO)[C@@H](Oc3ccc(cc3)C4CCCC4)C=C2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H16 compound treatment 0.974 -0.0215 -0.62 1.006 0.00928 0.27 -0.2454 -0.3613 3556069 CMLD3_000135 Cc1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/C#Cc3ccc(cc3)C(C)(C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H17 compound treatment 0.978 -0.0175 -0.51 0.998 0.00128 0.04 -0.3308 -0.6525 3556071 CMLD3_000136 CC(=O)c1ccc(cc1)[C@H]2O[C@H](CO)[C@@H](Oc3ccc(F)cc3C)C=C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H18 compound treatment 0.997 0.00154 0.04 0.975 -0.0217 -0.64 -0.4225 -0.6563 3556073 CMLD3_000137 Clc1cc2nc3-c4ccccc4OC(CC=C)(c5ccccc5)c3nc2cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H19 mock treatment 1.009 0.0135 0.39 1.0 0.00328 0.1 0.3459 0.856 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H20 mock treatment 1.011 0.0155 0.45 1.002 0.00528 0.16 0.4286 0.8997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H21 compound treatment 0.982 -0.0135 -0.39 0.993 -0.00372 -0.11 -0.3534 -0.8727 3556074 CMLD3_000138 CCCc1cc2C(=O)[C@H]3O[C@H]3[C@H](O)c2c(=O)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H22 compound treatment 0.995 -4.55E-4 -0.01 1.0 0.00328 0.1 0.0592 0.6053 3556076 CMLD3_000139 COC(=O)N[C@H](C(C(=O)C)C(=O)OCC=C)c1ccc2ccccc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H23 mock treatment 1.012 0.0165 0.48 1.003 0.00628 0.19 0.47 0.9148 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 H24 compound treatment 1.028 0.0325 0.94 1.026 0.0293 0.87 1.2785 0.9991 3556078 CMLD3_000140 COC(=O)N[C@@H](c1cccc(F)c1)[C@@]2(CCCC2=O)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I01 compound treatment 0.983 -0.0125 -0.36 0.998 0.00128 0.04 -0.2284 -0.6297 3556080 CMLD3_000141 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)Nc4cc(OC)c(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I02 compound treatment 0.998 0.00254 0.07 0.99 -0.00672 -0.2 -0.0884 -0.4172 3556082 CMLD3_000142 COc1ccc2C(=O)[C@@H](OC(=O)NCc3ccco3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I03 compound treatment 0.984 -0.0115 -0.33 0.98 -0.0167 -0.49 -0.5842 -0.9812 3555962 CMLD3_000143 CC[C@H](C)[C@@H](NC(=O)O[C@@H]1[C@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I04 mock treatment 0.983 -0.0125 -0.36 0.985 -0.0117 -0.35 -0.5002 -0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I05 mock treatment 0.983 -0.0125 -0.36 0.986 -0.0107 -0.32 -0.4792 -0.9979 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I06 mock treatment 0.983 -0.0125 -0.36 0.985 -0.0117 -0.35 -0.5002 -0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I07 compound treatment 0.99 -0.00546 -0.16 0.977 -0.0197 -0.58 -0.5241 -0.8674 3556084 CMLD3_000144 COc1ccc2C(=O)[C@@H](OC(=O)NCc3ccc4OCOc4c3)[C@@H](Oc2c1)c5ccc6OCOc6c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I08 compound treatment 0.989 -0.00646 -0.19 1.003 0.00628 0.19 -0.001 -0.0037 3556086 CMLD3_000145 Brc1ccc2O[C@H]([C@H](OC(=O)NC3CCCC3)C(=O)c2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I09 compound treatment 0.988 -0.00746 -0.22 0.979 -0.0177 -0.52 -0.5232 -0.9232 3556088 CMLD3_000146 CC[C@H](C)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3ccc4OCOc4c3)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I10 compound treatment 0.976 -0.0195 -0.56 0.977 -0.0197 -0.58 -0.8108 -0.9999 3556090 CMLD3_000147 CC[C@H](C)[C@@H](NC(=O)O[C@@H]1Cc2cc(Br)ccc2O[C@H]1c3cccc(OC)c3)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I11 compound treatment 1.0 0.00454 0.13 0.995 -0.00172 -0.05 0.057 0.4042 3556092 CMLD3_000148 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NCc4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I12 compound treatment 0.974 -0.0215 -0.62 0.997 2.77E-4 0.01 -0.4336 -0.6977 3556094 CMLD3_000149 CCOC(=O)CNC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I13 compound treatment 0.969 -0.0265 -0.77 0.972 -0.0247 -0.73 -1.0586 -0.9997 3011535 CMLD3_000150 COCOc1cc(OC)ccc1C(=O)/C=C/c2ccc3OCOc3c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I14 compound treatment 0.971 -0.0245 -0.71 0.981 -0.0157 -0.46 -0.8295 -0.9792 3556096 CMLD3_000151 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#Cc2ccc(C)cc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I15 compound treatment 1.006 0.0105 0.31 0.992 -0.00472 -0.14 0.1172 0.349 3556098 CMLD3_000152 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1Oc2ccc(cc2)c3ccccc3)c4ccc(cc4)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I16 compound treatment 0.96 -0.0355 -1.03 0.982 -0.0147 -0.44 -1.0339 -0.927 3556100 CMLD3_000153 Cc1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/C#Cc3ccc(cc3)C(C)(C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I17 compound treatment 0.974 -0.0215 -0.62 0.979 -0.0177 -0.52 -0.8099 -0.9964 3556101 CMLD3_000154 Cc1cc(F)ccc1O[C@H]2C=C[C@@H](CC=C)O[C@@H]2CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I18 compound treatment 0.996 5.45E-4 0.02 0.99 -0.00672 -0.2 -0.1294 -0.649 3556103 CMLD3_000155 COC(=O)N(CCc1ccc(OC)c(OC)c1)/C=C/c2ccc(OC)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I19 compound treatment 0.997 0.00154 0.04 0.998 0.00128 0.04 0.0583 0.9964 3556105 CMLD3_000156 CCCCCCC1=Cc2cc(OC)c(OC)cc2C(O1)C(C(=O)C)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I20 compound treatment 0.994 -0.00146 -0.04 0.992 -0.00472 -0.14 -0.1285 -0.8813 3556106 CMLD3_000157 CC(C)(C)OC1C2C3C2C(CC(O)CC=C)C1C3CC(O)CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I21 mock treatment 0.989 -0.00646 -0.19 0.99 -0.00672 -0.2 -0.2728 -0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I22 mock treatment 0.985 -0.0105 -0.3 0.989 -0.00772 -0.23 -0.3756 -0.9903 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I23 compound treatment 0.987 -0.00846 -0.24 0.987 -0.00972 -0.29 -0.3764 -0.9968 2119115 CMLD3_000158 COc1ccc(/C=C/C(=O)c2ccc(OC)cc2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 I24 compound treatment 1.004 0.00854 0.25 1.005 0.00828 0.24 0.348 1.0 3556107 CMLD3_000159 COC(=O)N[C@H](C(C(=O)C)C(=O)OCC=C)c1ccc(Cl)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J01 compound treatment 0.999 0.00354 0.1 1.004 0.00728 0.22 0.2247 0.9427 3556109 CMLD3_000160 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)NS(=O)(=O)c4ccc(F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J02 compound treatment 1.001 0.00554 0.16 0.99 -0.00672 -0.2 -0.027 -0.1057 3556112 CMLD3_000161 CCOC(=O)CNC(=O)O[C@@H]1[C@H](Oc2ccc(OC)cc2C1=O)c3ccc(OC)c(Br)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J03 compound treatment 1.008 0.0125 0.36 0.99 -0.00672 -0.2 0.1163 0.2809 3556115 CMLD3_000162 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H](Oc3ccc(Br)cc3C2=O)c4cccc(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J04 mock treatment 0.979 -0.0165 -0.48 0.979 -0.0177 -0.52 -0.7075 -0.9989 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J05 mock treatment 0.985 -0.0105 -0.3 0.97 -0.0267 -0.79 -0.7728 -0.9133 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J06 mock treatment 0.979 -0.0165 -0.48 0.993 -0.00372 -0.11 -0.4148 -0.8481 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J07 compound treatment 0.998 0.00254 0.07 1.004 0.00728 0.22 0.2042 0.8981 3556117 CMLD3_000163 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NCCOc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J08 compound treatment 0.991 -0.00446 -0.13 1.002 0.00528 0.16 0.0191 0.0942 3556119 CMLD3_000164 COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3ccc4OCOc4c3)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J09 compound treatment 0.977 -0.0185 -0.53 0.984 -0.0127 -0.38 -0.6439 -0.9852 3556123 CMLD3_000165 CC[C@H](C)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(OC)cc2C1=O)c3ccc(OC)c(Br)c3)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J10 compound treatment 0.972 -0.0235 -0.68 0.976 -0.0207 -0.61 -0.9136 -0.9987 3556129 CMLD3_000166 COc1ccc2O[C@H]([C@H](OC(=O)NS(=O)(=O)c3ccc(F)cc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J11 compound treatment 0.97 -0.0255 -0.74 0.973 -0.0237 -0.7 -1.0173 -0.9997 3556130 CMLD3_000167 COc1ccc2O[C@@H]([C@@H](OC(=O)NCc3ccco3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J12 compound treatment 0.969 -0.0265 -0.77 0.992 -0.00472 -0.14 -0.6405 -0.8224 3556132 CMLD3_000168 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NCc4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J13 compound treatment 0.991 -0.00446 -0.13 0.989 -0.00772 -0.23 -0.2527 -0.9635 3556134 CMLD3_000169 COCOc1ccc(OC)cc1C(=O)/C=C/c2ccc(OC)c(Br)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J14 compound treatment 0.975 -0.0205 -0.59 0.993 -0.00372 -0.11 -0.4967 -0.8244 3556136 CMLD3_000170 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)C#Cc2ccc(F)cc2F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J15 compound treatment 0.983 -0.0125 -0.36 0.959 -0.0377 -1.12 -1.0437 -0.8904 3556138 CMLD3_000171 CCOC(=O)OC[C@H]1O[C@@H]([C@@H](C=C1)c2cc(ccc2O)c3ccccc3)c4ccc(cc4)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J16 mock treatment 0.975 -0.0205 -0.59 0.972 -0.0247 -0.73 -0.9358 -0.9946 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J17 compound treatment 0.983 -0.0125 -0.36 1.011 0.0143 0.42 0.0434 0.0782 3556140 CMLD3_000172 COC(=O)C1(CC(=CCc2ccccc2C1C[N+](=O)[O-])C=C)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J18 mock treatment 0.995 -4.55E-4 -0.01 1.002 0.00528 0.16 0.101 0.645 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J19 compound treatment 0.988 -0.00746 -0.22 0.987 -0.00972 -0.29 -0.356 -0.99 3556141 CMLD3_000173 COc1cccc(/C=C/C(O)C(=C)C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J20 compound treatment 0.985 -0.0105 -0.3 0.982 -0.0147 -0.44 -0.5219 -0.9843 3556143 CMLD3_000174 COC(=O)N1CCc2cc(OC)c(OC)cc2C1Cc3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J21 mock treatment 0.991 -0.00446 -0.13 1.005 0.00828 0.24 0.0818 0.2957 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J22 mock treatment 0.993 -0.00246 -0.07 0.98 -0.0167 -0.49 -0.3999 -0.8006 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J23 compound treatment 1.0 0.00454 0.13 0.988 -0.00872 -0.26 -0.0893 -0.3084 3556144 CMLD3_000175 CCOC(=O)[C@]1(CCCC1=O)[C@@H](NC(=O)OC)c2cccc(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 J24 compound treatment 0.994 -0.00146 -0.04 1.014 0.0173 0.51 0.3314 0.6466 3556146 CMLD3_000176 OC[C@@H]1CCCN1C(=O)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K01 compound treatment 1.011 0.0155 0.45 0.992 -0.00472 -0.14 0.2196 0.4659 3556148 CMLD3_000177 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NC4CCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K02 compound treatment 0.986 -0.00946 -0.27 1.008 0.0113 0.33 0.0421 0.0976 3556150 CMLD3_000178 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3cccc(c3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K03 compound treatment 1.048 0.0525 1.52 1.027 0.0303 0.9 1.709 0.968 3556152 CMLD3_000179 COc1ccc2C(=O)[C@@H](OC(=O)NCc3ccc4OCOc4c3)[C@@H](Oc2c1)c5cccc(c5)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K04 mock treatment 0.999 0.00354 0.1 0.992 -0.00472 -0.14 -0.0262 -0.1509 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K05 compound treatment 1.007 0.0115 0.33 1.004 0.00728 0.22 0.3885 0.9773 3011485 CMLD3_000180 COc1ccc2C(=O)[C@@H](O)[C@@H](Oc2c1)c3cccc(c3)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K06 compound treatment 0.987 -0.00846 -0.24 0.999 0.00228 0.07 -0.1256 -0.4944 3556154 CMLD3_000181 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)Nc4ccc(C)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K07 mock treatment 1.038 0.0425 1.23 0.999 0.00228 0.07 0.9188 0.7446 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K08 mock treatment 1.011 0.0155 0.45 1.005 0.00828 0.24 0.4914 0.959 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K09 compound treatment 0.999 0.00354 0.1 0.997 2.77E-4 0.01 0.0784 0.7611 3556156 CMLD3_000182 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)Nc4ccc(OC(F)F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K10 compound treatment 0.996 5.45E-4 0.02 0.983 -0.0137 -0.41 -0.2758 -0.6791 3556158 CMLD3_000183 COc1ccc2O[C@H]([C@H](OC(=O)NS(=O)(=O)c3ccc(C)cc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K11 compound treatment 0.991 -0.00446 -0.13 0.996 -7.23E-4 -0.02 -0.1064 -0.8132 3556159 CMLD3_000184 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NCCc4ccc(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K12 compound treatment 0.981 -0.0145 -0.42 0.996 -7.23E-4 -0.02 -0.3111 -0.7423 3556161 CMLD3_000185 COc1ccc2O[C@H]([C@H](OC(=O)NCc3ccc4OCOc4c3)C(=O)c2c1)c5ccc(OC)c(Br)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K13 mock treatment 0.979 -0.0165 -0.48 1.003 0.00628 0.19 -0.2058 -0.4023 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K14 compound treatment 0.976 -0.0195 -0.56 0.981 -0.0157 -0.46 -0.7271 -0.9954 3556162 CMLD3_000186 CC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)C)c2cc(C)cc(C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K15 mock treatment 0.99 -0.00546 -0.16 1.003 0.00628 0.19 0.0195 0.08 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K16 mock treatment 0.999 0.00354 0.1 0.98 -0.0167 -0.49 -0.277 -0.5486 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K17 compound treatment 1.004 0.00854 0.25 1.012 0.0153 0.45 0.4944 0.9599 3556164 CMLD3_000187 COC(=O)N[C@H](CC(=O)C)c1cccc(C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K18 compound treatment 0.977 -0.0185 -0.53 1.005 0.00828 0.24 -0.2049 -0.3486 3556166 CMLD3_000188 COC(=O)N[C@H](CC(=O)C)c1ccco1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K19 compound treatment 1.004 0.00854 0.25 1.01 0.0133 0.39 0.4526 0.9753 3556168 CMLD3_000189 COc1ccc(OC)c(c1)[C@@H]2OCCC=C[C@H]2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K20 compound treatment 0.973 -0.0225 -0.65 1.022 0.0253 0.75 0.0686 0.0692 3556170 CMLD3_000190 CC1=C(C)CC(C(C1)C(=O)c2ccccc2O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K21 mock treatment 0.978 -0.0175 -0.51 0.986 -0.0107 -0.32 -0.5816 -0.9747 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K22 compound treatment 0.983 -0.0125 -0.36 0.993 -0.00372 -0.11 -0.3329 -0.8827 3556171 CMLD3_000191 CCCCCCC1=Cc2cc(OC)c(OC)cc2C(O1)C(C(=O)C)C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K23 mock treatment 1.005 0.00954 0.28 1.007 0.0103 0.3 0.4103 0.9989 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 K24 mock treatment 1.001 0.00554 0.16 1.005 0.00828 0.24 0.2866 0.9791 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L01 mock treatment 0.977 -0.0185 -0.53 0.996 -7.23E-4 -0.02 -0.3931 -0.7348 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L02 compound treatment 0.986 -0.00946 -0.27 0.984 -0.0127 -0.38 -0.4596 -0.9878 3556172 CMLD3_000192 COc1ccc2O[C@H]([C@H](OC(=O)NCc3ccco3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L03 mock treatment 0.984 -0.0115 -0.33 1.003 0.00628 0.19 -0.1034 -0.2719 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L04 mock treatment 1.004 0.00854 0.25 0.993 -0.00372 -0.11 0.0971 0.3587 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L05 compound treatment 0.993 -0.00246 -0.07 0.983 -0.0137 -0.41 -0.3372 -0.8186 3556173 CMLD3_000193 O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L06 compound treatment 1.0 0.00454 0.13 0.981 -0.0157 -0.46 -0.2357 -0.4877 3556175 CMLD3_000194 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)Nc4ccc(OC(F)F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L07 mock treatment 1.004 0.00854 0.25 1.011 0.0143 0.42 0.4735 0.9676 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L08 mock treatment 1.014 0.0185 0.54 0.991 -0.00572 -0.17 0.2601 0.4619 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L09 compound treatment 0.989 -0.00646 -0.19 0.988 -0.00872 -0.26 -0.3146 -0.9875 3556177 CMLD3_000195 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NS(=O)(=O)c4ccc(F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L10 compound treatment 0.99 -0.00546 -0.16 1.004 0.00728 0.22 0.0404 0.1514 3556179 CMLD3_000196 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)Nc4ccc(C)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L11 compound treatment 0.974 -0.0215 -0.62 0.977 -0.0197 -0.58 -0.8517 -0.9995 3556181 CMLD3_000197 COC(=O)[C@@H](NC(=O)O[C@@H]1[C@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L12 compound treatment 0.971 -0.0245 -0.71 0.999 0.00228 0.07 -0.4532 -0.637 3556182 CMLD3_000198 COc1ccc2C(=O)[C@H](OC(=O)NCc3ccc4OCOc4c3)[C@H](Oc2c1)c5ccc6OCOc6c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L13 compound treatment 0.952 -0.0435 -1.26 0.98 -0.0167 -0.49 -1.2395 -0.9167 3556183 CMLD3_000199 CCCCCCC#C[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L14 compound treatment 0.978 -0.0175 -0.51 0.959 -0.0377 -1.12 -1.1461 -0.936 3556185 CMLD3_000200 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)C#Cc2ccc(cc2)C(C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L15 mock treatment 0.979 -0.0165 -0.48 1.007 0.0103 0.3 -0.1221 -0.2161 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L16 mock treatment 0.992 -0.00346 -0.1 0.996 -7.23E-4 -0.02 -0.0859 -0.8393 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L17 compound treatment 0.978 -0.0175 -0.51 0.999 0.00228 0.07 -0.3099 -0.6076 3556187 CMLD3_000201 COC(=O)CC1=CO[C@@H](O)[C@H]2[C@@H]1CC=C2CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L18 compound treatment 0.981 -0.0145 -0.42 1.005 0.00828 0.24 -0.123 -0.2536 3556189 CMLD3_000202 COC(=O)C1=NOC2(C1)C=C(Br)C(=C(Br)C2=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L19 compound treatment 0.994 -0.00146 -0.04 1.012 0.0153 0.45 0.2896 0.6383 3556190 CMLD3_000203 O=C1OC(=NC21CC2)C3=CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L20 mock treatment 0.997 0.00154 0.04 1.009 0.0123 0.36 0.2883 0.7883 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L21 compound treatment 0.964 -0.0315 -0.91 0.989 -0.00772 -0.23 -0.8056 -0.8578 3556191 CMLD3_000204 CCCCCCC1Cc2cc(OC)c(OC)cc2C(O1)C(C(=O)OCC)C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L22 compound treatment 0.99 -0.00546 -0.16 0.998 0.00128 0.04 -0.085 -0.5234 3556192 CMLD3_000205 COC(=O)[C@@H](OCc1ccccc1)/C=C/[C@H](C)Cc2cc(Br)cc(OCc3ccccc3)c2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L23 mock treatment 1.007 0.0115 0.33 1.002 0.00528 0.16 0.3467 0.9398 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 L24 mock treatment 0.998 0.00254 0.07 1.009 0.0123 0.36 0.3088 0.8337 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M01 mock treatment 0.992 -0.00346 -0.1 0.984 -0.0127 -0.38 -0.3368 -0.8651 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M02 compound treatment 0.981 -0.0145 -0.42 0.984 -0.0127 -0.38 -0.562 -0.9986 3556194 CMLD3_000206 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1[C@@H](Oc2ccc(OC)cc2C1=O)c3ccc(OC)c(Br)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M03 compound treatment 0.976 -0.0195 -0.56 0.986 -0.0107 -0.32 -0.6226 -0.963 3556196 CMLD3_000207 COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c3cccc(OC)c3)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M04 compound treatment 0.998 0.00254 0.07 0.982 -0.0147 -0.44 -0.2557 -0.5792 3556198 CMLD3_000208 COc1ccc2C(=O)[C@@H](OC(=O)Nc3cc(OC)c(OC)c(OC)c3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M05 compound treatment 0.967 -0.0285 -0.82 0.985 -0.0117 -0.35 -0.8278 -0.9259 3556199 CMLD3_000209 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)N[C@H](C)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M06 compound treatment 0.98 -0.0155 -0.45 0.979 -0.0177 -0.52 -0.687 -0.9969 3556201 CMLD3_000210 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)N[C@H](C)C4CCCCC4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M07 compound treatment 0.987 -0.00846 -0.24 0.984 -0.0127 -0.38 -0.4391 -0.9784 3556203 CMLD3_000211 COc1ccc2C(=O)[C@@H](OC(=O)NCCc3ccc(OC)c(OC)c3)[C@@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M08 compound treatment 0.992 -0.00346 -0.1 0.988 -0.00872 -0.26 -0.2531 -0.915 3556205 CMLD3_000212 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H](Oc3ccc(OC)cc3C2=O)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M09 mock treatment 0.99 -0.00546 -0.16 0.981 -0.0157 -0.46 -0.4404 -0.897 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M10 mock treatment 0.965 -0.0305 -0.88 0.971 -0.0257 -0.76 -1.1615 -0.9973 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M11 compound treatment 0.982 -0.0135 -0.39 0.967 -0.0297 -0.88 -0.897 -0.933 3556206 CMLD3_000213 COc1ccc2O[C@@H]([C@@H](OC(=O)NCCc3ccc(OC)c(OC)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M12 compound treatment 0.962 -0.0335 -0.97 0.988 -0.00872 -0.26 -0.8675 -0.8652 2060493 CMLD3_000214 COc1ccc2c(=O)c(coc2c1)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M13 mock treatment 0.977 -0.0185 -0.53 0.974 -0.0227 -0.67 -0.853 -0.9936 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M14 mock treatment 0.977 -0.0185 -0.53 0.985 -0.0117 -0.35 -0.623 -0.978 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M15 mock treatment 0.966 -0.0295 -0.85 0.973 -0.0237 -0.7 -1.0992 -0.9953 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M16 mock treatment 0.968 -0.0275 -0.8 0.982 -0.0147 -0.44 -0.8701 -0.9598 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M17 compound treatment 0.994 -0.00146 -0.04 0.988 -0.00872 -0.26 -0.2122 -0.8119 3556208 CMLD3_000215 COC(=O)N[C@@H](c1ccccc1)[C@@]2(CCCC2=O)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M18 compound treatment 0.973 -0.0225 -0.65 0.981 -0.0157 -0.46 -0.7886 -0.9865 3556210 CMLD3_000216 COc1ccc(/C=C/NC(=O)Cc2ccc(OC)c(OC)c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M19 compound treatment 0.955 -0.0405 -1.17 0.966 -0.0307 -0.91 -1.4708 -0.9921 3556212 CMLD3_000217 CCOP(=O)(CC(C(O)c1ccccc1)C(=O)C)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M20 compound treatment 0.971 -0.0245 -0.71 0.968 -0.0287 -0.85 -1.1013 -0.9959 3556213 CMLD3_000218 CCOC(=O)[C@]1(CCCC1=O)[C@@H](NC(=O)OC)/C=C/c2ccco2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M21 compound treatment 1.002 0.00654 0.19 0.975 -0.0217 -0.64 -0.3201 -0.4781 3556215 CMLD3_000219 CC1(C)O[C@H]([C@@H](O1)C(O)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(O)(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)c5cc(cc(c5)C(F)(F)F)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M22 compound treatment 0.987 -0.00846 -0.24 0.979 -0.0177 -0.52 -0.5437 -0.94 3556217 CMLD3_000220 COC(=O)[C@]1(CCCC1=O)[C@@H](NC(=O)O/C=C/C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M23 compound treatment 0.974 -0.0215 -0.62 0.973 -0.0237 -0.7 -0.9353 -0.9982 3556219 CMLD3_000221 CC1(O)C(=O)C=C2C=C(CCCCOCc3ccccc3)OC=C2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 M24 compound treatment 0.996 5.45E-4 0.02 1.0 0.00328 0.1 0.0797 0.8115 3556220 CMLD3_000222 COC(=O)N[C@H](/C(=C(\C)/NCc1ccccc1)/C(=O)OC)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N01 compound treatment 0.982 -0.0135 -0.39 0.995 -0.00172 -0.05 -0.3116 -0.7928 3556222 CMLD3_000223 COc1ccc2C(=O)[C@@H](OC(=O)Nc3cc(OC)c(OC)c(OC)c3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N02 mock treatment 0.968 -0.0275 -0.8 0.975 -0.0217 -0.64 -1.0164 -0.9944 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N03 compound treatment 0.976 -0.0195 -0.56 0.975 -0.0217 -0.64 -0.8526 -0.9979 3556224 CMLD3_000224 COc1ccc2O[C@@H]([C@@H](OC(=O)Nc3ccc(OC(F)F)cc3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N04 compound treatment 1.054 0.0585 1.7 1.026 0.0293 0.87 1.811 0.9513 3556226 CMLD3_000225 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N05 compound treatment 0.973 -0.0225 -0.65 0.977 -0.0197 -0.58 -0.8722 -0.9985 3556228 CMLD3_000226 COc1ccc2O[C@@H]([C@@H](O)C(=O)c2c1)c3ccc(OC)c(Br)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N06 compound treatment 0.988 -0.00746 -0.22 0.977 -0.0197 -0.58 -0.565 -0.9086 3556229 CMLD3_000227 COC(=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H](Oc3ccc(OC)cc3C2=O)c4cccc(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N07 compound treatment 0.986 -0.00946 -0.27 0.994 -0.00272 -0.08 -0.2506 -0.8779 3556231 CMLD3_000228 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NCCc4ccc(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N08 compound treatment 0.989 -0.00646 -0.19 0.977 -0.0197 -0.58 -0.5445 -0.8892 3556233 CMLD3_000229 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NCCOc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N09 mock treatment 0.989 -0.00646 -0.19 0.991 -0.00572 -0.17 -0.2518 -0.9988 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N10 mock treatment 0.973 -0.0225 -0.65 0.963 -0.0337 -1.0 -1.1649 -0.9786 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N11 mock treatment 0.973 -0.0225 -0.65 0.977 -0.0197 -0.58 -0.8722 -0.9985 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N12 compound treatment 0.971 -0.0245 -0.71 0.968 -0.0287 -0.85 -1.1013 -0.9959 3556235 CMLD3_000230 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)NCc4ccco4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N13 mock treatment 0.973 -0.0225 -0.65 0.986 -0.0107 -0.32 -0.684 -0.9455 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N14 mock treatment 0.976 -0.0195 -0.56 0.968 -0.0287 -0.85 -0.9989 -0.9801 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N15 compound treatment 0.976 -0.0195 -0.56 0.975 -0.0217 -0.64 -0.8526 -0.9979 3556237 CMLD3_000231 CC(=O)c1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/c3ccc(Cl)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N16 compound treatment 0.957 -0.0385 -1.11 0.958 -0.0387 -1.14 -1.5971 -0.9999 3556239 CMLD3_000232 CCCCC#C[C@H]1O[C@H](CO)[C@@H](Oc2ccc(OC)cc2)C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N17 compound treatment 0.982 -0.0135 -0.39 0.994 -0.00272 -0.08 -0.3325 -0.8356 3556241 CMLD3_000233 COC(=O)N[C@H](C(C(=O)C)C(=O)OCC=C)c1cccc(c1)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N18 compound treatment 0.984 -0.0115 -0.33 0.972 -0.0247 -0.73 -0.7515 -0.9361 3556243 CMLD3_000234 COC(=O)N[C@H](C(C(=O)C)C(=O)OCC=C)c1cccs1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N19 compound treatment 0.989 -0.00646 -0.19 0.993 -0.00372 -0.11 -0.21 -0.9681 3556191 CMLD3_000235 CCCCCCC1Cc2cc(OC)c(OC)cc2C(O1)C(C(=O)OCC)C(=O)OCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N20 compound treatment 0.973 -0.0225 -0.65 0.988 -0.00872 -0.26 -0.6422 -0.918 3556245 CMLD3_000236 COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(=O)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N21 mock treatment 0.97 -0.0255 -0.74 0.994 -0.00272 -0.08 -0.5782 -0.7797 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N22 compound treatment 0.97 -0.0255 -0.74 0.974 -0.0227 -0.67 -0.9963 -0.9989 3556247 CMLD3_000237 CCC1(CC2(CC)C(CC1=O)c3ccccc3)C=C2/C=C/c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N23 compound treatment 0.959 -0.0365 -1.06 0.985 -0.0117 -0.35 -0.9916 -0.8924 3556249 CMLD3_000238 CC1(CC2(C)C(CC1=O)c3ccc(F)cc3)C=C2/C=C/c4ccc(F)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 N24 mock treatment 0.982 -0.0135 -0.39 0.988 -0.00872 -0.26 -0.4579 -0.9799 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O01 compound treatment 0.993 -0.00246 -0.07 1.006 0.00928 0.27 0.1437 0.507 3556251 CMLD3_000239 COc1ccc2O[C@@H]([C@@H](OC(=O)N[C@H](C)C3CCCCC3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O02 compound treatment 0.992 -0.00346 -0.1 1.005 0.00828 0.24 0.1023 0.3869 3556253 CMLD3_000240 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O03 compound treatment 0.992 -0.00346 -0.1 0.999 0.00228 0.07 -0.0232 -0.192 3556254 CMLD3_000241 COc1ccc2C(=O)[C@@H](OC(=O)N[C@H]3CCCc4ccccc34)[C@@H](Oc2c1)c5cccc(c5)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O04 compound treatment 1.017 0.0215 0.62 1.014 0.0173 0.51 0.8024 0.9951 3556256 CMLD3_000242 COc1ccc2C(=O)[C@H](OC(=O)Nc3ccc(C)c(Br)c3)[C@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O05 compound treatment 0.997 0.00154 0.04 0.995 -0.00172 -0.05 -0.0044 -0.0648 3131449 CMLD3_000243 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O06 compound treatment 0.995 -4.55E-4 -0.01 1.009 0.0123 0.36 0.2473 0.681 3556257 CMLD3_000244 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)N[C@H]4CCCc5ccccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O07 mock treatment 0.992 -0.00346 -0.1 1.004 0.00728 0.22 0.0814 0.3429 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O08 mock treatment 0.979 -0.0165 -0.48 0.992 -0.00472 -0.14 -0.4357 -0.8774 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O09 mock treatment 0.991 -0.00446 -0.13 1.008 0.0113 0.33 0.1445 0.4042 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O10 compound treatment 0.959 -0.0365 -1.06 0.973 -0.0237 -0.7 -1.2425 -0.9803 3556259 CMLD3_000245 COc1cccc(c1)[C@@H]2Oc3ccc(OC)cc3C[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O11 mock treatment 0.99 -0.00546 -0.16 1.003 0.00628 0.19 0.0195 0.08 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O12 mock treatment 1.007 0.0115 0.33 1.012 0.0153 0.45 0.5558 0.989 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O13 compound treatment 0.971 -0.0245 -0.71 0.966 -0.0307 -0.91 -1.1431 -0.9924 3556261 CMLD3_000246 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)C#Cc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O14 compound treatment 0.987 -0.00846 -0.24 0.992 -0.00472 -0.14 -0.2719 -0.9645 3556263 CMLD3_000247 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)C#Cc2ccc(C)cc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O15 compound treatment 1.002 0.00654 0.19 1.002 0.00528 0.16 0.2443 0.9953 3556265 CMLD3_000248 CC(=O)c1ccc(O[C@@H]2[C@H](O)CO[C@H]2/C=C/c3ccc(Cl)cc3)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O16 compound treatment 0.991 -0.00446 -0.13 0.992 -0.00472 -0.14 -0.19 -0.9992 3556008 CMLD3_000249 COc1ccc(O[C@H]2C=C[C@H](O[C@@H]2CO)C#Cc3ccc(F)cc3F)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O17 compound treatment 0.995 -4.55E-4 -0.01 1.01 0.0133 0.39 0.2682 0.683 3556266 CMLD3_000250 CC(=CCC1(CC=C(C)C)C(=O)C(=C2OC(C)(C)CCC2(CC=C(C)C)C1=O)C(=O)c3ccccc3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O18 compound treatment 0.988 -0.00746 -0.22 0.999 0.00228 0.07 -0.1051 -0.4646 3556267 CMLD3_000251 CC1(CC2(C)C(CC1=O)/C=C/c3ccccc3)C=C2/C=C/C=C/c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O19 compound treatment 0.993 -0.00246 -0.07 1.005 0.00828 0.24 0.1228 0.4817 1125649 CMLD3_000252 CNc1ccccc1C(=O)OCC(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O20 mock treatment 0.994 -0.00146 -0.04 1.022 0.0253 0.75 0.4986 0.6662 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O21 mock treatment 0.981 -0.0145 -0.42 0.998 0.00128 0.04 -0.2693 -0.6407 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O22 compound treatment 0.993 -0.00246 -0.07 1.012 0.0153 0.45 0.2691 0.5885 3556269 CMLD3_000253 CNc1ccccc1C(=O)OCC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O23 compound treatment 1.016 0.0205 0.59 1.022 0.0253 0.75 0.9492 0.9936 3556270 CMLD3_000254 COc1ccc(/C=C/NC(=O)c2ccc(OC)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 O24 compound treatment 1.019 0.0235 0.68 1.018 0.0213 0.63 0.927 0.9992 3556272 CMLD3_000255 COC(=O)N[C@H](/C(=C(\C)/NCc1ccccc1)/C(=O)OC)c2ccc(Cl)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P01 compound treatment 0.996 5.45E-4 0.02 0.994 -0.00272 -0.08 -0.0458 -0.558 3556274 CMLD3_000256 COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c3cccc(c3)C(F)(F)F)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P02 mock treatment 1.016 0.0205 0.59 1.002 0.00528 0.16 0.531 0.8633 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P03 mock treatment 0.998 0.00254 0.07 1.009 0.0123 0.36 0.3088 0.8337 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P04 compound treatment 0.994 -0.00146 -0.04 0.979 -0.0177 -0.52 -0.4003 -0.7615 3556276 CMLD3_000257 COc1ccc2O[C@@H]([C@@H](OC(=O)Nc3ccc(C)c(Br)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P05 compound treatment 0.981 -0.0145 -0.42 1.0 0.00328 0.1 -0.2275 -0.5295 3011477 CMLD3_000258 COc1cccc(c1)[C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P06 compound treatment 1.001 0.00554 0.16 1.002 0.00528 0.16 0.2239 0.9999 3556277 CMLD3_000259 COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1[C@@H](Oc2ccc(OC)cc2C1=O)c3cccc(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P07 compound treatment 0.998 0.00254 0.07 0.999 0.00228 0.07 0.0997 0.999 3556279 CMLD3_000260 COc1ccc2O[C@H]([C@H](OC(=O)NCCc3ccc(OC)c(OC)c3)C(=O)c2c1)c4ccc(OC)c(Br)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P08 compound treatment 0.979 -0.0165 -0.48 0.994 -0.00272 -0.08 -0.3939 -0.815 3556280 CMLD3_000261 COc1ccc2C(=O)[C@@H](OC(=O)NS(=O)(=O)c3ccc(C)cc3)[C@@H](Oc2c1)c4cccc(c4)C(F)(F)F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P09 mock treatment 0.996 5.45E-4 0.02 0.994 -0.00272 -0.08 -0.0458 -0.558 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P10 compound treatment 0.996 5.45E-4 0.02 0.995 -0.00172 -0.05 -0.0249 -0.4664 3556282 CMLD3_000262 COc1ccc2C(=O)[C@H](OC(=O)NS(=O)(=O)c3ccc(C)cc3)[C@H](Oc2c1)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P11 mock treatment 0.999 0.00354 0.1 0.996 -7.23E-4 -0.02 0.0575 0.5481 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P12 mock treatment 0.996 5.45E-4 0.02 0.994 -0.00272 -0.08 -0.0458 -0.558 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P13 compound treatment 0.989 -0.00646 -0.19 0.985 -0.0117 -0.35 -0.3773 -0.958 3556284 CMLD3_000263 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P14 compound treatment 1.008 0.0125 0.36 1.005 0.00828 0.24 0.4299 0.9815 3556286 CMLD3_000264 CCOC(=O)OC[C@H]1O[C@@H](C=C[C@@H]1OC(=O)OCC)C#Cc2ccc(F)cc2F 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P15 compound treatment 0.999 0.00354 0.1 0.982 -0.0147 -0.44 -0.2352 -0.5259 3556288 CMLD3_000265 Cc1cc(C)cc(/C=C/[C@@H]2OC[C@@H](O)[C@H]2Oc3ccc(cc3)C4CCCC4)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P16 compound treatment 1.006 0.0105 0.31 0.98 -0.0167 -0.49 -0.1337 -0.23 3556289 CMLD3_000266 Cc1cc(F)ccc1O[C@H]2C=C[C@H](O[C@@H]2CO)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P17 compound treatment 0.985 -0.0105 -0.3 0.991 -0.00572 -0.17 -0.3338 -0.9622 3556073 CMLD3_000267 Clc1cc2nc3-c4ccccc4OC(CC=C)(c5ccccc5)c3nc2cc1Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P18 compound treatment 0.993 -0.00246 -0.07 1.02 0.0233 0.69 0.4364 0.6307 3556291 CMLD3_000268 COc1ccc(cc1)C(=O)Oc2cc(OC)cc(OC)c2C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P19 compound treatment 1.004 0.00854 0.25 1.015 0.0183 0.54 0.5571 0.9373 3556292 CMLD3_000269 CC(=C)C(O)/C=C/c1ccc(Br)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P20 mock treatment 1.013 0.0175 0.51 1.002 0.00528 0.16 0.4696 0.8835 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P21 compound treatment 0.977 -0.0185 -0.53 0.979 -0.0177 -0.52 -0.7485 -1.0 3556294 CMLD3_000270 COC(=O)N[C@@H](/C=C/c1ccco1)[C@@]2(CCCC2=O)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P22 compound treatment 0.998 0.00254 0.07 1.021 0.0243 0.72 0.5597 0.7756 3556296 CMLD3_000271 CC1(C)O[C@H]([C@@H](O1)C(O)(c2cc(F)c(F)c(F)c2)c3cc(F)c(F)c(F)c3)C(O)(c4cc(F)c(F)c(F)c4)c5cc(F)c(F)c(F)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P23 compound treatment 1.017 0.0215 0.62 1.015 0.0183 0.54 0.8233 0.9974 3556298 CMLD3_000272 COC(=O)N[C@H](C(C(=O)C)C(=O)OCC=C)c1ccco1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2284 P24 mock treatment 1.027 0.0315 0.91 1.0 0.00328 0.1 0.7145 0.7777 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A01 compound treatment 1.015 0.0108 0.31 1.018 0.0141 0.42 0.5151 0.9901 1001670 ACon1_000001 COc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A02 compound treatment 0.987 -0.0172 -0.5 0.99 -0.0139 -0.41 -0.6437 -0.9956 1023904 ACon1_000002 Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A03 compound treatment 1.004 -2.03E-4 -0.01 1.0 -0.00394 -0.12 -0.0865 -0.7419 3552049 ACon1_000003 C/C=C(\COC(=O)C)/C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)C3C(=C(C)[C@H]1O)C(=O)[C@H]4O[C@]43C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A04 compound treatment 0.996 -0.0082 -0.24 0.995 -0.00894 -0.26 -0.3548 -0.9986 1039 ACon1_000004 CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A05 compound treatment 1.0 -0.0042 -0.12 0.997 -0.00694 -0.21 -0.2311 -0.969 3559511 ACon1_000005 COC(=O)CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@]3(CCC12)C=C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A06 compound treatment 0.992 -0.0122 -0.35 0.99 -0.0139 -0.41 -0.5413 -0.9971 3551992 ACon1_000006 C/C/1=C\CCC2=CC(C\C(=C\C3OC(=O)C(=C)C3CC1)\C)OC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A07 compound treatment 0.98 -0.0242 -0.7 0.972 -0.0319 -0.94 -1.1633 -0.9892 3189572 ACon1_000007 CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@H]41 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A08 compound treatment 1.056 0.0518 1.5 1.03 0.0261 0.77 1.6056 0.9521 1116885 ACon1_000008 CCC(C)C1NC(=O)C(=C1O)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A09 compound treatment 1.035 0.0308 0.89 1.019 0.0151 0.45 0.9456 0.9485 3559537 ACon1_000009 C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]3(C)[C@@H](O)[C@@H](O)CC13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A10 compound treatment 1.0 -0.0042 -0.12 0.992 -0.0119 -0.35 -0.3356 -0.899 3559847 ACon1_000010 OC[C@H]1O[C@@H](OCCC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A11 compound treatment 0.999 -0.0052 -0.15 1.003 -9.38E-4 -0.03 -0.1262 -0.8234 3559600 ACon1_000011 COc1ccc2oc(c(O)c(=O)c2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A12 compound treatment 0.912 -0.0922 -2.67 0.937 -0.0669 -1.98 -3.2876 -0.9891 3557478 ACon1_000012 CC(=CCc1c(O)ccc2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A13 mock treatment 0.988 -0.0162 -0.47 0.981 -0.0229 -0.68 -0.8114 -0.9838 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A14 mock treatment 0.985 -0.0192 -0.56 0.983 -0.0209 -0.62 -0.831 -0.9986 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A15 compound treatment 1.007 0.0028 0.08 1.003 -9.38E-4 -0.03 0.0377 0.4401 1138815 ACon1_000013 COc1cccc2OC(CC(=O)c12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A16 compound treatment 1.052 0.0478 1.38 1.053 0.0491 1.45 2.0045 0.9997 3553257 ACon1_000014 CC(=O)N(O)CCCC1NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN(O)C(=O)C)NC(=O)C(CCCN(O)C(=O)C)NC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A17 compound treatment 1.023 0.0188 0.54 1.007 0.00306 0.09 0.449 0.8135 1527185 ACon1_000015 COc1ccccc1c2cc(=O)c3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A18 compound treatment 0.993 -0.0112 -0.32 0.989 -0.0149 -0.44 -0.5417 -0.9885 3558773 ACon1_000016 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A19 compound treatment 1.007 0.0028 0.08 1.004 6.25E-5 0.0 0.0586 0.7231 3559667 ACon1_000017 CCC1=CC2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@H]31)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A20 compound treatment 1.014 0.0098 0.28 1.012 0.00806 0.24 0.3692 0.9962 3558449 ACon1_000018 C[C@@H]1OC(OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A21 compound treatment 1.009 0.0048 0.14 1.007 0.00306 0.09 0.1623 0.9785 1530 ACon1_000019 COc1ccc2c3CCN=C(C)c3[nH]c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A22 compound treatment 0.999 -0.0052 -0.15 0.999 -0.00494 -0.15 -0.2098 -0.9999 3559224 ACon1_000020 CC(=O)c1ccc2OC(Cc2c1)C(=C)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A23 compound treatment 1.01 0.0058 0.17 1.003 -9.38E-4 -0.03 0.0991 0.5825 3554786 ACon1_000021 COc1cc(/C=C/2\Oc3cc(O)ccc3C2=O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 A24 compound treatment 1.006 0.0018 0.05 1.0 -0.00394 -0.12 -0.0455 -0.357 3559348 ACon1_000022 CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccccc2COC(=O)C3(O)C=CCCC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B01 compound treatment 0.992 -0.0122 -0.35 0.995 -0.00894 -0.26 -0.4368 -0.9897 3557968 ACon1_000023 CC(=CCc1c(O)c(CC=C(C)C)c2occ(c3ccc(O)cc3)c(=O)c2c1O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B02 compound treatment 1.002 -0.0022 -0.06 1.006 0.00206 0.06 -0.002 -0.0226 3555955 ACon1_000024 OCC(=C)C(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](CC2=C)OC(=O)C(=C)CO)C1=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B03 compound treatment 0.987 -0.0172 -0.5 1.004 6.25E-5 0.0 -0.351 -0.7045 3552206 ACon1_000025 C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B04 compound treatment 1.012 0.0078 0.23 1.011 0.00706 0.21 0.3073 0.9992 3554785 ACon1_000026 COc1c2occ(COC(=O)C)c2c(C=O)c3c(C)cccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B05 compound treatment 0.969 -0.0352 -1.02 0.985 -0.0189 -0.56 -1.1168 -0.9602 3557493 ACon1_000027 CC1(C)CCCC2(C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B06 compound treatment 0.98 -0.0242 -0.7 0.972 -0.0319 -0.94 -1.1633 -0.9892 3614336 ACon1_000028 CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O)O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B07 compound treatment 1.031 0.0268 0.78 1.019 0.0151 0.45 0.8637 0.9652 3557846 ACon1_000029 O[C@@H]1[C@@H](O)[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)O[C@@H]([C@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B08 compound treatment 0.998 -0.0062 -0.18 0.984 -0.0199 -0.59 -0.5439 -0.8825 3557557 ACon1_000030 C/C(=C/CC\C(=C\CC\C(=C\CC/C(=C\CO)/CO)\C)\C)/CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B09 compound treatment 0.996 -0.0082 -0.24 0.985 -0.0189 -0.56 -0.5639 -0.9271 3554854 ACon1_000031 COc1cc(C)cc(C(=O)O)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B10 compound treatment 1.008 0.0038 0.11 1.0 -0.00394 -0.12 -0.0046 -0.0285 3553850 ACon1_000032 CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B11 compound treatment 0.993 -0.0112 -0.32 0.992 -0.0119 -0.35 -0.479 -0.9991 2060482 ACon1_000033 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B12 compound treatment 1.025 0.0208 0.6 0.97 -0.0339 -1.0 -0.2836 -0.2424 3559288 ACon1_000034 CC1OC(OC2C(O)C(O[C@H]3[C@H](C)O[C@@H](OC4C(O)C(O)COC4OC(=O)[C@@]56CCC(C)(C)CC6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)CC5)[C@H](O)[C@@H]3O)OCC2O[C@H]%11OC[C@](O)(CO)[C@H]%11O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B13 mock treatment 0.993 -0.0112 -0.32 0.991 -0.0129 -0.38 -0.4999 -0.9966 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B14 mock treatment 0.983 -0.0212 -0.61 0.99 -0.0139 -0.41 -0.7256 -0.9812 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B15 compound treatment 0.981 -0.0232 -0.67 0.979 -0.0249 -0.74 -0.9965 -0.9989 3559345 ACon1_000035 CC(=CCc1cc(cc(O)c1O)c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B16 compound treatment 0.983 -0.0212 -0.61 0.996 -0.00794 -0.23 -0.6001 -0.9129 3554649 ACon1_000036 COC(=O)C(=C)[C@]1(O[C@]2(C)CC1=O)[C@H](C[C@@]3(C)OC(=O)/C(=C/C)/[C@]3(O)CC2)OC(=O)C(CO)CN4CCCC4C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B17 compound treatment 0.996 -0.0082 -0.24 1.002 -0.00194 -0.06 -0.2085 -0.8532 3559460 ACon1_000037 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B18 compound treatment 1.02 0.0158 0.46 1.017 0.0131 0.39 0.5966 0.9965 3557695 ACon1_000038 COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B19 compound treatment 1.021 0.0168 0.49 1.025 0.0211 0.62 0.7843 0.9925 3558409 ACon1_000039 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C=C(COC(=O)c4ccc(O)cc4)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B20 compound treatment 1.009 0.0048 0.14 1.009 0.00506 0.15 0.2041 0.9993 3557530 ACon1_000040 COC(=O)C(=C)[C@@H]1[C@@H](O)C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B21 compound treatment 1.013 0.0088 0.25 1.016 0.0121 0.36 0.4323 0.9864 3559391 ACon1_000041 COc1cc(cc(OC)c1O)C2C(CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)C(CO)Cc4cc(OC)c(O)c(O)c24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B22 compound treatment 1.002 -0.0022 -0.06 1.006 0.00206 0.06 -0.002 -0.0226 3557713 ACon1_000042 CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4(O)CC(OC(=O)C)C3=C2)C6=CC(=O)OC6)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B23 compound treatment 1.005 7.97E-4 0.02 1.008 0.00406 0.12 0.1013 0.8278 3559546 ACon1_000043 CC12CCC=C(CO)C2CC3C(C1)OC(=O)C3=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 B24 compound treatment 1.01 0.0058 0.17 1.011 0.00706 0.21 0.2664 0.9941 3557636 ACon1_000044 OC(=O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C01 compound treatment 1.028 0.0238 0.69 1.025 0.0211 0.62 0.9277 0.9987 3558824 ACon1_000045 OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C02 compound treatment 1.071 0.0668 1.93 1.058 0.0541 1.6 2.4981 0.9955 3559748 ACon1_000046 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C03 compound treatment 1.022 0.0178 0.52 1.023 0.0191 0.56 0.763 0.999 831758 ACon1_000047 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C04 compound treatment 1.057 0.0528 1.53 1.058 0.0541 1.6 2.2114 0.9998 1054577 ACon1_000048 COc1cc(cc(OC)c1OC)c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C05 compound treatment 1.033 0.0288 0.83 1.01 0.00606 0.18 0.7165 0.8399 3558524 ACon1_000049 COc1c(O)c2c(=O)c(O)c(oc2c(OC)c1OC)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C06 compound treatment 1.007 0.0028 0.08 1.007 0.00306 0.09 0.1213 0.9985 3559371 ACon1_000050 COC(=O)C1=CO[C@@H](OC2OC(O)C(O)C(O)C2CO)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C07 compound treatment 1.039 0.0348 1.01 1.024 0.0201 0.59 1.132 0.9681 3559455 ACon1_000051 COc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C08 compound treatment 1.023 0.0188 0.54 1.019 0.0151 0.45 0.6998 0.995 3559354 ACon1_000052 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C09 compound treatment 1.037 0.0328 0.95 1.039 0.0351 1.04 1.4047 0.999 3553479 ACon1_000053 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C10 compound treatment 0.973 -0.0312 -0.9 0.978 -0.0259 -0.77 -1.1812 -0.9967 3553171 ACon1_000054 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)[C@H]([C@H](O)C(C)(C)C5CC[C@]43C)C(=O)O)C12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C11 mock treatment 1.018 0.0138 0.4 1.015 0.0111 0.33 0.5138 0.9951 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C12 mock treatment 1.024 0.0198 0.57 1.021 0.0171 0.5 0.7621 0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C13 compound treatment 1.023 0.0188 0.54 1.02 0.0161 0.47 0.7207 0.9977 1016235 ACon1_000055 O=c1cc(oc2ccccc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C14 compound treatment 1.012 0.0078 0.23 1.01 0.00606 0.18 0.2864 0.9935 3553953 ACon1_000056 CC12CC3(CC2C1CC34)CC(O)C5C(CO)(CO)CC(=O)CC45C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C15 mock treatment 1.022 0.0178 0.52 1.023 0.0191 0.56 0.763 0.999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C16 mock treatment 0.991 -0.0132 -0.38 0.991 -0.0129 -0.38 -0.5409 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C17 compound treatment 0.991 -0.0132 -0.38 0.987 -0.0169 -0.5 -0.6245 -0.9911 1134 ACon1_000057 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C18 compound treatment 1.001 -0.0032 -0.09 1.01 0.00606 0.18 0.0612 0.303 3557809 ACon1_000058 COc1cc(/C=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C19 compound treatment 1.018 0.0138 0.4 1.022 0.0181 0.53 0.6602 0.9898 3559685 ACon1_000059 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)CCc2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C20 compound treatment 1.021 0.0168 0.49 1.019 0.0151 0.45 0.6589 0.999 3559829 ACon1_000060 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C21 compound treatment 1.077 0.0728 2.11 1.069 0.0651 1.92 2.851 0.999 297849 ACon1_000061 COc1ccc2c(c1)[nH]c3c(C)nccc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C22 compound treatment 1.005 7.97E-4 0.02 1.011 0.00706 0.21 0.164 0.7805 3559835 ACon1_000062 COc1cc2ccc(=O)oc2c(CC=C(C)C)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C23 compound treatment 1.018 0.0138 0.4 1.02 0.0161 0.47 0.6183 0.9963 3559675 ACon1_000063 Oc1ccc(cc1)[C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2[C@H]4[C@@H](Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 C24 compound treatment 1.047 0.0428 1.24 1.047 0.0431 1.27 1.7767 0.9999 3557563 ACon1_000064 CC(=CC(O)C/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D01 compound treatment 1.079 0.0748 2.17 1.067 0.0631 1.86 2.8501 0.9972 4614 ACon1_000065 CCCCCCC/C=C\[C@H](O)C#CC#C[C@@H](O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D02 compound treatment 1.059 0.0548 1.59 1.049 0.0451 1.33 2.0642 0.9962 3559481 ACon1_000066 C/C/1=C\[C@H]2OC(=O)C(=C)C2[C@@H](C\C(=C\CC1)\C)OC(=O)\C(=C\CO)\CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D03 compound treatment 1.009 0.0048 0.14 1.017 0.0131 0.39 0.3713 0.9047 3558310 ACon1_000067 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D04 compound treatment 1.007 0.0028 0.08 1.008 0.00406 0.12 0.1422 0.9816 3559638 ACon1_000068 CC(=CCc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D05 compound treatment 1.008 0.0038 0.11 1.006 0.00206 0.06 0.1209 0.9613 3555862 ACon1_000069 OC(=O)CCCCCCC/C=C/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D06 compound treatment 1.027 0.0228 0.66 1.021 0.0171 0.5 0.8236 0.9912 3559157 ACon1_000070 COc1c(CO)c(O)cc2C(=O)c3ccccc3C(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D07 compound treatment 1.018 0.0138 0.4 1.011 0.00706 0.21 0.4302 0.9542 3557565 ACon1_000071 CC(=CCC/C(=C/COc1ccc2ccc(=O)oc2c1)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D08 compound treatment 1.012 0.0078 0.23 1.009 0.00506 0.15 0.2655 0.9801 3554888 ACon1_000072 COc1cc(ccc1O)c2oc3cc(O)c(OC)c(O)c3c(=O)c2O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]6OCC(O)(CO)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D09 compound treatment 1.003 -0.0012 -0.03 1.005 0.00106 0.03 -0.0024 -0.0517 3558155 ACon1_000073 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D10 compound treatment 1.011 0.0068 0.2 1.015 0.0111 0.33 0.3705 0.9705 3614338 ACon1_000074 CC(C)C(NC(=O)c1ccc(O)cc1)C(=O)N2CCCC2C(=O)Nc3c(O)cccc3C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D11 mock treatment 1.002 -0.0022 -0.06 1.009 0.00506 0.15 0.0607 0.3732 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D12 mock treatment 1.013 0.0088 0.25 1.001 -0.00294 -0.09 0.1187 0.4411 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D13 compound treatment 1.01 0.0058 0.17 1.014 0.0101 0.3 0.3291 0.9633 1251 ACon1_000075 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D14 compound treatment 1.016 0.0118 0.34 1.016 0.0121 0.36 0.4938 0.9998 3554269 ACon1_000076 CCCCCC(O)CC(O)CC(=O)OC(CC(O)CCCCC)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D15 mock treatment 1.0 -0.0042 -0.12 1.003 -9.38E-4 -0.03 -0.1057 -0.8465 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D16 mock treatment 1.012 0.0078 0.23 1.013 0.00906 0.27 0.3491 0.9964 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D17 compound treatment 1.031 0.0268 0.78 1.035 0.0311 0.92 1.1982 0.9965 3559890 ACon1_000077 COc1c(O)cc2occ(c3ccccc3O)c(=O)c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D18 compound treatment 1.014 0.0098 0.28 1.01 0.00606 0.18 0.3274 0.9755 3557697 ACon1_000078 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D19 compound treatment 1.021 0.0168 0.49 1.024 0.0201 0.59 0.7634 0.9951 3557614 ACon1_000079 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D20 compound treatment 1.037 0.0328 0.95 1.037 0.0331 0.98 1.3628 0.9999 3554651 ACon1_000080 COC(=O)C(=C)[C@H]1[C@H](O)C2C(=C)C(=O)OC[C@]2(C[C@@H]1OC(=O)C(=C)CO)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D21 compound treatment 1.015 0.0108 0.31 1.02 0.0161 0.47 0.5569 0.9794 3558580 ACon1_000081 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D22 compound treatment 1.018 0.0138 0.4 1.021 0.0171 0.5 0.6393 0.9933 3557892 ACon1_000082 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3C[C@H](OC(=O)C)[C@](O)(COC(=O)C)[C@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D23 compound treatment 1.023 0.0188 0.54 1.026 0.0221 0.65 0.8462 0.996 3559584 ACon1_000083 CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(CC3=CC[C@H]12)C(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 D24 compound treatment 1.018 0.0138 0.4 1.025 0.0211 0.62 0.7229 0.977 3554996 ACon1_000084 COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(CC[C@H](C5=CC(=O)OC5)[C@@]6(C)CCC34)C6=O)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E01 mock treatment 1.028 0.0238 0.69 1.026 0.0221 0.65 0.9486 0.9996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E02 mock treatment 1.036 0.0318 0.92 1.033 0.0291 0.86 1.2587 0.9994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E03 compound treatment 1.025 0.0208 0.6 1.025 0.0211 0.62 0.8662 0.9999 451 ACon1_000085 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E04 compound treatment 1.004 -2.03E-4 -0.01 1.007 0.00306 0.09 0.0599 0.6598 687 ACon1_000086 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E05 compound treatment 1.054 0.0498 1.44 1.053 0.0491 1.45 2.0455 1.0 1225 ACon1_000087 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E06 compound treatment 1.022 0.0178 0.52 1.025 0.0211 0.62 0.8048 0.9956 3557593 ACon1_000088 C/C(=C/CO)/CC[C@@H]1[C@@](C)(O)CCC2C(C)(C)CCC[C@@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E07 compound treatment 1.039 0.0348 1.01 1.046 0.0421 1.24 1.592 0.9946 3559517 ACon1_000089 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@]1(CCc3ccoc3)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E08 compound treatment 1.023 0.0188 0.54 1.025 0.0211 0.62 0.8253 0.9978 3557755 ACon1_000090 COc1cc(CCCO)cc2C(CO)C(Oc21)c3ccc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)c(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E09 mock treatment 1.0 -0.0042 -0.12 1.009 0.00506 0.15 0.0198 0.1025 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E10 mock treatment 1.017 0.0128 0.37 1.022 0.0181 0.53 0.6397 0.9841 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E11 compound treatment 1.002 -0.0022 -0.06 1.006 0.00206 0.06 -0.002 -0.0226 3559616 ACon1_000091 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E12 compound treatment 1.097 0.0928 2.69 1.023 0.0191 0.56 2.2989 0.8372 3557829 ACon1_000092 CC(C)(O)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)C2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E13 compound treatment 1.008 0.0038 0.11 1.018 0.0141 0.42 0.3718 0.8644 1052342 ACon1_000093 Oc1ccc2c(=O)cc(oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E14 compound treatment 1.016 0.0118 0.34 1.019 0.0151 0.45 0.5565 0.9914 3555904 ACon1_000094 OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(O)(Cc4ccc(O)cc4)C(=O)c32)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E15 compound treatment 1.002 -0.0022 -0.06 0.996 -0.00794 -0.23 -0.2111 -0.8678 3554527 ACon1_000095 COC(=O)[C@@]1(O)C=CC[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E16 compound treatment 1.06 0.0558 1.62 1.058 0.0541 1.6 2.2729 1.0 3558041 ACon1_000096 O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E17 mock treatment 1.024 0.0198 0.57 1.015 0.0111 0.33 0.6367 0.9646 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E18 mock treatment 1.013 0.0088 0.25 1.013 0.00906 0.27 0.3696 0.9997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E19 compound treatment 1.034 0.0298 0.86 1.029 0.0251 0.74 1.1342 0.9971 976 ACon1_000097 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E20 compound treatment 1.036 0.0318 0.92 1.042 0.0381 1.13 1.4469 0.995 3554687 ACon1_000098 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E21 compound treatment 1.02 0.0158 0.46 1.02 0.0161 0.47 0.6593 0.9998 3553328 ACon1_000099 CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@]3(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E22 compound treatment 1.058 0.0538 1.56 1.078 0.0741 2.19 2.6501 0.9861 3559845 ACon1_000100 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E23 compound treatment 1.029 0.0248 0.72 1.026 0.0221 0.65 0.969 0.9988 1013994 ACon1_000101 Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 E24 compound treatment 1.04 0.0358 1.04 1.044 0.0401 1.18 1.5706 0.9978 3554732 ACon1_000102 COC(=O)c1cccc2nc3c(cccc3nc12)C(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F01 mock treatment 1.015 0.0108 0.31 1.016 0.0121 0.36 0.4733 0.9979 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F02 mock treatment 1.021 0.0168 0.49 1.016 0.0121 0.36 0.5962 0.9884 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F03 compound treatment 1.074 0.0698 2.02 1.074 0.0701 2.07 2.8941 0.9999 3557765 ACon1_000103 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F04 compound treatment 1.018 0.0138 0.4 1.018 0.0141 0.42 0.5765 0.9998 3559590 ACon1_000104 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F05 compound treatment 1.03 0.0258 0.75 1.031 0.0271 0.8 1.0941 0.9994 3557685 ACon1_000105 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F06 compound treatment 1.014 0.0098 0.28 1.009 0.00506 0.15 0.3065 0.9554 3554203 ACon1_000106 CCc1c(O)cc(OC)c2C(=O)C[C@@H](C)Oc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F07 compound treatment 1.051 0.0468 1.36 1.051 0.0471 1.39 1.9422 0.9999 3558903 ACon1_000107 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F08 compound treatment 1.081 0.0768 2.22 1.056 0.0521 1.54 2.6611 0.9838 3557773 ACon1_000108 COc1cc(/C=C/CO)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F09 mock treatment 1.022 0.0178 0.52 1.018 0.0141 0.42 0.6584 0.9943 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F10 mock treatment 1.03 0.0258 0.75 1.019 0.0151 0.45 0.8432 0.9694 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F11 compound treatment 1.03 0.0258 0.75 1.027 0.0231 0.68 1.0104 0.999 3559308 ACon1_000109 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F12 compound treatment 0.993 -0.0112 -0.32 0.994 -0.00994 -0.29 -0.4372 -0.9988 1216977 ACon1_000110 CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F13 compound treatment 1.017 0.0128 0.37 1.016 0.0121 0.36 0.5142 0.9998 3559144 ACon1_000111 CC1CCC2(CCC3(C)C(=CCC4C5(C)C[C@@H](O)[C@@H](O)C(C)(CO)C5CCC43C)C2C1(C)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F14 compound treatment 1.008 0.0038 0.11 1.005 0.00106 0.03 0.1 0.8741 3552034 ACon1_000112 C/C=C(\C)/C(=O)OC(\C=C\C(O)C(C)O)C1OC(=O)C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F15 compound treatment 1.052 0.0478 1.38 1.037 0.0331 0.98 1.67 0.9855 3552812 ACon1_000113 C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F16 compound treatment 1.004 -2.03E-4 -0.01 1.002 -0.00194 -0.06 -0.0447 -0.7756 3557622 ACon1_000114 COc1ccc(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F17 mock treatment 1.015 0.0108 0.31 1.016 0.0121 0.36 0.4733 0.9979 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F18 mock treatment 0.988 -0.0162 -0.47 0.987 -0.0169 -0.5 -0.6859 -0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F19 compound treatment 1.09 0.0858 2.48 1.108 0.104 3.08 3.9326 0.9944 3552693 ACon1_000115 C[C@@H]1CC[C@@]2(CC[C@]3(C)C4=CCC5C(C)(C)[C@H](CC[C@]5(C)C4CC[C@@]3(C)[C@@H]2[C@H]1C)O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F20 compound treatment 1.042 0.0378 1.09 1.055 0.0511 1.51 1.8416 0.9875 3554774 ACon1_000116 COc1c(OC/C=C(\C)/CC2OC(=O)C(=C2)C)ccc3ccc(=O)oc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F21 compound treatment 1.03 0.0258 0.75 1.018 0.0141 0.42 0.8223 0.9617 3559078 ACon1_000117 CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)OC(C2O)C(=O)O)C(OC9OC(CO)C(O)C(O)C9O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F22 compound treatment 1.026 0.0218 0.63 1.021 0.0171 0.5 0.8031 0.9938 3557936 ACon1_000118 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)c(c4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)cc6)c3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F23 compound treatment 1.021 0.0168 0.49 1.022 0.0181 0.53 0.7216 0.9989 3553532 ACon1_000119 CC(C)C(=O)OC1c2c(C)coc2C(=O)C3[C@@H](O)CC[C@H](C)[C@@]13C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 F24 compound treatment 1.039 0.0348 1.01 1.03 0.0261 0.77 1.2575 0.9912 3614339 ACon1_000120 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G01 compound treatment 1.024 0.0198 0.57 1.028 0.0241 0.71 0.9085 0.9943 3559490 ACon1_000121 CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)/CO)C(=CCC12)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G02 compound treatment 1.004 -2.03E-4 -0.01 1.001 -0.00294 -0.09 -0.0656 -0.7533 3060043 ACon1_000122 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G03 mock treatment 1.006 0.0018 0.05 1.004 6.25E-5 0.0 0.0381 0.7318 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G04 mock treatment 1.006 0.0018 0.05 1.003 -9.38E-4 -0.03 0.0172 0.2917 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G05 compound treatment 1.004 -2.03E-4 -0.01 1.009 0.00506 0.15 0.1017 0.6788 3559421 ACon1_000123 C[C@H](C[C@@H]1CC=CC(=O)O1)OC(=O)CCc2ccc(O)c(O)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G06 compound treatment 1.011 0.0068 0.2 1.007 0.00306 0.09 0.2032 0.9379 3559357 ACon1_000124 COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G07 compound treatment 1.029 0.0248 0.72 1.028 0.0241 0.71 1.0109 1.0 3559500 ACon1_000125 C[C@@]1(CCC2C(=C1)CCC3[C@@](C)(CCCC23C)C(=O)O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G08 compound treatment 1.01 0.0058 0.17 1.013 0.00906 0.27 0.3082 0.9746 3553967 ACon1_000126 CC1CC(=O)c2c(O)c3c(O)cc(O)c(c4c(O)cc(O)c5c(O)c6C(=O)CC(C)Oc6cc45)c3cc2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G09 compound treatment 1.005 7.97E-4 0.02 1.01 0.00606 0.18 0.1431 0.7916 3559571 ACon1_000127 COC(=O)/C=C(/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)\COC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G10 compound treatment 0.994 -0.0102 -0.3 0.992 -0.0119 -0.35 -0.4585 -0.9961 3557671 ACon1_000128 OCCC(=O)c1ccc(O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G11 compound treatment 0.986 -0.0182 -0.53 0.983 -0.0209 -0.62 -0.8105 -0.9968 3559625 ACon1_000129 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCc2ccoc2)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G12 compound treatment 0.978 -0.0262 -0.76 0.974 -0.0299 -0.89 -1.1625 -0.9971 3554892 ACon1_000130 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G13 compound treatment 0.995 -0.0092 -0.27 1.0 -0.00394 -0.12 -0.2708 -0.931 3552088 ACon1_000131 C/C=C/C=C/C(=O)NCCc1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G14 compound treatment 1.04 0.0358 1.04 1.038 0.0341 1.01 1.4452 0.9999 3554659 ACon1_000132 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G15 compound treatment 0.997 -0.0072 -0.21 0.998 -0.00594 -0.18 -0.2716 -0.9963 3559582 ACon1_000133 CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G16 compound treatment 1.043 0.0388 1.12 1.042 0.0381 1.13 1.5902 1.0 3552120 ACon1_000134 C[C@@]1(C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12)OC(=O)/C=C/c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G17 compound treatment 1.012 0.0078 0.23 1.008 0.00406 0.12 0.2446 0.9564 926 ACon1_000135 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G18 compound treatment 1.018 0.0138 0.4 1.014 0.0101 0.3 0.4929 0.9895 3559321 ACon1_000136 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@]54C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G19 mock treatment 1.012 0.0078 0.23 1.009 0.00506 0.15 0.2655 0.9801 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G20 mock treatment 1.012 0.0078 0.23 1.012 0.00806 0.24 0.3282 0.9996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G21 compound treatment 1.033 0.0288 0.83 1.02 0.0161 0.47 0.9255 0.9644 3559673 ACon1_000137 CC(=O)OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](OC3OC(CO)C(O)C(O)C3O)[C@@H]21 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G22 compound treatment 1.007 0.0028 0.08 1.011 0.00706 0.21 0.2049 0.915 3557624 ACon1_000138 COc1ccc(/C=C/C(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G23 compound treatment 0.995 -0.0092 -0.27 0.987 -0.0169 -0.5 -0.5426 -0.9564 895 ACon1_000139 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 G24 compound treatment 1.025 0.0208 0.6 1.027 0.0231 0.68 0.908 0.9981 3551965 ACon1_000140 C/C(=C\CC[C@](C)(O)C=C)/C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@]13O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H01 compound treatment 1.048 0.0438 1.27 1.054 0.0501 1.48 1.9435 0.997 3559838 ACon1_000141 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H02 compound treatment 1.02 0.0158 0.46 1.015 0.0111 0.33 0.5548 0.9865 3559607 ACon1_000142 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H03 mock treatment 1.006 0.0018 0.05 1.008 0.00406 0.12 0.1217 0.9299 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H04 mock treatment 1.015 0.0108 0.31 1.017 0.0131 0.39 0.4942 0.9945 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H05 compound treatment 1.017 0.0128 0.37 1.017 0.0131 0.39 0.5351 0.9998 1322 ACon1_000143 COc1cc2ccc(=O)oc2cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H06 compound treatment 1.0 -0.0042 -0.12 1.0 -0.00394 -0.12 -0.1684 -0.9998 3559370 ACon1_000144 COc1cc2oc(=O)ccc2cc1CC(O)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H07 compound treatment 1.02 0.0158 0.46 1.025 0.0211 0.62 0.7638 0.9885 3558770 ACon1_000145 Oc1cc(cc(O)c1O)C(=O)OC[C@H]2O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@@H]2OC(=O)c6cc(O)c(O)c(O)c6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H08 compound treatment 1.027 0.0228 0.66 1.031 0.0271 0.8 1.0326 0.9954 3557705 ACon1_000146 O=C(/C=C/CCc1ccc2OCOc2c1)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H09 compound treatment 0.984 -0.0202 -0.59 0.989 -0.0149 -0.44 -0.726 -0.9904 3553890 ACon1_000147 CC1(O)CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H10 compound treatment 0.988 -0.0162 -0.47 0.985 -0.0189 -0.56 -0.7277 -0.9961 3554182 ACon1_000148 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H11 compound treatment 0.999 -0.0052 -0.15 0.995 -0.00894 -0.26 -0.2934 -0.9645 3557869 ACon1_000149 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H12 compound treatment 1.009 0.0048 0.14 1.004 6.25E-5 0.0 0.0995 0.7164 3555354 ACon1_000150 COc1oc2cccc(C)c2c(=O)c1C(C)(C)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H13 compound treatment 1.015 0.0108 0.31 1.013 0.00906 0.27 0.4106 0.997 3553324 ACon1_000151 CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)C2(O)C=CCCC2=O)O[C@H]1Oc3ccccc3COC(=O)C4(O)C=CCCC4=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H14 compound treatment 0.996 -0.0082 -0.24 1.004 6.25E-5 0.0 -0.1667 -0.7016 3557583 ACon1_000152 CC1CCC2=C(CCCC2(C)C(=O)O)C1(C)CCc3ccoc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H15 compound treatment 1.007 0.0028 0.08 1.013 0.00906 0.27 0.2467 0.8815 3558739 ACon1_000153 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H16 compound treatment 1.034 0.0298 0.86 1.027 0.0231 0.68 1.0923 0.9932 3557708 ACon1_000154 C[C@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@@H](O)[C@@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H17 compound treatment 1.049 0.0448 1.3 1.045 0.0411 1.21 1.7758 0.9995 3557703 ACon1_000155 O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H18 compound treatment 1.0 -0.0042 -0.12 0.999 -0.00494 -0.15 -0.1893 -0.9959 3557644 ACon1_000156 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@@]9(CCC(C)(C)CC98)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H19 mock treatment 1.001 -0.0032 -0.09 1.004 6.25E-5 0.0 -0.0643 -0.6929 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H20 mock treatment 0.999 -0.0052 -0.15 1.005 0.00106 0.03 -0.0843 -0.5479 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H21 compound treatment 0.999 -0.0052 -0.15 1.004 6.25E-5 0.0 -0.1052 -0.6984 3559541 ACon1_000157 C[C@]12C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]2C(=C)[C@H](O)C[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H22 compound treatment 1.012 0.0078 0.23 1.026 0.0221 0.65 0.6209 0.8995 3557933 ACon1_000158 C/C=C(/C)\C(=O)OC1C(OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H23 compound treatment 1.091 0.0868 2.51 1.079 0.0751 2.22 3.3467 0.9981 3555130 ACon1_000159 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 H24 compound treatment 1.019 0.0148 0.43 1.02 0.0161 0.47 0.6388 0.9987 3557750 ACon1_000160 O[C@@H]1C=C(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I01 compound treatment 1.053 0.0488 1.41 1.037 0.0331 0.98 1.6905 0.9838 3559527 ACon1_000161 CC1=CC[C@@H]2[C@H]1[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](CC2=C)OC(=O)/C(=C/CO)/CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I02 compound treatment 1.026 0.0218 0.63 1.022 0.0181 0.53 0.824 0.9965 2120761 ACon1_000162 COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I03 compound treatment 0.997 -0.0072 -0.21 1.0 -0.00394 -0.12 -0.2298 -0.962 3559509 ACon1_000163 COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)CC3(CCC12)C=C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I04 compound treatment 0.979 -0.0252 -0.73 0.99 -0.0139 -0.41 -0.8075 -0.9634 3557562 ACon1_000164 C/C(=C\COc1ccc2ccc(=O)oc2c1)/CC3OC(=O)C(=C3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I05 mock treatment 1.0 -0.0042 -0.12 0.995 -0.00894 -0.26 -0.2729 -0.9381 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I06 mock treatment 0.995 -0.0092 -0.27 1.0 -0.00394 -0.12 -0.2708 -0.931 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I07 compound treatment 1.0 -0.0042 -0.12 0.998 -0.00594 -0.18 -0.2102 -0.984 3552640 ACon1_000165 C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H]1CCC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I08 compound treatment 1.038 0.0338 0.98 1.043 0.0391 1.15 1.5088 0.9966 3557649 ACon1_000166 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I09 compound treatment 0.998 -0.0062 -0.18 0.992 -0.0119 -0.35 -0.3766 -0.9509 1036721 ACon1_000167 Oc1c(oc2ccccc2c1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I10 compound treatment 0.998 -0.0062 -0.18 1.0 -0.00394 -0.12 -0.2093 -0.9779 3555603 ACon1_000168 O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I11 compound treatment 1.001 -0.0032 -0.09 0.998 -0.00594 -0.18 -0.1897 -0.9556 3553943 ACon1_000169 CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@@H](CC[C@]21C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I12 compound treatment 1.002 -0.0022 -0.06 1.004 6.25E-5 0.0 -0.0438 -0.6863 3554710 ACon1_000170 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I13 compound treatment 0.984 -0.0202 -0.59 0.986 -0.0179 -0.53 -0.7887 -0.9988 3559593 ACon1_000171 COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I14 compound treatment 1.001 -0.0032 -0.09 1.005 0.00106 0.03 -0.0434 -0.4429 3553879 ACon1_000172 CC1(C)O[C@H]2CC(=O)OC[C@]23C4CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@]65[C@]4(C)C(=O)C(=C13)O)c7ccoc7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I15 compound treatment 0.993 -0.0112 -0.32 0.998 -0.00594 -0.18 -0.3536 -0.9584 1032910 ACon1_000173 COc1ccc2OC(CC(=O)c2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I16 compound treatment 1.002 -0.0022 -0.06 1.003 -9.38E-4 -0.03 -0.0647 -0.9303 1362 ACon1_000174 COc1c2occc2cc3ccc(=O)oc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I17 compound treatment 1.008 0.0038 0.11 1.003 -9.38E-4 -0.03 0.0582 0.5128 1568908 ACon1_000175 COc1cccc2oc(cc(=O)c12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I18 compound treatment 0.442 -0.562 -16.28 0.488 -0.516 -15.25 -22.2994 -0.9995 1498810 ACon1_000176 CC(=CCOc1c2ccoc2cc3oc(=O)ccc13)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I19 compound treatment 1.009 0.0048 0.14 1.008 0.00406 0.12 0.1832 0.9974 1913676 ACon1_000177 COc1ccc(cc1)C(=O)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I20 compound treatment 1.011 0.0068 0.2 1.02 0.0161 0.47 0.475 0.924 3559840 ACon1_000178 COc1cc2oc(=O)ccc2c(OC)c1CC(O)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I21 mock treatment 0.999 -0.0052 -0.15 0.999 -0.00494 -0.15 -0.2098 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I22 mock treatment 0.997 -0.0072 -0.21 1.0 -0.00394 -0.12 -0.2298 -0.962 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I23 compound treatment 1.003 -0.0012 -0.03 1.002 -0.00194 -0.06 -0.0651 -0.9716 1539 ACon1_000179 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 I24 compound treatment 1.044 0.0398 1.15 1.043 0.0391 1.15 1.6316 1.0 3559836 ACon1_000180 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J01 compound treatment 0.998 -0.0062 -0.18 0.983 -0.0209 -0.62 -0.5648 -0.8762 3557805 ACon1_000181 CC1=CC(CC2(C)OC2COc3c4occc4cc5ccc(=O)oc35)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J02 compound treatment 1.005 7.97E-4 0.02 1.002 -0.00194 -0.06 -0.0242 -0.3916 3559624 ACon1_000182 COc1ccc(cc1)C2CC(=O)Oc3cc(O)cc(O)c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J03 compound treatment 0.991 -0.0132 -0.38 0.984 -0.0199 -0.59 -0.6872 -0.978 3559225 ACon1_000183 CC(=O)OCC(=C)[C@@H]1Cc2cc(ccc2O1)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J04 compound treatment 0.998 -0.0062 -0.18 0.985 -0.0189 -0.56 -0.5229 -0.8893 2060480 ACon1_000184 Oc1ccc(cc1)C2CC(=O)c3ccccc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J05 mock treatment 0.98 -0.0242 -0.7 0.982 -0.0219 -0.65 -0.9543 -0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J06 mock treatment 1.003 -0.0012 -0.03 0.999 -0.00494 -0.15 -0.1279 -0.8519 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J07 compound treatment 1.039 0.0348 1.01 1.037 0.0331 0.98 1.4038 0.9999 3559346 ACon1_000185 C[C@H]1[C@H]2[C@H](CC3C4C[C@H](OC5OC(C)C(O)C(O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C5O)C7C[C@@H](O)CC[C@]7(C)C4CC[C@]23C)OC81OCC(C)CC8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J08 compound treatment 1.014 0.0098 0.28 1.005 0.00106 0.03 0.2228 0.7806 3614341 ACon1_000186 COc1c2C(=O)OCc2c(C)c3OC4(C)CC5(O)OCC6(C)OC7(CCC(C)(C4Cc13)C65O7)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J09 compound treatment 0.989 -0.0152 -0.44 0.992 -0.0119 -0.35 -0.5609 -0.994 3554184 ACon1_000187 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J10 compound treatment 0.998 -0.0062 -0.18 0.991 -0.0129 -0.38 -0.3975 -0.9406 3557772 ACon1_000188 COc1cc(OC)c2ccc(=O)oc2c1CC(O)C(C)(C)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J11 compound treatment 0.976 -0.0282 -0.82 0.963 -0.0409 -1.21 -1.4334 -0.9817 3199169 ACon1_000189 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J12 compound treatment 1.009 0.0048 0.14 1.003 -9.38E-4 -0.03 0.0786 0.5551 3557412 ACon1_000190 Oc1ccc(/C=C\NC=O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J13 compound treatment 1.057 0.0528 1.53 1.051 0.0471 1.39 2.0651 0.9989 3552568 ACon1_000191 C[C@@H](C1CC[C@H]2C3C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)C3CC[C@]12C)C6CC(=C(CO)C(=O)O6)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J14 compound treatment 0.997 -0.0072 -0.21 0.997 -0.00694 -0.21 -0.2925 -1.0 3614342 ACon1_000192 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J15 compound treatment 0.99 -0.0142 -0.41 0.991 -0.0129 -0.38 -0.5613 -0.9993 3557791 ACon1_000193 CC(=CCc1c2OC(CC(=O)c2c(O)c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J16 compound treatment 0.988 -0.0162 -0.47 0.982 -0.0219 -0.65 -0.7904 -0.9874 3557677 ACon1_000194 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J17 compound treatment 1.049 0.0448 1.3 1.051 0.0471 1.39 1.9013 0.9994 3558159 ACon1_000195 COc1cc(ccc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J18 compound treatment 1.006 0.0018 0.05 0.993 -0.0109 -0.32 -0.1919 -0.5858 3557646 ACon1_000196 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@@]9(CCC(C)(C)CC98)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J19 compound treatment 1.038 0.0338 0.98 1.023 0.0191 0.56 1.0906 0.9656 3559382 ACon1_000197 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J20 compound treatment 0.999 -0.0052 -0.15 0.994 -0.00994 -0.29 -0.3143 -0.9519 3557547 ACon1_000198 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(=O)CC2(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J21 mock treatment 1.011 0.0068 0.2 1.003 -9.38E-4 -0.03 0.1196 0.6016 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J22 mock treatment 0.978 -0.0262 -0.76 0.986 -0.0179 -0.53 -0.9116 -0.9847 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J23 compound treatment 0.982 -0.0222 -0.64 0.985 -0.0189 -0.56 -0.8506 -0.9976 3559530 ACon1_000199 C[C@H]1C[C@@H]2O[C@@]31CCC(=C3[C@H]4OC(=O)C(=C)[C@@H]24)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 J24 compound treatment 1.003 -0.0012 -0.03 0.997 -0.00694 -0.21 -0.1697 -0.8155 3557731 ACon1_000200 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3occ(c4ccc(O)cc4)c(=O)c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K01 compound treatment 1.044 0.0398 1.15 1.041 0.0371 1.1 1.5898 0.9997 3558170 ACon1_000201 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO)\CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K02 compound treatment 1.012 0.0078 0.23 1.009 0.00506 0.15 0.2655 0.9801 1449 ACon1_000202 CN1[C@@H](CCC1=O)c2cccnc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K03 compound treatment 1.022 0.0178 0.52 1.026 0.0221 0.65 0.8257 0.9932 3553119 ACon1_000203 C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K04 compound treatment 1.032 0.0278 0.81 1.036 0.0321 0.95 1.2395 0.9967 3557742 ACon1_000204 CC(=CCc1cc(O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K05 compound treatment 1.012 0.0078 0.23 1.007 0.00306 0.09 0.2237 0.9195 3559441 ACon1_000205 COc1cc(ccc1O)c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K06 compound treatment 1.009 0.0048 0.14 1.018 0.0141 0.42 0.3922 0.8947 3557579 ACon1_000206 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K07 mock treatment 1.008 0.0038 0.11 1.008 0.00406 0.12 0.1627 0.999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K08 mock treatment 1.01 0.0058 0.17 1.015 0.0111 0.33 0.35 0.952 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K09 compound treatment 1.011 0.0068 0.2 1.009 0.00506 0.15 0.245 0.9909 1442461 ACon1_000207 COc1ccc2c(=O)cc(oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K10 compound treatment 1.033 0.0288 0.83 1.038 0.0341 1.01 1.3018 0.9956 3554705 ACon1_000208 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K11 compound treatment 0.997 -0.0072 -0.21 0.998 -0.00594 -0.18 -0.2716 -0.9963 3054523 ACon1_000209 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K12 compound treatment 1.014 0.0098 0.28 1.017 0.0131 0.39 0.4737 0.9885 3559363 ACon1_000210 C/C/1=C\CC\C(=C\CC\C(=C\C2OC(=O)C(=C)C2CC1)\C)\C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K13 compound treatment 1.014 0.0098 0.28 1.006 0.00206 0.06 0.2437 0.8399 1250866 ACon1_000211 COc1ccc(cc1)C2CC(=O)c3ccccc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K14 compound treatment 1.058 0.0538 1.56 1.015 0.0111 0.33 1.3329 0.8373 3557490 ACon1_000212 CC12CCCC(CO)(CO)C2C(=O)CC3(CC4CCC31)CC4=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K15 mock treatment 1.011 0.0068 0.2 1.008 0.00406 0.12 0.2241 0.9719 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K16 mock treatment 0.986 -0.0182 -0.53 0.987 -0.0169 -0.5 -0.7269 -0.9997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K17 compound treatment 1.025 0.0208 0.6 1.015 0.0111 0.33 0.6572 0.9588 3559604 ACon1_000213 Oc1ccc2C(=O)/C(=C/c3ccc(O)c(O)c3)/Oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K18 compound treatment 1.004 -2.03E-4 -0.01 1.012 0.00806 0.24 0.1644 0.6894 3557612 ACon1_000214 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3OC(=O)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K19 compound treatment 1.026 0.0218 0.63 1.227 0.223 6.6 5.1098 0.7713 3559756 ACon1_000215 CC(=CCC[C@](C)(O)C1CC[C@]2(C)C1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]32C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K20 compound treatment 1.042 0.0378 1.09 1.048 0.0441 1.3 1.6952 0.9963 3559323 ACon1_000216 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@]54C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K21 compound treatment 0.997 -0.0072 -0.21 1.001 -0.00294 -0.09 -0.2089 -0.9246 1026747 ACon1_000217 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K22 compound treatment 1.046 0.0418 1.21 1.028 0.0241 0.71 1.359 0.9679 3559843 ACon1_000218 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K23 mock treatment 1.015 0.0108 0.31 1.009 0.00506 0.15 0.3269 0.9431 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 K24 mock treatment 1.017 0.0128 0.37 1.008 0.00406 0.12 0.347 0.8907 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L01 compound treatment 1.048 0.0438 1.27 1.03 0.0261 0.77 1.4418 0.9715 3526 ACon1_000219 Oc1ccc2ccc(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L02 compound treatment 1.005 7.97E-4 0.02 0.995 -0.00894 -0.26 -0.1705 -0.6429 3559553 ACon1_000220 C/C=C(\C)/C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)C)[C@H]1C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L03 compound treatment 1.051 0.0468 1.36 1.054 0.0501 1.48 2.005 0.999 3558112 ACon1_000221 COc1cc(O)cc(O)c1C(=O)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L04 compound treatment 1.007 0.0028 0.08 1.006 0.00206 0.06 0.1004 0.9902 3559775 ACon1_000222 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]61CC[C@@H](C)CO6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L05 compound treatment 0.995 -0.0092 -0.27 1.002 -0.00194 -0.06 -0.229 -0.8399 2137 ACon1_000223 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L06 compound treatment 0.995 -0.0092 -0.27 0.988 -0.0159 -0.47 -0.5217 -0.9636 3559437 ACon1_000224 CC(=CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L07 mock treatment 1.018 0.0138 0.4 1.015 0.0111 0.33 0.5138 0.9951 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L08 mock treatment 1.006 0.0018 0.05 0.994 -0.00994 -0.29 -0.171 -0.573 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L09 compound treatment 0.995 -0.0092 -0.27 1.0 -0.00394 -0.12 -0.2708 -0.931 3559831 ACon1_000225 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L10 compound treatment 1.023 0.0188 0.54 1.014 0.0101 0.3 0.5953 0.9596 3558043 ACon1_000226 COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L11 compound treatment 1.005 7.97E-4 0.02 1.001 -0.00294 -0.09 -0.0451 -0.5018 3554965 ACon1_000227 COc1cc(O)c(C(=O)O)c(c1)c2cc(O)c(O)cc2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L12 compound treatment 1.033 0.0288 0.83 1.023 0.0191 0.56 0.9882 0.9818 3180152 ACon1_000228 CC(=C)[C@@H]1CC[C@]2(COC(=O)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L13 compound treatment 1.004 -2.03E-4 -0.01 1.009 0.00506 0.15 0.1017 0.6788 3551952 ACon1_000229 C/C(=C\1/CCC2(COC3C2)C1CCC3(O)C(=O)O)/CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L14 compound treatment 0.971 -0.0332 -0.96 0.968 -0.0359 -1.06 -1.4313 -0.9988 3557691 ACon1_000230 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(CCC3(C)O)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L15 mock treatment 0.997 -0.0072 -0.21 1.012 0.00806 0.24 0.0211 0.0665 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L16 mock treatment 1.007 0.0028 0.08 1.008 0.00406 0.12 0.1422 0.9816 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L17 compound treatment 1.043 0.0388 1.12 1.037 0.0331 0.98 1.4857 0.9976 1029504 ACon1_000231 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L18 compound treatment 1.006 0.0018 0.05 1.01 0.00606 0.18 0.1635 0.8762 3557784 ACon1_000232 O[C@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L19 compound treatment 1.006 0.0018 0.05 1.021 0.0171 0.5 0.3935 0.7759 3555882 ACon1_000233 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L20 compound treatment 1.01 0.0058 0.17 1.016 0.0121 0.36 0.3709 0.9409 3557549 ACon1_000234 C[C@](OC(=O)/C=C/c1ccc(O)c(O)c1)([C@@H](O)CO)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L21 compound treatment 1.033 0.0288 0.83 1.035 0.0311 0.92 1.2391 0.9988 3559569 ACon1_000235 COC(=O)/C=C(\C)/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L22 compound treatment 1.013 0.0088 0.25 1.009 0.00506 0.15 0.286 0.9679 3557634 ACon1_000236 C/C=C(/C)\C(=O)OC1C(OC(=O)/C(=C\C)/C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L23 mock treatment 1.013 0.0088 0.25 1.014 0.0101 0.3 0.3905 0.997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 L24 mock treatment 1.015 0.0108 0.31 1.024 0.0201 0.59 0.6405 0.9553 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M01 compound treatment 1.014 0.0098 0.28 1.006 0.00206 0.06 0.2437 0.8399 3559074 ACon1_000237 COc1cc(O)c2C(=O)C[C@@H](Oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M02 compound treatment 0.988 -0.0162 -0.47 0.987 -0.0169 -0.5 -0.6859 -0.9995 959 ACon1_000238 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M03 compound treatment 1.01 0.0058 0.17 1.009 0.00506 0.15 0.2245 0.9984 1002015 ACon1_000239 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M04 compound treatment 0.968 -0.0362 -1.05 0.975 -0.0289 -0.86 -1.3464 -0.9949 3557491 ACon1_000240 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(=O)CC45C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M05 compound treatment 1.002 -0.0022 -0.06 1.0 -0.00394 -0.12 -0.1274 -0.9599 3559514 ACon1_000241 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M06 compound treatment 0.984 -0.0202 -0.59 0.984 -0.0199 -0.59 -0.8305 -1.0 3558910 ACon1_000242 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)C5CC[C@]43C)[C@@H]2[C@@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M07 compound treatment 1.015 0.0108 0.31 1.022 0.0181 0.53 0.5987 0.9675 3559317 ACon1_000243 C[C@@H]1CC[C@@H](/C=C(\C)/C(=O)O)C2=C(C)C[C@@H](OC(=O)C)[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M08 compound treatment 1.008 0.0038 0.11 1.012 0.00806 0.24 0.2463 0.9383 3552818 ACon1_000244 C[C@]1(CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5cc(O)c(O)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M09 mock treatment 0.993 -0.0112 -0.32 0.991 -0.0129 -0.38 -0.4999 -0.9966 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M10 mock treatment 0.962 -0.0422 -1.22 0.978 -0.0259 -0.77 -1.4065 -0.9748 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M11 compound treatment 0.979 -0.0252 -0.73 0.971 -0.0329 -0.97 -1.2047 -0.9899 3553135 ACon1_000245 C[C@H]1CC[C@H](OC(=O)C)[C@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C)[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M12 compound treatment 1.023 0.0188 0.54 1.034 0.0301 0.89 1.0134 0.9723 3554653 ACon1_000246 COC(=O)C(=C)CCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M13 mock treatment 0.983 -0.0212 -0.61 0.974 -0.0299 -0.89 -1.0601 -0.984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M14 mock treatment 0.99 -0.0142 -0.41 0.989 -0.0149 -0.44 -0.6031 -0.9994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M15 compound treatment 0.989 -0.0152 -0.44 0.986 -0.0179 -0.53 -0.6863 -0.9957 3551999 ACon1_000247 C/C=C(/C)\C(=O)O[C@@H]1C[C@@H](OC(=O)/C(=C\C)/C)[C@](C)(CO)C2C3[C@H](C)CC(=O)C2[C@@]31C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M16 compound treatment 1.036 0.0318 0.92 1.034 0.0301 0.89 1.2796 0.9998 3552704 ACon1_000248 C[C@@H]1CC[C@H](O)/C=C/C(=O)O[C@H](C)CC[C@H](O)/C=C/C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M17 compound treatment 1.053 0.0488 1.41 1.033 0.0291 0.86 1.6069 0.9716 1502018 ACon1_000249 COc1ccc2oc(cc(=O)c2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M18 compound treatment 0.998 -0.0062 -0.18 1.002 -0.00194 -0.06 -0.1675 -0.8885 3557806 ACon1_000250 COC(=O)C1=CO[C@@H](OC2OC(O)C(O)C(O)C2CO)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)OC(=O)/C=C/c5ccc(OC6OC(CO)C(O)C(O)C6O)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M19 compound treatment 0.991 -0.0132 -0.38 0.98 -0.0239 -0.71 -0.7708 -0.9582 1012 ACon1_000251 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M20 compound treatment 0.982 -0.0222 -0.64 0.989 -0.0149 -0.44 -0.767 -0.9832 3559846 ACon1_000252 OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M21 compound treatment 0.905 -0.0992 -2.87 0.906 -0.0979 -2.9 -4.079 -1.0 3559747 ACon1_000253 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M22 compound treatment 1.023 0.0188 0.54 1.028 0.0241 0.71 0.888 0.9913 3554833 ACon1_000254 COc1cc(C)c(C(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OC(=O)C)n3ccc(=O)[nH]c3=O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M23 compound treatment 1.0 -0.0042 -0.12 1.008 0.00406 0.12 -0.0011 -0.0067 3559655 ACon1_000255 COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 M24 compound treatment 1.0 -0.0042 -0.12 1.013 0.00906 0.27 0.1034 0.3513 3559343 ACon1_000256 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]2O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N01 compound treatment 1.001 -0.0032 -0.09 1.004 6.25E-5 0.0 -0.0643 -0.6929 3558015 ACon1_000257 COc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N02 compound treatment 0.927 -0.0772 -2.24 0.925 -0.0789 -2.33 -3.2313 -0.9998 3559555 ACon1_000258 COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(=C/C(=O)O)/C)C(=C)CC[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N03 compound treatment 1.011 0.0068 0.2 1.004 6.25E-5 0.0 0.1405 0.7137 3557706 ACon1_000259 O=C(CCCCCC/C=C/c1ccc2OCOc2c1)N3CCCCC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N04 compound treatment 1.01 0.0058 0.17 1.01 0.00606 0.18 0.2455 0.9995 1538 ACon1_000260 Oc1ccc(c(O)c1)c2oc3cc(O)cc(O)c3c(=O)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N05 compound treatment 1.019 0.0148 0.43 1.021 0.0171 0.5 0.6597 0.9967 3557638 ACon1_000261 COC(=O)c1ccccc1O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N06 compound treatment 0.839 -0.165 -4.78 0.85 -0.154 -4.55 -6.6014 -0.9997 3614343 ACon1_000262 CC(C)C(NC(=O)C)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OCC3(O)[C@@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N07 compound treatment 0.998 -0.0062 -0.18 1.0 -0.00394 -0.12 -0.2093 -0.9779 3553729 ACon1_000263 CC(CO)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N08 compound treatment 1.005 7.97E-4 0.02 1.007 0.00306 0.09 0.0803 0.8598 3614345 ACon1_000264 CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC3C(=CCC4C(C)(CCCC34C)C(=O)O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N09 mock treatment 0.992 -0.0122 -0.35 0.991 -0.0129 -0.38 -0.5204 -0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N10 mock treatment 0.972 -0.0322 -0.93 0.972 -0.0319 -0.94 -1.3272 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N11 compound treatment 0.981 -0.0232 -0.67 0.982 -0.0219 -0.65 -0.9338 -0.9998 3559351 ACon1_000265 CCCCC(CCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N12 compound treatment 0.98 -0.0242 -0.7 0.984 -0.0199 -0.59 -0.9125 -0.9963 3559523 ACon1_000266 CC(=CC(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)C3CCC2=C)C1=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N13 mock treatment 0.997 -0.0072 -0.21 0.995 -0.00894 -0.26 -0.3344 -0.9931 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N14 mock treatment 0.982 -0.0222 -0.64 0.984 -0.0199 -0.59 -0.8715 -0.9991 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N15 compound treatment 0.977 -0.0272 -0.79 0.985 -0.0189 -0.56 -0.953 -0.986 2181 ACon1_000267 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N16 compound treatment 0.986 -0.0182 -0.53 0.985 -0.0189 -0.56 -0.7687 -0.9995 3557681 ACon1_000268 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N17 compound treatment 1.0 -0.0042 -0.12 1.007 0.00306 0.09 -0.022 -0.1453 3557477 ACon1_000269 Oc1ccc2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N18 compound treatment 0.988 -0.0162 -0.47 0.991 -0.0129 -0.38 -0.6023 -0.9949 270 ACon1_000270 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N19 compound treatment 0.985 -0.0192 -0.56 0.999 -0.00494 -0.15 -0.4965 -0.8635 3558281 ACon1_000271 CC(C)C(O)CC(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N20 compound treatment 1.009 0.0048 0.14 1.008 0.00406 0.12 0.1832 0.9974 3553516 ACon1_000272 CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)[C@@H](C)C[C@H]3OC(=O)C(=C)[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N21 compound treatment 1.012 0.0078 0.23 1.025 0.0211 0.62 0.6 0.9058 3559609 ACon1_000273 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O[C@H]6CC[C@@]7(C)C(CC[C@]8(C)C7CC[C@@]9%10OC[C@@]%11(CCC(C)(C)CC%11%10)[C@H](O)C[C@]98C)C6(C)C)O[C@@H]3C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N22 compound treatment 1.093 0.0888 2.57 1.094 0.0901 2.66 3.7013 0.9998 3552601 ACon1_000274 C[C@@H](CC[C@H]1C(=CC(=O)C2C(C)(C)CCC[C@]12C)C)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N23 compound treatment 0.998 -0.0062 -0.18 0.998 -0.00594 -0.18 -0.2512 -0.9999 1307633 ACon1_000275 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 N24 compound treatment 0.994 -0.0102 -0.3 0.998 -0.00594 -0.18 -0.3331 -0.9691 3557790 ACon1_000276 CC1CCC(=O)C2(O)CC(=O)C3C(C3(C)C)C12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O01 compound treatment 1.053 0.0488 1.41 1.042 0.0381 1.13 1.795 0.9936 3559471 ACon1_000277 C[C@@]12CCCC(=C)[C@@H]2C[C@@](O)(CC1)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O02 compound treatment 1.026 0.0218 0.63 1.027 0.0231 0.68 0.9285 0.9993 3185117 ACon1_000278 CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C5=CC(=O)OC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O03 compound treatment 1.027 0.0228 0.66 1.02 0.0161 0.47 0.8027 0.9869 2069231 ACon1_000279 CC(=CCc1cc(ccc1O)C(=O)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O04 compound treatment 1.014 0.0098 0.28 1.02 0.0161 0.47 0.5364 0.9697 2091975 ACon1_000280 C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O05 compound treatment 1.007 0.0028 0.08 1.004 6.25E-5 0.0 0.0586 0.7231 3559534 ACon1_000281 CC1C[C@@H]2OC(=O)C(=C)C2C[C@]34O[C@]4(C)CCC13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O06 compound treatment 1.009 0.0048 0.14 1.013 0.00906 0.27 0.2877 0.9532 3614346 ACon1_000282 O[C@@H]1C[C@](C[C@@H](O)[C@H]1O)(OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O07 compound treatment 1.042 0.0378 1.09 1.038 0.0341 1.01 1.4861 0.9991 3558551 ACon1_000283 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)OC8OC(CO)C(O)C(O)C8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O08 compound treatment 1.029 0.0248 0.72 1.028 0.0241 0.71 1.0109 1.0 1000088 ACon1_000284 OC1C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O09 compound treatment 1.024 0.0198 0.57 1.023 0.0191 0.56 0.8039 1.0 3559591 ACon1_000285 C[C@@]1(O)C[C@@]2(CC1CC[C@H]23)CCC4C(C)(C)[C@H](CC[C@@]34C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O10 compound treatment 1.016 0.0118 0.34 1.015 0.0111 0.33 0.4729 0.9998 3554190 ACon1_000286 CCC/C=C/C=C/C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O11 mock treatment 1.012 0.0078 0.23 1.018 0.0141 0.42 0.4537 0.9588 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O12 mock treatment 1.014 0.0098 0.28 1.018 0.0141 0.42 0.4946 0.9826 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O13 compound treatment 1.048 0.0438 1.27 1.045 0.0411 1.21 1.7554 0.9998 3069775 ACon1_000287 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O14 compound treatment 1.012 0.0078 0.23 1.009 0.00506 0.15 0.2655 0.9801 3557505 ACon1_000288 CC(C)C(O)C(=O)O[C@H]/1C\C=C(/C)\C[C@@H](OC(=O)/C(=C/CO)/CO)[C@@H]2[C@H](OC(=O)C2=C)/C=C1/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O15 compound treatment 1.006 0.0018 0.05 1.008 0.00406 0.12 0.1217 0.9299 3559563 ACon1_000289 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O16 compound treatment 1.029 0.0248 0.72 1.029 0.0251 0.74 1.0318 0.9999 3559243 ACon1_000290 COc1cc(cc(OC)c1O)C2C(CO)C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)Cc4cc(OC)c(O)c(OC)c24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O17 compound treatment 1.029 0.0248 0.72 1.032 0.0281 0.83 1.0945 0.9974 3559643 ACon1_000291 OC(CCc1ccccc1)CC(=O)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O18 compound treatment 1.056 0.0518 1.5 1.058 0.0541 1.6 2.191 0.9995 3559322 ACon1_000292 CC(=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3CC[C@]4(C)C3[C@H](O)CC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C6CC[C@]54C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O19 compound treatment 1.013 0.0088 0.25 1.007 0.00306 0.09 0.2442 0.9031 1071301 ACon1_000293 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O20 compound treatment 1.017 0.0128 0.37 1.019 0.0151 0.45 0.577 0.9958 3557261 ACon1_000294 OC(=O)CCC(=O)Cc1ccccc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O21 compound treatment 1.023 0.0188 0.54 1.024 0.0201 0.59 0.8044 0.9991 1010377 ACon1_000295 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O22 compound treatment 1.022 0.0178 0.52 1.028 0.0241 0.71 0.8675 0.9875 3557778 ACon1_000296 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CO)CCC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O23 compound treatment 1.032 0.0278 0.81 1.026 0.0221 0.65 1.0305 0.9946 2080073 ACon1_000297 C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 O24 compound treatment 1.013 0.0088 0.25 1.011 0.00706 0.21 0.3278 0.9951 3559339 ACon1_000298 COc1c(O)c2c(=O)c(coc2cc1O[C@@H]3O[C@H](CO[C@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c5ccc(O)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P01 compound treatment 1.002 -0.0022 -0.06 1.008 0.00406 0.12 0.0398 0.2928 3554303 ACon1_000299 CCCCCCCCCC[C@H](C(=O)O)[C@@]1(CCC(=O)O1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P02 compound treatment 1.095 0.0908 2.63 1.091 0.0871 2.57 3.6795 0.9999 3553173 ACon1_000300 CC(=C)[C@@H]1CC[C@](C)(O)[C@H](C1)OC(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P03 compound treatment 1.007 0.0028 0.08 1.006 0.00206 0.06 0.1004 0.9902 3557492 ACon1_000301 CC12CC3(CC2C1CC34)CCC5C(CO)(CO)CC(O)CC45C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P04 compound treatment 1.034 0.0298 0.86 1.03 0.0261 0.77 1.1551 0.9984 3554488 ACon1_000302 CN1CC(C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P05 compound treatment 1.122 0.118 3.41 1.085 0.0811 2.4 4.107 0.9851 3558904 ACon1_000303 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P06 compound treatment 1.017 0.0128 0.37 1.016 0.0121 0.36 0.5142 0.9998 3614348 ACon1_000304 COc1cc(O)c2C(=O)OC(O)(CO)C(C)c2c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P07 compound treatment 1.01 0.0058 0.17 1.002 -0.00194 -0.06 0.0782 0.4409 3557880 ACon1_000305 COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P08 compound treatment 1.03 0.0258 0.75 1.02 0.0161 0.47 0.8641 0.9761 3614349 ACon1_000306 CC(=CCC/C(=C/CC/C(=C/Cc1c(O)cc2C(=O)N(Cc2c1O)C(CCC(=O)O)C(=O)O)/C)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P09 compound treatment 1.013 0.0088 0.25 0.999 -0.00494 -0.15 0.0769 0.262 3559304 ACon1_000307 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC(=O)C)[C@H]4O)c(oc3c2)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P10 compound treatment 1.02 0.0158 0.46 1.007 0.00306 0.09 0.3875 0.8309 3559823 ACon1_000308 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P11 mock treatment 0.99 -0.0142 -0.41 0.994 -0.00994 -0.29 -0.4986 -0.9864 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P12 mock treatment 1.019 0.0148 0.43 1.009 0.00506 0.15 0.4089 0.9007 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P13 compound treatment 1.005 7.97E-4 0.02 1.006 0.00206 0.06 0.0594 0.9116 3559341 ACon1_000309 O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(/C=C/c4cc(O)cc(O)c4)cc3)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P14 compound treatment 1.017 0.0128 0.37 1.009 0.00506 0.15 0.3679 0.9205 3557710 ACon1_000310 CO[C@@H]1[C@H](O)[C@@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P15 compound treatment 0.995 -0.0092 -0.27 1.002 -0.00194 -0.06 -0.229 -0.8399 3559388 ACon1_000311 COc1cc2occ(c3ccc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3)c(=O)c2c(O)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P16 compound treatment 1.003 -0.0012 -0.03 0.999 -0.00494 -0.15 -0.1279 -0.8519 3557667 ACon1_000312 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@@H](C[C@@H](O)[C@]5(C)C4CC[C@]23C)O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)O[C@@]81CCC(=C)CO8 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P17 compound treatment 1.018 0.0138 0.4 1.017 0.0131 0.39 0.5556 0.9999 3614351 ACon1_000313 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P18 compound treatment 1.029 0.0248 0.72 1.028 0.0241 0.71 1.0109 1.0 3552822 ACon1_000314 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]3(C[C@@H]4CC=C32)CC4=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P19 compound treatment 0.999 -0.0052 -0.15 1.016 0.0121 0.36 0.1456 0.3761 3557267 ACon1_000315 NC(=O)Cc1ccc(O)c(Cl)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P20 compound treatment 1.009 0.0048 0.14 1.015 0.0111 0.33 0.3295 0.9273 3557599 ACon1_000316 C[C@H]1CCC(CC=C1CCC(=O)C)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P21 compound treatment 1.009 0.0048 0.14 1.026 0.0221 0.65 0.5595 0.8389 3614352 ACon1_000317 COc1ccc(cc1)C(=O)O[C@H]2CC(=CCC3(C)CC[C@@](O)(C(C)C)[C@H]23)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P22 compound treatment 1.03 0.0258 0.75 1.043 0.0391 1.15 1.3449 0.9778 3557663 ACon1_000318 C[C@@H](CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P23 compound treatment 1.028 0.0238 0.69 1.032 0.0281 0.83 1.074 0.9957 1113986 ACon1_000319 O=c1cccc2C3CNCC(C3)Cn21 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2290 P24 compound treatment 1.012 0.0078 0.23 1.01 0.00606 0.18 0.2864 0.9935 3557792 ACon1_000320 C/C=C(\C)/C(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]3[C@H]4OC(=O)C(=C)[C@@H]4C[C@@H](O)[C@@]13C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A01 compound treatment 0.992 -0.0105 -0.3 1.014 0.0127 0.38 0.0525 0.1086 3557665 ACon1_000321 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A02 compound treatment 0.987 -0.0155 -0.45 0.984 -0.0173 -0.51 -0.6771 -0.9979 3558065 ACon1_000322 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A03 compound treatment 1.009 0.00655 0.19 0.999 -0.00225 -0.07 0.087 0.4331 3557987 ACon1_000323 COc1ccc(cc1)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A04 compound treatment 1.024 0.0215 0.62 1.007 0.00575 0.17 0.5615 0.8681 3558147 ACon1_000324 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A05 compound treatment 1.028 0.0255 0.74 1.004 0.00275 0.08 0.5807 0.7801 3558051 ACon1_000325 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A06 compound treatment 0.998 -0.00445 -0.13 0.987 -0.0143 -0.42 -0.3891 -0.8831 3558231 ACon1_000326 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3cc(O)c(OC)c(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A07 compound treatment 1.053 0.0505 1.46 1.014 0.0127 0.38 1.3017 0.8611 3558131 ACon1_000327 OCC1OC(Oc2cc(O)cc(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A08 compound treatment 0.978 -0.0245 -0.71 0.997 -0.00425 -0.13 -0.5896 -0.8198 3553198 ACon1_000328 CC(=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A09 compound treatment 1.01 0.00755 0.22 1.001 -2.5E-4 -0.01 0.1493 0.6828 3558232 ACon1_000329 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@H](CC[C@@H]31)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A10 compound treatment 0.998 -0.00445 -0.13 0.998 -0.00325 -0.1 -0.1591 -0.9895 3553751 ACon1_000330 CC(O)C(O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)C13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A11 compound treatment 0.996 -0.00645 -0.19 1.001 -2.5E-4 -0.01 -0.1374 -0.7345 3614354 ACon1_000331 CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A12 compound treatment 0.98 -0.0225 -0.65 0.993 -0.00825 -0.24 -0.6323 -0.9104 3614356 ACon1_000332 COc1c(O)cc2C(O)C(C)OC(=O)c3c(O)c(OC)c(O)c(O)c3C(O)C(C)OC(=O)c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A13 mock treatment 0.994 -0.00845 -0.24 0.976 -0.0253 -0.75 -0.701 -0.8922 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A14 mock treatment 0.98 -0.0225 -0.65 0.98 -0.0213 -0.63 -0.9041 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A15 compound treatment 0.986 -0.0165 -0.48 0.986 -0.0153 -0.45 -0.6558 -0.9996 3553760 ACon1_000333 CC(O)CCCCC(C(=O)O)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A16 compound treatment 1.006 0.00355 0.1 1.011 0.00975 0.29 0.2765 0.9034 3559671 ACon1_000334 CC(CCOC(=O)C)CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A17 compound treatment 1.009 0.00655 0.19 0.998 -0.00325 -0.1 0.0661 0.3111 3559515 ACon1_000335 COC(=O)/C=C(\C)/CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A18 compound treatment 0.999 -0.00345 -0.1 0.99 -0.0113 -0.33 -0.3059 -0.8808 2082296 ACon1_000336 O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A19 compound treatment 1.057 0.0545 1.58 1.044 0.0428 1.26 2.0108 0.9939 3553961 ACon1_000337 CC1CC(=O)C2=C(C1)C(Cl)C(O)C3(O)C(O)c4c(O)cccc4C(=O)C23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A20 compound treatment 1.078 0.0755 2.19 1.077 0.0757 2.24 3.1307 0.9999 3557551 ACon1_000338 COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c3C(=O)CC(Oc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A21 compound treatment 0.994 -0.00845 -0.24 0.992 -0.00925 -0.27 -0.3665 -0.9985 3557759 ACon1_000339 C[C@@H]1CC[C@]2(C)CC[C@]3(CO)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A22 compound treatment 0.993 -0.00945 -0.27 0.983 -0.0182 -0.54 -0.5751 -0.9505 3557801 ACon1_000340 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](OC/C(=C/CC/C(=C/CC/C(=C/CCC(C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C)/C)/C)/C)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A23 compound treatment 1.002 -4.53E-4 -0.01 1.003 0.00175 0.05 0.0273 0.5116 3557890 ACon1_000341 COc1cc(cc(OC)c1OC)C(=O)OC2OC(CO)C(O)C(O)C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 A24 compound treatment 1.004 0.00155 0.04 0.995 -0.00625 -0.18 -0.099 -0.5206 3558223 ACon1_000342 COc1cc(O)cc(OC)c1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B01 compound treatment 0.984 -0.0185 -0.53 0.993 -0.00825 -0.24 -0.5504 -0.9369 3559333 ACon1_000343 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC3C(C)C(CC3C(CO)CO)OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B02 compound treatment 0.995 -0.00745 -0.22 1.005 0.00375 0.11 -0.0742 -0.3059 3559681 ACon1_000344 CC(=O)OC[C@]12CCC[C@]3(C)[C@@H]2[C@@H](OC1=O)[C@H](OC(=O)C)[C@]4(C[C@H]5CC[C@H]43)CC5=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B03 compound treatment 1.011 0.00855 0.25 1.005 0.00375 0.11 0.2534 0.9344 3557417 ACon1_000345 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B04 compound treatment 0.988 -0.0145 -0.42 0.986 -0.0153 -0.45 -0.6148 -0.9993 3559419 ACon1_000346 COC(=O)/C=C/c1ccc(OC)c(/C=C/C(C)(C)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B05 compound treatment 1.027 0.0245 0.71 1.008 0.00675 0.2 0.6438 0.8719 3559255 ACon1_000347 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B06 compound treatment 0.991 -0.0115 -0.33 0.966 -0.0352 -1.04 -0.9715 -0.8882 3555950 ACon1_000348 Oc1cccc(C(=O)NCC[C@@H](CNC(=O)c2cccc(O)c2O)NC(=O)c3cccc(O)c3O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B07 compound treatment 0.988 -0.0145 -0.42 0.993 -0.00825 -0.24 -0.4685 -0.967 3555286 ACon1_000349 COc1ccc2[C@H](C)[C@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B08 compound treatment 1.012 0.00955 0.28 1.007 0.00575 0.17 0.3157 0.9727 715 ACon1_000350 COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B09 compound treatment 1.036 0.0335 0.97 1.008 0.00675 0.2 0.8281 0.8349 3559310 ACon1_000351 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(oc2c1)c5ccc(O)c(O)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B10 compound treatment 1.005 0.00255 0.07 1.021 0.0197 0.58 0.4651 0.7901 3555614 ACon1_000352 O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](Oc3cccc4cc5COC(=O)c5c(O)c34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B11 compound treatment 0.987 -0.0155 -0.45 0.982 -0.0193 -0.57 -0.7189 -0.9929 1352 ACon1_000353 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B12 compound treatment 1.004 0.00155 0.04 0.975 -0.0262 -0.78 -0.5171 -0.6652 3552679 ACon1_000354 C[C@@H]1CC(=O)[C@]2(COC(=O)C)[C@H](CC[C@H](OC(=O)C)[C@@]32CO3)[C@]41C[C@H](OC4=O)c5ccoc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B13 mock treatment 0.972 -0.0305 -0.88 0.987 -0.0143 -0.42 -0.9215 -0.9428 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B14 mock treatment 0.985 -0.0175 -0.51 0.978 -0.0233 -0.69 -0.8435 -0.9886 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B15 compound treatment 0.976 -0.0265 -0.77 0.979 -0.0222 -0.66 -1.0069 -0.9971 3559749 ACon1_000355 CC(C)CC(=O)O[C@@H]1C/C(=C\CC\C(=C\[C@H]2OC(=O)C(=C)C21)\C)/C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B16 compound treatment 0.985 -0.0175 -0.51 0.983 -0.0182 -0.54 -0.739 -0.9995 3554812 ACon1_000356 COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B17 compound treatment 1.048 0.0455 1.32 1.057 0.0558 1.65 2.0983 0.9939 3559769 ACon1_000357 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B18 compound treatment 1.026 0.0235 0.68 0.997 -0.00425 -0.13 0.3933 0.5673 3557998 ACon1_000358 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)/C=C/c6ccccc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B19 compound treatment 1.01 0.00755 0.22 1.007 0.00575 0.17 0.2748 0.9923 3559817 ACon1_000359 COc1c(CC=C(C)C)cc(cc1CC=C(C)C)C2CC(=O)c3c(O)cc(O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B20 compound treatment 1.004 0.00155 0.04 1.005 0.00375 0.11 0.1101 0.9205 3554713 ACon1_000360 COC(=O)c1cc(OC)cc(OC)c1C(=O)c2coc(/C=C/C)c(OC)c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B21 compound treatment 1.005 0.00255 0.07 1.015 0.0137 0.41 0.3396 0.822 3553590 ACon1_000361 CC(C)C1CCC2(C)CCC(O)C(C)(O)C2C1OC(=O)/C=C/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B22 compound treatment 1.001 -0.00145 -0.04 1.002 7.5E-4 0.02 -0.0141 -0.2959 3558127 ACon1_000362 OCC1OC(OC2OC=CC3(O)C(OC(=O)c4ccc(O)cc4)C=C(CO)C23)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B23 compound treatment 1.026 0.0235 0.68 1.036 0.0348 1.03 1.2087 0.9802 3553394 ACon1_000363 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 B24 compound treatment 1.012 0.00955 0.28 1.015 0.0137 0.41 0.483 0.9824 3553902 ACon1_000364 CC1=C(C)C(=O)O[C@@H](C1)[C@](C)(O)C2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)C4CC[C@]23C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C01 compound treatment 0.993 -0.00945 -0.27 1.012 0.0107 0.32 0.0312 0.0743 3557813 ACon1_000365 OC1COC(Oc2cc(O)c3C[C@H](O)[C@H](Oc3c2)c4ccc(O)c(O)c4)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C02 compound treatment 1.011 0.00855 0.25 1.023 0.0217 0.64 0.6297 0.9139 3558044 ACon1_000366 OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C03 compound treatment 1.017 0.0145 0.42 1.011 0.00975 0.29 0.5017 0.9829 3557757 ACon1_000367 COc1cc(O)cc2occ(c3ccc(O)cc3)c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C04 compound treatment 1.021 0.0185 0.54 1.035 0.0337 1.0 1.0854 0.9578 3552816 ACon1_000368 C[C@]1(C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]1C(=C)CO)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C05 compound treatment 1.019 0.0165 0.48 1.007 0.00575 0.17 0.4591 0.9028 3558075 ACon1_000369 OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C06 compound treatment 1.005 0.00255 0.07 1.006 0.00475 0.14 0.1515 0.9548 3554832 ACon1_000370 COc1cc(c(OC)cc1O)c2coc3cc(O)cc(O)c3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C07 compound treatment 1.091 0.0885 2.56 1.067 0.0658 1.94 3.1879 0.9907 3558135 ACon1_000371 COc1cc2OC(CC(=O)c2c(OC)c1C)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C08 compound treatment 1.027 0.0245 0.71 1.034 0.0328 0.97 1.1874 0.9885 3559269 ACon1_000372 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C09 compound treatment 1.034 0.0315 0.91 1.018 0.0168 0.5 0.9962 0.9586 703 ACon1_000373 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C10 compound treatment 1.014 0.0115 0.33 0.995 -0.00625 -0.18 0.1058 0.2769 3553121 ACon1_000374 C[C@H]1CC(=O)C2=C(C1)C(O)C(O)[C@]3(O)[C@@H](O)c4c(O)cccc4C(=O)[C@@H]23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C11 mock treatment 1.003 5.47E-4 0.02 1.021 0.0197 0.58 0.4241 0.726 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C12 mock treatment 1.017 0.0145 0.42 1.025 0.0237 0.7 0.7944 0.9701 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C13 compound treatment 1.018 0.0155 0.45 1.02 0.0187 0.55 0.7104 0.9947 3558186 ACon1_000375 CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](C1)OC(=O)Cc4ccc(O)cc4)C(=CC2=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C14 compound treatment 0.994 -0.00845 -0.24 1.006 0.00475 0.14 -0.0738 -0.2615 3557399 ACon1_000376 OC1C=CC(O)C23OC13C(O)C=CC42Oc5cccc6cccc(O4)c56 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C15 mock treatment 1.016 0.0135 0.39 1.008 0.00675 0.2 0.4185 0.9509 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C16 mock treatment 0.996 -0.00645 -0.19 0.989 -0.0123 -0.36 -0.3883 -0.9526 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C17 compound treatment 1.026 0.0235 0.68 0.994 -0.00725 -0.21 0.3306 0.4625 3553202 ACon1_000377 CC(=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C(O)CC(OC(=O)C)/C(=C/COCC(O)C(O)C(O)C(O)CO)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C18 compound treatment 1.027 0.0245 0.71 1.004 0.00275 0.08 0.5602 0.7829 3557463 ACon1_000378 COc1cc(oc(=O)c1)C2C3(O)CC4OC(=O)C3(O)C(C(=O)c5ccccc5)C2(O)C4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C19 compound treatment 1.038 0.0355 1.03 1.027 0.0257 0.76 1.2663 0.989 3558937 ACon1_000379 O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H]1OC(=O)c5cc(O)c(O)c(O)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C20 compound treatment 1.063 0.0605 1.75 1.051 0.0498 1.47 2.28 0.9962 3552950 ACon1_000380 C[C@H]1[C@@H]2[C@H](OC(=O)C)C(=O)[C@@]3(C)[C@@H](CC[C@H]4/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C[C@@]43C)OC(=O)C)[C@@]2(C)C=CC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C21 compound treatment 0.999 -0.00345 -0.1 1.011 0.00975 0.29 0.1331 0.4363 3557766 ACon1_000381 CC1=C2C/C=C(\C)/C(C/C=C(\C)/CC2OC1=O)OC3OC(CO)C(O)C(O)C3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C22 compound treatment 1.117 0.115 3.32 1.11 0.109 3.22 4.6193 0.9999 3559361 ACon1_000382 C[C@@H]([C@H]1CCC2C3CC=C4C[C@H](C[C@H](O)[C@]4(C)C3CC[C@]12C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C6CC(=C(CO)C(=O)O6)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C23 compound treatment 1.018 0.0155 0.45 1.015 0.0137 0.41 0.6058 0.9987 3553616 ACon1_000383 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3C[C@H](O)[C@](O)(COC(=O)C)[C@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 C24 compound treatment 1.04 0.0375 1.09 1.017 0.0157 0.47 1.0982 0.9284 3558764 ACon1_000384 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D01 compound treatment 1.066 0.0635 1.84 1.056 0.0548 1.62 2.446 0.998 3559335 ACon1_000385 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC(CO)C3CC(OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC)C(C)C3COC(=O)CC6\C(=C\C)\C(OC7OC(CO)C(O)C(O)C7O)OC=C6C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D02 compound treatment 1.047 0.0445 1.29 1.047 0.0457 1.35 1.8687 0.9997 3552117 ACon1_000386 C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@@]42CO4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D03 compound treatment 1.018 0.0155 0.45 1.013 0.0117 0.35 0.564 0.9918 3554011 ACon1_000387 CC1CCC(=C(CC/C(=C\COC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)/C)C1(C)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D04 compound treatment 1.011 0.00855 0.25 1.002 7.5E-4 0.02 0.1907 0.7674 3559732 ACon1_000388 CC1=C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]3[C@H]1CC[C@@]3(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D05 compound treatment 1.011 0.00855 0.25 1.01 0.00875 0.26 0.358 0.9998 3558877 ACon1_000389 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO)\CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D06 compound treatment 1.006 0.00355 0.1 1.013 0.0117 0.35 0.3183 0.8786 1607 ACon1_000390 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D07 compound treatment 1.029 0.0265 0.77 1.026 0.0248 0.73 1.0611 0.9997 3557737 ACon1_000391 CCCCCC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D08 compound treatment 1.049 0.0465 1.35 1.038 0.0368 1.09 1.7215 0.9943 3614357 ACon1_000392 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D09 compound treatment 0.989 -0.0135 -0.39 0.996 -0.00525 -0.16 -0.3853 -0.9186 3559940 ACon1_000393 COc1cc(ccc1O)C2C(CO)C(CO)Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D10 compound treatment 1.009 0.00655 0.19 1.013 0.0117 0.35 0.3797 0.9594 3557859 ACon1_000394 CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D11 mock treatment 1.008 0.00555 0.16 1.001 -2.5E-4 -0.01 0.1084 0.6739 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D12 mock treatment 1.012 0.00955 0.28 0.994 -0.00725 -0.21 0.0439 0.1256 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D13 compound treatment 1.008 0.00555 0.16 1.011 0.00975 0.29 0.3174 0.9619 3557863 ACon1_000395 CCC(C)C(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D14 compound treatment 1.016 0.0135 0.39 1.021 0.0197 0.58 0.6903 0.9813 3558515 ACon1_000396 C[C@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D15 mock treatment 0.996 -0.00645 -0.19 0.998 -0.00325 -0.1 -0.2001 -0.9522 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D16 mock treatment 1.017 0.0145 0.42 1.006 0.00475 0.14 0.3972 0.8944 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D17 compound treatment 1.023 0.0205 0.6 1.02 0.0187 0.55 0.8128 0.9994 3559665 ACon1_000397 CCC(C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D18 compound treatment 1.033 0.0305 0.88 1.023 0.0217 0.64 1.0803 0.9877 3559379 ACon1_000398 O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D19 compound treatment 1.032 0.0295 0.86 1.026 0.0248 0.73 1.1225 0.997 3559700 ACon1_000399 CO[C@@H]1C[C@@]2(CC=C)[C@H](C)[C@H](OC2=C(OC)C1=O)c3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D20 compound treatment 1.028 0.0255 0.74 1.031 0.0297 0.88 1.1451 0.9963 3552828 ACon1_000400 C[C@]12CC[C@H](C[C@H]2[C@H](CCC3(O)[C@@H]4C[C@@H](CC[C@@]4(C)C=CC3=O)C(=C)C(=O)O)C(=O)C=C1)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D21 compound treatment 1.039 0.0365 1.06 1.033 0.0317 0.94 1.4122 0.9982 3559727 ACon1_000401 COC(=O)CC(C)CC[C@H]1C(=CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D22 compound treatment 1.111 0.109 3.14 1.09 0.0888 2.62 4.0783 0.996 3558274 ACon1_000402 C[C@@H]1C[C@@H](OC(=O)C)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC3=CC(=O)OC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D23 compound treatment 1.024 0.0215 0.62 1.038 0.0368 1.09 1.2096 0.9653 3553349 ACon1_000403 CC(=O)O[C@H]1CC(=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@@]2(C)C1)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 D24 compound treatment 1.031 0.0285 0.83 1.018 0.0168 0.5 0.9348 0.97 3554883 ACon1_000404 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E01 mock treatment 1.025 0.0225 0.65 1.021 0.0197 0.58 0.8746 0.9984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E02 mock treatment 1.019 0.0165 0.48 1.022 0.0208 0.61 0.7727 0.9925 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E03 compound treatment 1.024 0.0215 0.62 1.025 0.0237 0.7 0.9378 0.9983 3557985 ACon1_000405 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OCC3OC(Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)c(O)c6)C(O)C(O)C3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E04 compound treatment 1.011 0.00855 0.25 1.01 0.00875 0.26 0.358 0.9998 3557740 ACon1_000406 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@@H]2OC(=O)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E05 compound treatment 1.027 0.0245 0.71 1.029 0.0277 0.82 1.0828 0.9975 3558077 ACon1_000407 O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E06 compound treatment 1.015 0.0125 0.36 1.027 0.0257 0.76 0.7953 0.9427 3558242 ACon1_000408 COc1cc2c(=O)c(coc2cc1O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E07 compound treatment 1.013 0.0105 0.31 1.025 0.0237 0.7 0.7125 0.9305 1524104 ACon1_000409 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E08 compound treatment 1.023 0.0205 0.6 1.019 0.0177 0.52 0.7919 0.998 2060441 ACon1_000410 OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E09 mock treatment 1.014 0.0115 0.33 1.005 0.00375 0.11 0.3149 0.8937 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E10 mock treatment 1.011 0.00855 0.25 1.016 0.0147 0.44 0.4834 0.964 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E11 compound treatment 1.029 0.0265 0.77 1.013 0.0117 0.35 0.7893 0.9355 3614358 ACon1_000411 C[C@H]1CCC[C@@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E12 compound treatment 1.02 0.0175 0.51 1.015 0.0137 0.41 0.6468 0.9939 3553963 ACon1_000412 CC1CC(=O)C2=C(C1)C3OC3C4(O)C(O)c5c(O)cccc5C(=O)C24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E13 compound treatment 1.019 0.0165 0.48 1.013 0.0117 0.35 0.5845 0.9875 2565 ACon1_000413 COC1=CC(=O)OC1(O)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E14 compound treatment 1.045 0.0425 1.23 1.032 0.0308 0.91 1.5142 0.9888 3554186 ACon1_000414 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)CC4CCC(O4)C(C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E15 compound treatment 1.005 0.00255 0.07 0.994 -0.00725 -0.21 -0.0994 -0.4386 3614360 ACon1_000415 COC1CC(=O)C2(C3C(CC(C)C)NC2=O)C(C=C(C)C3C)/C=C(\C)/CCC(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E16 compound treatment 1.041 0.0385 1.12 1.045 0.0437 1.29 1.704 0.9973 3559688 ACon1_000416 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E17 mock treatment 1.002 -4.53E-4 -0.01 1.018 0.0168 0.5 0.3409 0.6881 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E18 mock treatment 1.003 5.47E-4 0.02 1.001 -2.5E-4 -0.01 0.006 0.3417 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E19 compound treatment 1.018 0.0155 0.45 1.024 0.0227 0.67 0.794 0.9809 3557588 ACon1_000417 CC(=CCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(CC=C(C)C)c1C(O)C(=O)O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E20 compound treatment 1.033 0.0305 0.88 1.028 0.0268 0.79 1.1848 0.9984 3557280 ACon1_000418 C[C@H]1CC/C=C(\C)/[C@@H](O)/C=C/[C@@](C)(O)\C=C\C(=O)O[C@@H]1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E21 compound treatment 1.027 0.0245 0.71 1.036 0.0348 1.03 1.2292 0.9838 3557796 ACon1_000419 C/C(=C\CC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C)/CC[C@H](O)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E22 compound treatment 1.045 0.0425 1.23 1.046 0.0448 1.32 1.8069 0.9994 3554684 ACon1_000420 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@H]3N(CCc4cc(O)c(O)cc34)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E23 compound treatment 1.025 0.0225 0.65 1.023 0.0217 0.64 0.9164 1.0 3557854 ACon1_000421 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 E24 compound treatment 1.03 0.0275 0.8 1.008 0.00675 0.2 0.7052 0.8576 3559947 ACon1_000422 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C\c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F01 mock treatment 1.019 0.0165 0.48 1.018 0.0168 0.5 0.689 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F02 mock treatment 1.004 0.00155 0.04 1.015 0.0137 0.41 0.3191 0.7803 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F03 compound treatment 1.032 0.0295 0.86 1.033 0.0317 0.94 1.2689 0.9989 3558066 ACon1_000423 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F04 compound treatment 1.012 0.00955 0.28 1.018 0.0168 0.5 0.5457 0.9621 3559407 ACon1_000424 CC1=C2CC([C@@H](O)CC2(C)CCC1)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F05 compound treatment 1.052 0.0495 1.43 1.028 0.0268 0.79 1.5739 0.9606 3559280 ACon1_000425 COc1cc(cc(OC)c1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F06 compound treatment 1.046 0.0435 1.26 1.048 0.0468 1.38 1.8691 0.999 3555180 ACon1_000426 COc1ccc(CCc2cc(OC)cc(=O)o2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F07 compound treatment 1.014 0.0115 0.33 1.02 0.0187 0.55 0.6285 0.9707 3559863 ACon1_000427 CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4=NCCc5cc(OC)c(OC)cc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F08 compound treatment 1.009 0.00655 0.19 0.998 -0.00325 -0.1 0.0661 0.3111 3553794 ACon1_000428 CC[C@H](C)/C=C(\C)/C=C/C(=O)Cc1cc(O)c(C)c(O)c1C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F09 mock treatment 1.019 0.0165 0.48 1.019 0.0177 0.52 0.7099 0.999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F10 mock treatment 1.006 0.00355 0.1 1.015 0.0137 0.41 0.3601 0.8588 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F11 compound treatment 1.015 0.0125 0.36 1.022 0.0208 0.61 0.6907 0.9687 3554484 ACon1_000429 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4cccc(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F12 compound treatment 1.02 0.0175 0.51 0.985 -0.0163 -0.48 0.0196 0.028 3557861 ACon1_000430 CC(=CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F13 compound treatment 1.022 0.0195 0.57 1.023 0.0217 0.64 0.855 0.998 2060491 ACon1_000431 CC(C)CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F14 compound treatment 1.017 0.0145 0.42 1.012 0.0107 0.32 0.5226 0.9903 3552813 ACon1_000432 C[C@@H]1Oc2c(C(CC(=O)O)c3ccccc3)c4OC(C)(C)C=Cc4c(O)c2C(=O)[C@H]1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F15 compound treatment 1.019 0.0165 0.48 1.018 0.0168 0.5 0.689 0.9999 3553624 ACon1_000433 CC(C)CC(=O)O[C@H]1C(CC2O[C@]2(C)C1=O)C(=C)C(=O)/C=C/C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F16 compound treatment 1.079 0.0765 2.22 1.04 0.0388 1.15 2.3777 0.9528 3557942 ACon1_000434 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F17 mock treatment 1.027 0.0245 0.71 1.016 0.0147 0.44 0.811 0.9725 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F18 mock treatment 1.018 0.0155 0.45 0.99 -0.0113 -0.33 0.0832 0.1486 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F19 compound treatment 1.024 0.0215 0.62 1.032 0.0308 0.91 1.0841 0.9831 3559629 ACon1_000435 C/C=C(/C)\C(=O)O[C@H]1C[C@@](C)(O)C(=O)[C@@H](OC(=O)/C(=C\C)/C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F20 compound treatment 1.032 0.0295 0.86 1.022 0.0208 0.61 1.0389 0.9867 3554672 ACon1_000436 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F21 compound treatment 1.041 0.0385 1.12 1.033 0.0317 0.94 1.4532 0.9963 3559533 ACon1_000437 C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC3=C(C)C(=O)C[C@@H]13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F22 compound treatment 1.114 0.112 3.23 1.089 0.0877 2.59 4.1188 0.9941 3558196 ACon1_000438 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F23 compound treatment 1.028 0.0255 0.74 1.029 0.0277 0.82 1.1033 0.9987 3559742 ACon1_000439 C/C=C(/C)\C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)\C(=C\CO)\C)[C@H]1C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 F24 compound treatment 1.069 0.0665 1.93 1.071 0.0698 2.06 2.821 0.9994 1003829 ACon1_000440 CCCCCCC(O)CC=CCCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G01 compound treatment 1.01 0.00755 0.22 1.015 0.0137 0.41 0.442 0.9576 3557821 ACon1_000441 OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@@H](OC(CCCCc3ccc(O)cc3)CCc4ccc(O)cc4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]2O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G02 compound treatment 0.996 -0.00645 -0.19 1.001 -2.5E-4 -0.01 -0.1374 -0.7345 1119359 ACon1_000442 COc1cc2ccc(=O)oc2c(O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G03 mock treatment 0.997 -0.00545 -0.16 1.006 0.00475 0.14 -0.0124 -0.0585 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G04 mock treatment 1.007 0.00455 0.13 1.004 0.00275 0.08 0.1506 0.9732 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G05 compound treatment 1.035 0.0325 0.94 1.031 0.0297 0.88 1.2885 0.9994 3557908 ACon1_000443 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G06 compound treatment 1.03 0.0275 0.8 1.021 0.0197 0.58 0.977 0.9882 3552802 ACon1_000444 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G07 compound treatment 1.052 0.0495 1.43 1.044 0.0428 1.26 1.9084 0.998 3558163 ACon1_000445 CC1(C)O[C@@]2(C)CC[C@@H]1CC2OC3OC(CO)C(O)C(O)C3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G08 compound treatment 0.998 -0.00445 -0.13 0.881 -0.12 -3.56 -2.6052 -0.7323 3614356 ACon1_000446 COc1c(O)cc2C(O)C(C)OC(=O)c3c(O)c(OC)c(O)c(O)c3C(O)C(C)OC(=O)c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G09 compound treatment 0.997 -0.00545 -0.16 0.993 -0.00825 -0.24 -0.2841 -0.9779 1658516 ACon1_000447 CC(C)(O)C(O)COc1c2ccoc2cc3oc(=O)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G10 compound treatment 1.009 0.00655 0.19 1.012 0.0107 0.32 0.3588 0.9695 3614362 ACon1_000448 CC(=CCC/C(=C/CCC1(C)Oc2c3CN(C(CCC(=O)O)C(=O)O)C(=O)c3cc(O)c2CC1O)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G11 compound treatment 1.005 0.00255 0.07 0.992 -0.00925 -0.27 -0.1412 -0.4986 3553707 ACon1_000449 CC(CCC1C(C)(O)C(=O)C=C2C(C)(C)CCCC12C)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G12 compound treatment 1.004 0.00155 0.04 0.979 -0.0222 -0.66 -0.4335 -0.6574 3554773 ACon1_000450 COc1c(O)ccc2oc3c(OC)c4OC5(C)CCCC(O5)c4c(O)c3c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G13 compound treatment 1.044 0.0415 1.2 1.028 0.0268 0.79 1.4101 0.9793 3553974 ACon1_000451 CC1CC(=O)OC(C)C(O)/C=C/C(=O)OC(C)C(O)/C=C/C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G14 compound treatment 1.015 0.0125 0.36 1.008 0.00675 0.2 0.3981 0.9602 3555129 ACon1_000452 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G15 compound treatment 1.036 0.0335 0.97 1.025 0.0237 0.7 1.1835 0.9873 3557302 ACon1_000453 CC(=O)NCCc1ccc(O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G16 compound treatment 1.044 0.0415 1.2 1.04 0.0388 1.15 1.6609 0.9997 3559689 ACon1_000454 CO[C@H]1C[C@@H]2N3CC(O)[C@@]2(C=C1)c4cc5OCOc5cc4C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G17 compound treatment 1.057 0.0545 1.58 1.045 0.0437 1.29 2.0317 0.9951 3557386 ACon1_000455 CC1CCCC2OC2C(=O)c3c(O)cc(O)cc3CC(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G18 compound treatment 1.041 0.0385 1.12 1.043 0.0418 1.23 1.6622 0.9987 3553155 ACon1_000456 C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@H]2O)c3ccc4C(=O)C5=C(C=C[C@]6(O)C[C@@](C)(O)CC(=O)[C@]56O)C(=O)c4c3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G19 mock treatment 1.03 0.0275 0.8 1.011 0.00975 0.29 0.768 0.9053 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G20 mock treatment 1.012 0.00955 0.28 1.01 0.00875 0.26 0.3784 0.9994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G21 compound treatment 1.011 0.00855 0.25 1.008 0.00675 0.2 0.3161 0.9943 3554304 ACon1_000457 CCCCCCCCCCC1C(=O)OC(C(=O)O)C1(O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G22 compound treatment 0.997 -0.00545 -0.16 1.012 0.0107 0.32 0.1131 0.3186 1059159 ACon1_000458 COC(=O)C1=COC(C)C2CN3CCC4(C3CC21)C(=O)Nc5ccccc54 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G23 compound treatment 1.013 0.0105 0.31 0.992 -0.00925 -0.27 0.0226 0.0551 3557966 ACon1_000459 CC(=CCc1c(O)ccc2c(=O)c(coc12)c3ccc(O)cc3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 G24 compound treatment 1.041 0.0385 1.12 1.039 0.0377 1.12 1.5786 1.0 3554685 ACon1_000460 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@H](O)C[C@]3(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H01 compound treatment 0.994 -0.00845 -0.24 1.014 0.0127 0.38 0.0935 0.2079 3559300 ACon1_000461 C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@@H]6C7[C@@](C)(O)[C@@H](CC=C(C)C)O[C@@]7(O)[C@H](O)[C@]65C)C3(C)C)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H02 compound treatment 1.054 0.0515 1.49 1.052 0.0508 1.5 2.1166 1.0 3559819 ACon1_000462 C/C=C(\C)/C(=O)O[C@@H]1C[C@@](C)(O)C(=O)C[C@@H](O)\C(=C\[C@H]2OC(=O)C(=C)[C@@H]21)\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H03 mock treatment 1.023 0.0205 0.6 1.011 0.00975 0.29 0.6246 0.9446 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H04 mock treatment 0.998 -0.00445 -0.13 1.015 0.0137 0.41 0.1963 0.4602 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H05 compound treatment 1.017 0.0145 0.42 1.016 0.0147 0.44 0.6063 0.9999 3557937 ACon1_000463 COc1ccc(cc1)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H06 compound treatment 1.018 0.0155 0.45 0.995 -0.00625 -0.18 0.1877 0.3857 3559369 ACon1_000464 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC43C)C12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H07 compound treatment 1.008 0.00555 0.16 1.022 0.0208 0.61 0.5474 0.8632 3059949 ACon1_000465 CC(=O)NCCc1c[nH]c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H08 compound treatment 1.002 -4.53E-4 -0.01 1.023 0.0217 0.64 0.4454 0.6925 3553802 ACon1_000466 CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@H]([C@@H]3C2=CO1)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H09 compound treatment 1.004 0.00155 0.04 0.983 -0.0182 -0.54 -0.3499 -0.6462 3553991 ACon1_000467 Cc1cc(O)c(Oc2cc(C)cc(O)c2O)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H10 compound treatment 1.01 0.00755 0.22 0.986 -0.0153 -0.45 -0.1643 -0.3279 3557512 ACon1_000468 COc1cc(cc(OC)c1O)C(=O)OCC2(O)COC(OCC3OC(Oc4c(OC)cc(CO)cc4OC)C(O)C(O)C3O)C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H11 compound treatment 1.003 5.47E-4 0.02 1.0 -0.00125 -0.04 -0.0149 -0.3714 3557927 ACon1_000469 CCC/C=C/1\OC(=O)C2=C1CCC(O)C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H12 compound treatment 1.012 0.00955 0.28 1.006 0.00475 0.14 0.2948 0.9507 3558562 ACon1_000470 COc1cc2ccc(=O)oc2cc1OCC=C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H13 compound treatment 1.015 0.0125 0.36 1.018 0.0168 0.5 0.6071 0.9884 3554565 ACon1_000471 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@H]3[C@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@H]4CC[C@@]31C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H14 compound treatment 1.008 0.00555 0.16 0.999 -0.00225 -0.07 0.0666 0.3828 3558607 ACon1_000472 COc1c2CC(Oc2cc3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c13)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H15 compound treatment 1.006 0.00355 0.1 1.006 0.00475 0.14 0.1719 0.9882 3555928 ACon1_000473 Oc1cc2O/C(=C\c3cc(O)c(O)c(O)c3)/C(=O)c2c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H16 compound treatment 0.998 -0.00445 -0.13 1.021 0.0197 0.58 0.3217 0.538 3554273 ACon1_000474 CCCCCC[C@H](O)[C@@H]1C[C@@H](O)C2=C(O1)[C@@H](O)CCC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H17 compound treatment 0.994 -0.00845 -0.24 1.017 0.0157 0.47 0.1562 0.2968 3554214 ACon1_000475 CCCC#CC#CCCCCCCCCCCC(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H18 compound treatment 1.016 0.0135 0.39 0.999 -0.00225 -0.07 0.2304 0.5789 3554824 ACon1_000476 COc1cc(=O)oc(c1C)[C@@]2(C)O[C@H]2/C(=C\C(=C\[C@@]3(C)O[C@@H](C)[C@]4(C)OC43)\C)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H19 mock treatment 1.014 0.0115 0.33 1.007 0.00575 0.17 0.3567 0.9508 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H20 mock treatment 1.017 0.0145 0.42 1.007 0.00575 0.17 0.4181 0.9203 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H21 compound treatment 0.996 -0.00645 -0.19 1.002 7.5E-4 0.02 -0.1165 -0.6189 3559440 ACon1_000477 COc1c(OC)c2c(C)cccc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H22 compound treatment 1.129 0.127 3.66 1.077 0.0757 2.24 4.1751 0.9721 3553645 ACon1_000478 CC(C)CC1NC(=O)C23C1C(C)C(=CC3/C=C(\C)/CCC(O)C(O)/C=C/C2=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H23 compound treatment 1.025 0.0225 0.65 1.017 0.0157 0.47 0.791 0.9863 3553179 ACon1_000479 CC(=C)C(=O)O[C@H]1CC(=C)C2C[C@H](O)[C@](O)(CO)C2[C@H]3OC(=O)C(=C)[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 H24 compound treatment 1.007 0.00455 0.13 1.019 0.0177 0.52 0.4642 0.8579 3558419 ACon1_000480 CC(=O)O[C@H]1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I01 compound treatment 0.995 -0.00745 -0.22 1.013 0.0117 0.35 0.093 0.2274 3557823 ACon1_000481 OC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I02 compound treatment 1.006 0.00355 0.1 0.998 -0.00325 -0.1 0.0047 0.0333 3558086 ACon1_000482 CC1(C)OC2(C)CCC1CC2OC3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I03 compound treatment 0.99 -0.0125 -0.36 0.99 -0.0113 -0.33 -0.4902 -0.9992 3557594 ACon1_000483 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]3O[C@@H](Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)cc6)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I04 compound treatment 0.988 -0.0145 -0.42 0.987 -0.0143 -0.42 -0.5939 -1.0 3554871 ACon1_000484 COc1cc(cc2OCOc21)[C@H](OC(=O)/C(=C\C)/C)[C@@H](C)OC(=O)[C@](C)(O)[C@H](C)OC(=O)/C(=C\C)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I05 mock treatment 0.987 -0.0155 -0.45 0.99 -0.0113 -0.33 -0.5517 -0.9893 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I06 mock treatment 0.99 -0.0125 -0.36 0.996 -0.00525 -0.16 -0.3648 -0.929 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I07 compound treatment 1.001 -0.00145 -0.04 0.986 -0.0153 -0.45 -0.3486 -0.7698 3554216 ACon1_000485 CCCC(=O)O[C@@H]1C[C@@](C)(OC(=O)C)C2C[C@H](OC(=O)/C(=C/C)/C)C(=C2[C@H]3OC(=O)[C@](C)(O)[C@@]31O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I08 compound treatment 1.007 0.00455 0.13 1.008 0.00675 0.2 0.2342 0.9796 3558194 ACon1_000486 CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I09 compound treatment 0.992 -0.0105 -0.3 0.991 -0.0103 -0.3 -0.4284 -1.0 3553540 ACon1_000487 CC(C)C(NC=O)C(=O)OCC(O)C(O)C(O)C(O)COC(=O)C(NC=O)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I10 compound treatment 0.625 -0.377 -10.93 0.709 -0.292 -8.64 -13.8395 -0.9932 3552799 ACon1_000488 C[C@@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I11 compound treatment 0.999 -0.00345 -0.1 0.995 -0.00625 -0.18 -0.2014 -0.9584 3553147 ACon1_000489 C[C@H]1CCC[C@H]2C[C@@]3(O)OC(=O)C(=C3C[C@]12C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I12 compound treatment 0.995 -0.00745 -0.22 1.005 0.00375 0.11 -0.0742 -0.3059 3554781 ACon1_000490 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C(C(C)(C)O)C(C)(CCC(=O)O)C4Cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I13 compound treatment 1.023 0.0205 0.6 1.014 0.0127 0.38 0.6873 0.9757 3559698 ACon1_000491 C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)[C@H](O)C[C@H]3[C@@H](/C=C(\C)/C2=O)C3(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I14 compound treatment 0.986 -0.0165 -0.48 0.993 -0.00825 -0.24 -0.5094 -0.9516 3614364 ACon1_000492 CC1OC(=O)C23C(=C)C4(C)OC(=O)C31OC4C5=C(CO)C6(CCC52C)C(O)CC(=O)OC6(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I15 compound treatment 1.019 0.0165 0.48 0.995 -0.00625 -0.18 0.2082 0.4053 3553199 ACon1_000493 CC(=CCc1ccc(Oc2c(O)cc(C)cc2CO)c(C(=O)O)c1O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I16 compound treatment 0.956 -0.0465 -1.35 0.969 -0.0323 -0.95 -1.6255 -0.9858 3185114 ACon1_000494 CC[C@]1(C=CCN2CC[C@]3([C@H]4N(C)c5cc(OC)ccc53)[C@@H]21)[C@@H](OC(=O)C)[C@]4(O)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I17 compound treatment 1.04 0.0375 1.09 1.023 0.0217 0.64 1.2236 0.9686 3559677 ACon1_000495 C/C(=C\C(=O)O)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I18 compound treatment 1.008 0.00555 0.16 0.996 -0.00525 -0.16 0.0038 0.0172 804 ACon1_000496 COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I19 compound treatment 0.999 -0.00345 -0.1 1.001 -2.5E-4 -0.01 -0.0759 -0.7573 3557626 ACon1_000497 COc1ccc(CCC(=O)O)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I20 compound treatment 0.996 -0.00645 -0.19 0.995 -0.00625 -0.18 -0.2628 -1.0 3557415 ACon1_000498 COC(=O)C[C@@H]1C[C@@H](C)C2C([C@@H]1O)C(=O)c3c(O)c4C5CC(O)C(O)(C(C)O5)c4c(O)c3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I21 mock treatment 0.995 -0.00745 -0.22 0.992 -0.00925 -0.27 -0.346 -0.9931 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I22 mock treatment 0.993 -0.00945 -0.27 0.989 -0.0123 -0.36 -0.4497 -0.9905 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I23 compound treatment 1.02 0.0175 0.51 1.025 0.0237 0.7 0.8559 0.9874 3557848 ACon1_000499 O[C@@H]1[C@@H](O)[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 I24 compound treatment 1.022 0.0195 0.57 1.028 0.0268 0.79 0.9595 0.9866 3557958 ACon1_000500 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C1CCC3(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J01 compound treatment 0.988 -0.0145 -0.42 0.987 -0.0143 -0.42 -0.5939 -1.0 3554282 ACon1_000501 CCCCCCC(O)CCCCCC/C=C/[C@H](OC(=O)C)[C@@H](O)[C@H](O)[C@H](N)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J02 compound treatment 0.987 -0.0155 -0.45 0.978 -0.0233 -0.69 -0.8025 -0.9784 831700 ACon1_000502 CC(O)(CC(=O)O)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J03 compound treatment 0.984 -0.0185 -0.53 0.976 -0.0253 -0.75 -0.9058 -0.9866 3559146 ACon1_000503 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J04 compound treatment 1.001 -0.00145 -0.04 0.994 -0.00725 -0.21 -0.1813 -0.8301 3559332 ACon1_000504 CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J05 mock treatment 0.999 -0.00345 -0.1 0.979 -0.0222 -0.66 -0.5359 -0.8053 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J06 mock treatment 0.988 -0.0145 -0.42 0.998 -0.00325 -0.1 -0.3639 -0.8474 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J07 compound treatment 1.027 0.0245 0.71 1.023 0.0217 0.64 0.9574 0.9987 3559937 ACon1_000505 C[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CCC6=C5CC[C@]7(CCC(C)(C)C[C@@H]67)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C3(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J08 compound treatment 1.005 0.00255 0.07 1.013 0.0117 0.35 0.2978 0.8385 3558531 ACon1_000506 O[C@H]1[C@@H](C[C@](C[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)(OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O)OC(=O)/C=C/c4ccc(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J09 compound treatment 0.972 -0.0305 -0.88 0.985 -0.0163 -0.48 -0.9634 -0.9592 2060122 ACon1_000507 CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J10 compound treatment 0.987 -0.0155 -0.45 0.992 -0.00925 -0.27 -0.5098 -0.9721 3558561 ACon1_000508 COc1cc2ccc(=O)oc2cc1OCC3OC3(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J11 compound treatment 0.979 -0.0235 -0.68 0.987 -0.0143 -0.42 -0.7782 -0.9736 3552721 ACon1_000509 C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J12 compound treatment 0.984 -0.0185 -0.53 1.004 0.00275 0.08 -0.3204 -0.5927 3555910 ACon1_000510 OC[C@H]1O[C@@H](Oc2cccc3cc4COC(=O)c4c(O)c23)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J13 compound treatment 1.013 0.0105 0.31 1.004 0.00275 0.08 0.2735 0.8652 154 ACon1_000511 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]3C[C@@H]4C[C@@]32CC[C@]4(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J14 compound treatment 0.982 -0.0205 -0.59 0.989 -0.0123 -0.36 -0.675 -0.9721 3554559 ACon1_000512 COC(=O)[C@]1(C)OC(=O)[C@@H]2[C@](C)(C(=C)C[C@]3(O)[C@@]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C@@]23C)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J15 compound treatment 1.03 0.0275 0.8 1.013 0.0117 0.35 0.8098 0.9306 1038770 ACon1_000513 COc1cc(O)c2c(=O)c(OC)c(oc2c1)c3ccc(OC)c(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J16 compound treatment 1.001 -0.00145 -0.04 0.99 -0.0113 -0.33 -0.265 -0.7903 3558004 ACon1_000514 OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C(COC(=O)/C=C/c4ccccc4)[C@H]32)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J17 compound treatment 0.991 -0.0115 -0.33 1.026 0.0248 0.73 0.2829 0.3521 3552617 ACon1_000515 C[C@@H]1[C@@H](C[C@]23COC(=O)C3=CCC[C@@H]2[C@@]1(C)CC(OC(=O)C)c4ccoc4)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J18 compound treatment 0.993 -0.00945 -0.27 1.004 0.00275 0.08 -0.1361 -0.4765 1062454 ACon1_000516 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J19 compound treatment 0.997 -0.00545 -0.16 1.001 -2.5E-4 -0.01 -0.1169 -0.7394 3559776 ACon1_000517 CCOC(=O)C1C(=O)C(=O)Nc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J20 compound treatment 1.01 0.00755 0.22 1.005 0.00375 0.11 0.2329 0.9505 3554280 ACon1_000518 CCCCCCC(C)C/C(=C\C(CO)\C=C(/C)\C=C\C(O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J21 mock treatment 0.989 -0.0135 -0.39 1.01 0.00875 0.26 -0.0926 -0.1979 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J22 mock treatment 1.003 5.47E-4 0.02 0.988 -0.0133 -0.39 -0.2658 -0.678 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J23 compound treatment 1.032 0.0295 0.86 1.018 0.0168 0.5 0.9553 0.9662 3554751 ACon1_000519 COC1=CC(=O)O[C@@H](CCc2ccccc2)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 J24 compound treatment 0.992 -0.0105 -0.3 1.009 0.00775 0.23 -0.052 -0.1371 3558337 ACon1_000520 O[C@@H]1C=C(C[C@@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K01 compound treatment 1.032 0.0295 0.86 1.01 0.00875 0.26 0.788 0.8815 3557834 ACon1_000521 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K02 compound treatment 0.994 -0.00845 -0.24 1.007 0.00575 0.17 -0.0529 -0.1775 3558087 ACon1_000522 OCC1OC(Oc2cc(O)c(C(=O)O)c(/C=C/c3ccccc3)c2)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K03 compound treatment 1.062 0.0595 1.72 1.044 0.0428 1.26 2.1132 0.9883 3558017 ACon1_000523 COc1cc(O)c2c(=O)c(OC3OC(CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)C(O)C(O)C3O)c(oc2c1)c6ccc(O)cc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K04 compound treatment 1.005 0.00255 0.07 1.002 7.5E-4 0.02 0.0678 0.8807 3554289 ACon1_000524 CCCCCCCC(=O)O[C@H]1[C@H](OC(=O)/C(=C/C)/C)C(=C2[C@H]3OC(=O)[C@](C)(O)[C@]3(O)[C@@H](C[C@@](C)(OC(=O)C)[C@H]12)OC(=O)C(C)CC)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K05 compound treatment 1.028 0.0255 0.74 1.017 0.0157 0.47 0.8524 0.9751 3558061 ACon1_000525 CC1CC(O)C2C(OC(=O)C2=C)C3=C(C)C(=O)CC13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K06 compound treatment 0.999 -0.00345 -0.1 1.011 0.00975 0.29 0.1331 0.4363 3555625 ACon1_000526 O[C@H]1[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@@H](Oc3ccc(O)cc3COC(=O)C4(O)C=CCCC4=O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K07 mock treatment 1.029 0.0265 0.77 1.005 0.00375 0.11 0.622 0.8008 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K08 mock treatment 1.013 0.0105 0.31 1.009 0.00775 0.23 0.378 0.99 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K09 compound treatment 1.013 0.0105 0.31 1.008 0.00675 0.2 0.3571 0.9787 3559841 ACon1_000527 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](COC(=O)C)[C@@H](O)[C@@H](O)[C@H]5O)c(O)c3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K10 compound treatment 1.008 0.00555 0.16 1.0 -0.00125 -0.04 0.0875 0.5306 3554769 ACon1_000528 COc1c(O)cc2C(O)C(C)OC(=O)c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K11 compound treatment 1.024 0.0215 0.62 1.014 0.0127 0.38 0.7078 0.9709 3557888 ACon1_000529 OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K12 compound treatment 1.012 0.00955 0.28 1.013 0.0117 0.35 0.4412 0.9936 3614365 ACon1_000530 CC1(CO)CCCC2(C)C1C(=O)CC3=C2COC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K13 compound treatment 0.995 -0.00745 -0.22 1.002 7.5E-4 0.02 -0.1369 -0.6311 3559595 ACon1_000531 C/C/1=C\CC[C@@]2(C)O[C@@H]2C[C@H]3[C@H](C1)OC(=O)C3=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K14 compound treatment 0.989 -0.0135 -0.39 0.986 -0.0153 -0.45 -0.5943 -0.9974 3557305 ACon1_000532 COc1cc(O)cc(C(=O)O)c1Oc2cc(C)cc(O)c2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K15 mock treatment 0.991 -0.0115 -0.33 1.003 0.00175 0.05 -0.198 -0.5897 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K16 mock treatment 0.994 -0.00845 -0.24 0.981 -0.0203 -0.6 -0.5965 -0.9221 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K17 compound treatment 1.017 0.0145 0.42 1.03 0.0288 0.85 0.899 0.9476 3614366 ACon1_000533 CC(C)CC1NC(=O)C(C)NC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K18 compound treatment 0.999 -0.00345 -0.1 1.026 0.0248 0.73 0.4467 0.6048 3559135 ACon1_000534 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K19 compound treatment 1.007 0.00455 0.13 1.002 7.5E-4 0.02 0.1088 0.8147 3557598 ACon1_000535 COc1c(O)cc2oc(c(OC)c(=O)c2c1O)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K20 compound treatment 1.029 0.0265 0.77 1.054 0.0528 1.56 1.6465 0.9469 3558949 ACon1_000536 C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K21 compound treatment 1.011 0.00855 0.25 0.998 -0.00325 -0.1 0.1071 0.4033 3552947 ACon1_000537 C[C@H]1[C@@H](O)C[C@H]2[C@@H]1[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K22 compound treatment 1.012 0.00955 0.28 1.011 0.00975 0.29 0.3993 0.9998 1092498 ACon1_000538 OCC(O)c1nc(CO)cc2c3ccccc3[nH]c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K23 mock treatment 1.003 5.47E-4 0.02 0.996 -0.00525 -0.16 -0.0986 -0.6317 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 K24 mock treatment 1.009 0.00655 0.19 1.005 0.00375 0.11 0.2125 0.9673 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L01 compound treatment 0.987 -0.0155 -0.45 1.016 0.0147 0.44 -0.0081 -0.0129 3554760 ACon1_000539 COc1c(CO)c(O)cc2C(O)CCC(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L02 compound treatment 1.006 0.00355 0.1 0.993 -0.00825 -0.24 -0.0998 -0.3772 3559718 ACon1_000540 C[C@H]1C[C@H](O)C[C@H]2[C@H](OC(=O)C=C(C)C)[C@H](O)[C@H](C[C@]12C)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L03 compound treatment 1.015 0.0125 0.36 1.026 0.0248 0.73 0.7744 0.9478 3558002 ACon1_000541 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)/C=C/c7ccccc7)[C@H]1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L04 compound treatment 1.019 0.0165 0.48 1.005 0.00375 0.11 0.4173 0.8483 3559482 ACon1_000542 C/C=C(\C)/C(=O)O[C@@H]1C\C(=C\CC\C(=C\[C@H]2OC(=O)C(=C)C21)\C)\C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L05 compound treatment 1.006 0.00355 0.1 1.001 -2.5E-4 -0.01 0.0674 0.6545 592 ACon1_000543 Oc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L06 compound treatment 1.013 0.0105 0.31 0.99 -0.0113 -0.33 -0.0192 -0.0426 3614367 ACon1_000544 C[C@H]1[C@H](O)CCC2=CC(=O)[C@H](C[C@]12C)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L07 mock treatment 1.013 0.0105 0.31 1.012 0.0107 0.32 0.4407 0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L08 mock treatment 1.019 0.0165 0.48 0.999 -0.00225 -0.07 0.2918 0.6032 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L09 compound treatment 0.994 -0.00845 -0.24 0.998 -0.00325 -0.1 -0.2411 -0.9166 1024930 ACon1_000545 COc1c2C=CC(C)(C)Oc2cc3oc(=O)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L10 compound treatment 1.007 0.00455 0.13 1.013 0.0117 0.35 0.3388 0.9118 3558539 ACon1_000546 OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L11 compound treatment 1.026 0.0235 0.68 1.026 0.0248 0.73 0.9996 0.9994 3557749 ACon1_000547 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L12 compound treatment 0.994 -0.00845 -0.24 1.005 0.00375 0.11 -0.0947 -0.3524 3555408 ACon1_000548 CSC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L13 compound treatment 1.0 -0.00245 -0.07 1.016 0.0147 0.44 0.2581 0.5842 1010501 ACon1_000549 Cn1c(=O)n(C)c2c(=O)n(C)c(=O)n(C)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L14 compound treatment 1.007 0.00455 0.13 0.973 -0.0283 -0.84 -0.4975 -0.5884 3558008 ACon1_000550 COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(=O)O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L15 mock treatment 0.995 -0.00745 -0.22 1.006 0.00475 0.14 -0.0533 -0.2071 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L16 mock treatment 0.986 -0.0165 -0.48 1.005 0.00375 0.11 -0.2585 -0.5285 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L17 compound treatment 1.02 0.0175 0.51 1.051 0.0498 1.47 1.3994 0.8992 2060138 ACon1_000551 C[C@]1([C@H]2[C@H](C(=O)O)[C@]3(CC(=C)[C@@]4(O)C3)[C@@H](CC4)[C@]52OC1=O)[C@@H](O)C=C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L18 compound treatment 0.981 -0.0215 -0.62 0.995 -0.00625 -0.18 -0.57 -0.8793 3558019 ACon1_000552 CC1C2CC3C(CCC(=O)C)C3(C)CC2OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L19 compound treatment 1.013 0.0105 0.31 1.024 0.0227 0.67 0.6916 0.9362 3559721 ACon1_000553 C/C(=C\CO)/C(=O)O[C@@H]1C\C(=C\CC[C@@]2(C)OC2[C@H]3OC(=O)C(=C)C31)\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L20 compound treatment 1.03 0.0275 0.8 1.026 0.0248 0.73 1.0815 0.9991 3558114 ACon1_000554 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)/C=C/c5ccccc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L21 compound treatment 1.011 0.00855 0.25 1.007 0.00575 0.17 0.2952 0.9832 3553337 ACon1_000555 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@]2(C)[C@@H](CC3[C@H](OC(=O)C3=C)[C@H]2C1=C)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L22 compound treatment 1.15 0.148 4.27 1.135 0.134 3.95 5.8178 0.9993 3558119 ACon1_000556 COc1ccc(/C=C/C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L23 mock treatment 1.008 0.00555 0.16 1.021 0.0197 0.58 0.5265 0.8693 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 L24 mock treatment 1.016 0.0135 0.39 1.021 0.0197 0.58 0.6903 0.9813 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M01 compound treatment 1.086 0.0835 2.42 1.052 0.0508 1.5 2.7719 0.9736 3557875 ACon1_000557 CC(CCc1ccc(O)cc1)O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M02 compound treatment 0.988 -0.0145 -0.42 0.983 -0.0182 -0.54 -0.6775 -0.9921 3558144 ACon1_000558 Cc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M03 compound treatment 0.992 -0.0105 -0.3 0.995 -0.00625 -0.18 -0.3447 -0.972 3557783 ACon1_000559 O[C@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M04 compound treatment 0.989 -0.0135 -0.39 0.978 -0.0233 -0.69 -0.7616 -0.9638 353 ACon1_000560 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M05 compound treatment 0.983 -0.0195 -0.56 0.987 -0.0143 -0.42 -0.6963 -0.9898 3555963 ACon1_000561 OCC1OC(OC(=O)c2c(O)cc(O)cc2/C=C/c3ccccc3)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M06 compound treatment 0.984 -0.0185 -0.53 0.982 -0.0193 -0.57 -0.7803 -0.9995 3557538 ACon1_000562 CC1CC2OC(=O)C(=C)C2CC3OC31/C=C/C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M07 compound treatment 0.984 -0.0185 -0.53 0.988 -0.0133 -0.39 -0.6549 -0.9883 3558167 ACon1_000563 CCCCCC(=O)OC1C(OC(=O)/C(=C/C)/C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M08 compound treatment 0.993 -0.00945 -0.27 0.985 -0.0163 -0.48 -0.5333 -0.9644 3558079 ACon1_000564 CC(=O)O[C@@]1(C)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M09 mock treatment 0.995 -0.00745 -0.22 0.988 -0.0133 -0.39 -0.4296 -0.9606 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M10 mock treatment 0.971 -0.0315 -0.91 0.971 -0.0302 -0.89 -1.2765 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M11 compound treatment 1.014 0.0115 0.33 0.985 -0.0163 -0.48 -0.1033 -0.1764 3558160 ACon1_000565 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M12 compound treatment 0.967 -0.0355 -1.03 0.994 -0.00725 -0.21 -0.8776 -0.8367 3614369 ACon1_000566 COc1ccc(C(=O)Oc2ccc(C)c3CC(C)OC(=O)c23)c4CC(C)OC(=O)c14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M13 mock treatment 0.986 -0.0165 -0.48 0.977 -0.0243 -0.72 -0.8439 -0.9803 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M14 mock treatment 0.971 -0.0315 -0.91 0.985 -0.0163 -0.48 -0.9838 -0.9553 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M15 compound treatment 0.975 -0.0275 -0.8 0.976 -0.0253 -0.75 -1.0901 -0.9995 3554270 ACon1_000567 CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M16 compound treatment 0.968 -0.0345 -1.0 0.987 -0.0143 -0.42 -1.0035 -0.9265 3559697 ACon1_000568 CC1(C)[C@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(=C)CC[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M17 compound treatment 1.04 0.0375 1.09 1.035 0.0337 1.0 1.4745 0.9991 3614370 ACon1_000569 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@]76C)[C@@]4(C)CO)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M18 compound treatment 0.992 -0.0105 -0.3 0.994 -0.00725 -0.21 -0.3656 -0.9857 3554688 ACon1_000570 COC(=O)C1=CO[C@@H](OC2OC(CO)C(O)C(O)C2O)[C@H](C=C)[C@@H]1CCOC(=O)c3cc(O)c(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M19 compound treatment 0.999 -0.00345 -0.1 0.997 -0.00425 -0.13 -0.1596 -0.9936 3553705 ACon1_000571 CC(CCC1(O)OC(=O)C=C1C)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M20 compound treatment 0.989 -0.0135 -0.39 0.988 -0.0133 -0.39 -0.5525 -1.0 3559384 ACon1_000572 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@@H]31)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@@H](O)C[C@@H]64 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M21 compound treatment 1.0 -0.00245 -0.07 0.978 -0.0233 -0.69 -0.5363 -0.7761 3557814 ACon1_000573 COc1cc(cc(OC)c1O)C2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M22 compound treatment 1.017 0.0145 0.42 1.006 0.00475 0.14 0.3972 0.8944 1023017 ACon1_000574 COc1cc2oc(=O)ccc2cc1CC=C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M23 compound treatment 1.013 0.0105 0.31 0.995 -0.00625 -0.18 0.0853 0.239 3558029 ACon1_000575 COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]2O)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 M24 compound treatment 1.046 0.0435 1.26 1.048 0.0468 1.38 1.8691 0.999 3559875 ACon1_000576 COc1ccc(cc1)c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N01 compound treatment 1.011 0.00855 0.25 1.013 0.0117 0.35 0.4207 0.9862 3558056 ACon1_000577 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N02 compound treatment 0.977 -0.0255 -0.74 0.983 -0.0182 -0.54 -0.9028 -0.9882 2118288 ACon1_000578 CCCC#C/C=C/1\OC(=O)C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N03 compound treatment 0.987 -0.0155 -0.45 0.991 -0.0103 -0.3 -0.5307 -0.982 3558083 ACon1_000579 CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N04 compound treatment 0.993 -0.00945 -0.27 0.984 -0.0173 -0.51 -0.5542 -0.9575 3553187 ACon1_000580 CC(=CCC/C(=C/COc1cc(=O)oc2cccc(C)c12)/COC(=O)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N05 compound treatment 0.989 -0.0135 -0.39 0.988 -0.0133 -0.39 -0.5525 -1.0 3173763 ACon1_000581 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N06 compound treatment 0.507 -0.495 -14.35 0.495 -0.506 -14.97 -20.73 -0.9998 1733214 ACon1_000582 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N07 compound treatment 0.988 -0.0145 -0.42 0.997 -0.00425 -0.13 -0.3848 -0.8806 1043213 ACon1_000583 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N08 compound treatment 1.016 0.0135 0.39 1.001 -2.5E-4 -0.01 0.2722 0.6937 3558609 ACon1_000584 COc1cc(ccc1O)[C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N09 mock treatment 0.998 -0.00445 -0.13 0.989 -0.0123 -0.36 -0.3473 -0.9033 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N10 mock treatment 0.989 -0.0135 -0.39 0.974 -0.0273 -0.81 -0.8452 -0.9444 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N11 compound treatment 0.983 -0.0195 -0.56 0.987 -0.0143 -0.42 -0.6963 -0.9898 3553255 ACon1_000585 CC(=O)CCCC1Cc2cccc(O)c2C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N12 compound treatment 0.994 -0.00845 -0.24 0.991 -0.0103 -0.3 -0.3874 -0.9944 3553375 ACon1_000586 CC(=O)OC[C@@]12CCC(=CC2O[C@@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]1(C)C53CO5)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N13 mock treatment 0.984 -0.0185 -0.53 0.99 -0.0113 -0.33 -0.6131 -0.974 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N14 mock treatment 0.976 -0.0265 -0.77 0.98 -0.0213 -0.63 -0.986 -0.9952 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N15 compound treatment 0.991 -0.0115 -0.33 0.989 -0.0123 -0.36 -0.4906 -0.999 1303116 ACon1_000587 Oc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N16 compound treatment 0.991 -0.0115 -0.33 0.99 -0.0113 -0.33 -0.4697 -1.0 3557944 ACon1_000588 C/C(=C\C(=O)O)/CCC1=C(C)CCC2C(C)(C)CCC[C@@]21C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N17 compound treatment 1.026 0.0235 0.68 1.036 0.0348 1.03 1.2087 0.9802 3559690 ACon1_000589 COC(=O)C1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1/C(=C\C)/CN2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N18 compound treatment 1.003 5.47E-4 0.02 1.003 0.00175 0.05 0.0478 0.8831 3558020 ACon1_000590 OC[C@H]1OC([C@H](O)[C@@H](O)[C@H]1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N19 compound treatment 1.006 0.00355 0.1 1.014 0.0127 0.38 0.3392 0.8681 3559729 ACon1_000591 CC1=CC2(CC1CC=C23)CCC4[C@](C)(CO)[C@H](O)CC[C@]43C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N20 compound treatment 1.006 0.00355 0.1 1.024 0.0227 0.67 0.5483 0.8058 3558252 ACon1_000592 COc1cc2occc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1CCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N21 compound treatment 0.978 -0.0245 -0.71 1.009 0.00775 0.23 -0.3387 -0.4551 3553911 ACon1_000593 CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N22 compound treatment 0.997 -0.00545 -0.16 0.992 -0.00925 -0.27 -0.3051 -0.9659 3558104 ACon1_000594 CC1CC(=O)[C@@]2(O)[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)OCCc4ccc(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N23 compound treatment 0.983 -0.0195 -0.56 1.003 0.00175 0.05 -0.3618 -0.6395 3554077 ACon1_000595 Cc1cccc2oc(=O)c3c(O[C@@]4(C[C@]3(C)C=C)OC[C@@]5(C)O[C@H]54)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 N24 compound treatment 0.985 -0.0175 -0.51 0.977 -0.0243 -0.72 -0.8644 -0.9854 3558467 ACon1_000596 Oc1cc(O)cc(CCCCCCC/C=C\C/C=C\CC=C)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O01 compound treatment 1.029 0.0265 0.77 1.037 0.0357 1.06 1.291 0.9878 3557850 ACon1_000597 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O02 compound treatment 0.997 -0.00545 -0.16 1.023 0.0217 0.64 0.343 0.5181 3558145 ACon1_000598 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@](C)(C7CC[C@@]6(C)[C@]5(C)CC3)C(=O)O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O03 compound treatment 1.006 0.00355 0.1 1.005 0.00375 0.11 0.151 0.9993 3554994 ACon1_000599 COc1cc(O)cc(c2cc(O)c(O)cc2C)c1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O04 compound treatment 1.018 0.0155 0.45 1.015 0.0137 0.41 0.6058 0.9987 3558210 ACon1_000600 Oc1ccc(/C=C/C(=O)NCCCCN(CCCN(CCCNC(=O)\C=C\c2ccc(O)cc2)C(=O)\C=C\c3ccc(O)cc3)C(=O)\C=C\c4ccc(O)cc4)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O05 compound treatment 1.016 0.0135 0.39 1.013 0.0117 0.35 0.5231 0.9982 3558099 ACon1_000601 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O[C@@H]5O[C@H](CO)C(O)[C@H](O)[C@H]5O)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O06 compound treatment 0.992 -0.0105 -0.3 1.003 0.00175 0.05 -0.1775 -0.5779 3557819 ACon1_000602 COC(=O)/C=C(\C)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O07 compound treatment 1.037 0.0345 1.0 1.043 0.0418 1.23 1.5803 0.9946 3558175 ACon1_000603 CC1CC2OC(=O)C(=C)C2CC=C1CCC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O08 compound treatment 1.084 0.0815 2.36 1.106 0.105 3.1 3.8599 0.991 3557525 ACon1_000604 CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c4ccc(O)c(O)c4)C(OC5OCC(O)C(O)C5O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O09 compound treatment 1.031 0.0285 0.83 1.044 0.0428 1.26 1.4783 0.9788 3614377 ACon1_000605 C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O10 compound treatment 1.002 -4.53E-4 -0.01 1.006 0.00475 0.14 0.09 0.6383 3558377 ACon1_000606 CC(=CCc1c(O)cc2occ(c3ccc(O)cc3O)c(=O)c2c1O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O11 mock treatment 0.996 -0.00645 -0.19 1.008 0.00675 0.2 0.009 0.0328 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O12 mock treatment 1.013 0.0105 0.31 1.014 0.0127 0.38 0.4825 0.9946 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O13 compound treatment 1.008 0.00555 0.16 1.008 0.00675 0.2 0.2547 0.9942 3558336 ACon1_000607 COc1cc(cc(OC)c1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O14 compound treatment 1.126 0.124 3.58 1.128 0.127 3.75 5.1799 0.9997 3559606 ACon1_000608 COc1cc(CCc2ccc3OCOc3c2)oc(=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O15 compound treatment 1.02 0.0175 0.51 1.021 0.0197 0.58 0.7722 0.9976 3553200 ACon1_000609 CC(=CCCC(C)(O)C(O)CC(OC(=O)C)/C(=C/COCC(O)C(O)C(O)C(O)CO)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O16 compound treatment 1.112 0.11 3.17 1.114 0.113 3.33 4.6005 0.9997 3074726 ACon1_000610 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3O)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O17 compound treatment 1.017 0.0145 0.42 1.028 0.0268 0.79 0.8571 0.9565 3557679 ACon1_000611 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O18 compound treatment 0.996 -0.00645 -0.19 1.009 0.00775 0.23 0.0299 0.101 3559274 ACon1_000612 COc1cc(OC)c(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O19 compound treatment 0.977 -0.0255 -0.74 0.985 -0.0163 -0.48 -0.861 -0.9785 3557735 ACon1_000613 COC1CC(O[C@H]2CC[C@@]3(C)C(CCC4C3CC[C@]5(C)C(CCC45O)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O20 compound treatment 1.09 0.0875 2.54 1.114 0.113 3.33 4.15 0.9909 3558277 ACon1_000614 C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](Oc3c(oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)c6ccc(O)cc6)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O21 compound treatment 0.998 -0.00445 -0.13 1.027 0.0257 0.76 0.4471 0.5791 3557827 ACon1_000615 OC(CCCCc1ccc(O)cc1)CCc2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O22 compound treatment 1.017 0.0145 0.42 1.034 0.0328 0.97 0.9826 0.9305 3557897 ACon1_000616 C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O23 compound treatment 1.007 0.00455 0.13 1.016 0.0147 0.44 0.4015 0.8813 3555034 ACon1_000617 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@@H](C)[C@H](O)[C@H]2OC(=O)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 O24 compound treatment 1.042 0.0395 1.15 1.039 0.0377 1.12 1.5991 0.9999 3559877 ACon1_000618 OC[C@H]1O[C@@H](Oc2cc(O)c(C(=O)CCc3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P01 compound treatment 0.996 -0.00645 -0.19 0.997 -0.00425 -0.13 -0.221 -0.9813 3559267 ACon1_000619 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)[C@H]([C@H](O)[C@](C)(CO)C5CC[C@]43C)C(=O)O)C12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P02 compound treatment 1.007 0.00455 0.13 1.011 0.00975 0.29 0.297 0.937 3559411 ACon1_000620 CC(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@H]1OC(=O)/C=C/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P03 compound treatment 1.038 0.0355 1.03 1.037 0.0357 1.06 1.4753 0.9999 3557780 ACon1_000621 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@](C)(CCC[C@]12C)C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P04 compound treatment 1.018 0.0155 0.45 1.001 -2.5E-4 -0.01 0.3131 0.6954 1506 ACon1_000622 OCc1cc(=O)c(O)co1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P05 compound treatment 1.013 0.0105 0.31 1.022 0.0208 0.61 0.6498 0.9481 3557935 ACon1_000623 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P06 compound treatment 1.014 0.0115 0.33 1.005 0.00375 0.11 0.3149 0.8937 3554108 ACon1_000624 CCC(C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(=O)C)C(=O)C2=CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P07 compound treatment 0.972 -0.0305 -0.88 0.979 -0.0222 -0.66 -1.0888 -0.9896 1043213 ACon1_000625 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P08 compound treatment 0.995 -0.00745 -0.22 1.003 0.00175 0.05 -0.116 -0.5228 3557255 ACon1_000626 OC(=O)C(=C)Oc1cccc(c1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P09 compound treatment 1.007 0.00455 0.13 1.008 0.00675 0.2 0.2342 0.9796 3559264 ACon1_000627 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P10 compound treatment 1.01 0.00755 0.22 0.999 -0.00225 -0.07 0.1075 0.4706 3553970 ACon1_000628 Cc1cc(=O)c2c(O)c3CC(Oc3cc2o1)C(C)(C)OC4OC(CO)C(O)C(O)C4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P11 mock treatment 0.999 -0.00345 -0.1 1.005 0.00375 0.11 0.0077 0.0515 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P12 mock treatment 0.998 -0.00445 -0.13 1.004 0.00275 0.08 -0.0337 -0.221 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P13 compound treatment 1.034 0.0315 0.91 1.037 0.0357 1.06 1.3934 0.9974 3553930 ACon1_000629 CC1=CC(=O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3CC12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P14 compound treatment 1.014 0.0115 0.33 1.014 0.0127 0.38 0.503 0.9982 3557957 ACon1_000630 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C(C)C(O)CC31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P15 compound treatment 1.018 0.0155 0.45 1.011 0.00975 0.29 0.5222 0.9768 3559851 ACon1_000631 COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P16 compound treatment 1.029 0.0265 0.77 0.999 -0.00225 -0.07 0.4966 0.6435 3554298 ACon1_000632 CCCCCCCCCC(O)CC(O)CC(O)CC1CC=CC(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P17 compound treatment 1.009 0.00655 0.19 1.007 0.00575 0.17 0.2543 0.9985 3559696 ACon1_000633 COc1cc2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P18 compound treatment 1.002 -4.53E-4 -0.01 1.03 0.0288 0.85 0.5918 0.6961 3558198 ACon1_000634 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P19 compound treatment 1.04 0.0375 1.09 1.048 0.0468 1.38 1.7463 0.9929 3559409 ACon1_000635 CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P20 compound treatment 1.099 0.0965 2.8 1.09 0.0888 2.62 3.8326 0.9995 3558052 ACon1_000636 COc1cc2ccc(=O)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P21 compound treatment 1.039 0.0365 1.06 1.043 0.0418 1.23 1.6213 0.9971 1001932 ACon1_000637 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P22 compound treatment 1.007 0.00455 0.13 1.03 0.0288 0.85 0.6942 0.807 3559888 ACon1_000638 Oc1ccc(c(O)c1)c2coc3cc(O)cc(O)c3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P23 compound treatment 1.067 0.0645 1.87 1.061 0.0597 1.77 2.571 0.9996 3559630 ACon1_000639 CC(C)C(=O)OCC(=C)C1Oc2cc(ccc2C1OC(=O)C(C)C)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2291 P24 compound treatment 1.02 0.0175 0.51 1.002 7.5E-4 0.02 0.375 0.7373 3558347 ACon1_000640 C[C@]1(CCC[C@]2(C)C1CC[C@]3(CC4CC[C@]32O)CC4=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A01 compound treatment 1.014 0.00642 0.19 1.001 0.00353 0.1 0.2053 0.9627 3558339 ACon1_000641 COC(=O)C1=C[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A02 compound treatment 1.036 0.0284 0.82 1.024 0.0265 0.78 1.1367 0.9997 3558365 ACon1_000642 CC(=CCC/C(=C/C(C/C(=C/C(CC(C)(O)C=C)OC(=O)C)/C)OC(=O)C)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A03 compound treatment 0.999 -0.00858 -0.25 0.993 -0.00447 -0.13 -0.2691 -0.9563 3558431 ACon1_000643 CC(=CCC(O)/C(=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A04 compound treatment 1.006 -0.00158 -0.05 0.998 5.31E-4 0.02 -0.0212 -0.4389 3559889 ACon1_000644 CCC(=O)OCC1=CCCC2C(C)(CCC(C)CC(=O)O)C(C)CCC21C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A05 compound treatment 1.008 4.22E-4 0.01 1.004 0.00653 0.19 0.1452 0.7503 3558559 ACon1_000645 COc1cc2ccc(=O)oc2cc1OCC(O)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A06 compound treatment 1.003 -0.00458 -0.13 1.001 0.00353 0.1 -0.0199 -0.1181 3558221 ACon1_000646 C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC(=O)c3ccoc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A07 compound treatment 1.03 0.0224 0.65 1.021 0.0235 0.7 0.9511 0.9994 3614399 ACon1_000647 COc1cc(O)cc2cc3C[C@](C)(O)CC(=O)c3c(O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A08 compound treatment 0.978 -0.0296 -0.86 0.973 -0.0245 -0.72 -1.1173 -0.9965 3559065 ACon1_000648 COc1cc2OC(C)(C)C=Cc2c3oc(cc(=O)c13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A09 compound treatment 1.021 0.0134 0.39 1.007 0.00953 0.28 0.4741 0.9875 3557259 ACon1_000649 COc1c(C)c(oc(=O)c1C)[C@@]2(C)O[C@H]2/C(=C\C(=C\[C@@]3(C)O[C@@H](C)[C@]4(C)OC43)\C)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A10 compound treatment 1.004 -0.00358 -0.1 0.989 -0.00847 -0.25 -0.2503 -0.9238 3559150 ACon1_000650 COc1ccc(cc1O)c2coc3cc(O)ccc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A11 compound treatment 0.997 -0.0106 -0.31 0.992 -0.00547 -0.16 -0.331 -0.9554 3553959 ACon1_000651 CC1C2C(CC(C)(O)C3CC4OC4(C)C3(O)C2=O)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A12 compound treatment 0.985 -0.0226 -0.65 0.98 -0.0175 -0.52 -0.8276 -0.9932 3614402 ACon1_000652 COc1ccc(cc1)C2Oc3cc(OC)ccc3CC2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A13 mock treatment 0.999 -0.00858 -0.25 0.984 -0.0135 -0.4 -0.4572 -0.9742 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A14 mock treatment 0.975 -0.0326 -0.94 0.974 -0.0235 -0.69 -1.1578 -0.9886 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A15 compound treatment 0.994 -0.0136 -0.39 0.984 -0.0135 -0.4 -0.5596 -1.0 3557496 ACon1_000653 CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@@]2(O)C(=CC(=O)CC2(C)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A16 compound treatment 1.02 0.0124 0.36 1.008 0.0105 0.31 0.4746 0.9974 3554158 ACon1_000654 CCC(C)C1NC(=O)c2c1n(C)c3ccccc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A17 compound treatment 1.023 0.0154 0.45 1.005 0.00753 0.22 0.4733 0.9483 3558190 ACon1_000655 C[C@H]1[C@@]2(O)[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@@]32C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@@]71CCC(C)CO7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A18 compound treatment 1.026 0.0184 0.53 1.014 0.0165 0.49 0.7229 0.999 3554284 ACon1_000656 CCCCCCC1OC(=O)CCCC(O)/C=C\C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A19 compound treatment 1.029 0.0214 0.62 1.023 0.0255 0.75 0.9725 0.9953 3551961 ACon1_000657 C/C(=C\C(=O)OC1C(=CC=C(C=O)C1(C)C)C)/CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A20 compound treatment 1.004 -0.00358 -0.1 0.985 -0.0125 -0.37 -0.334 -0.8721 3558454 ACon1_000658 CC1CCC23CCC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C13C(=CC2(C)C)C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A21 compound treatment 1.023 0.0154 0.45 1.004 0.00653 0.19 0.4524 0.9297 3558413 ACon1_000659 C[C@]1(O)CC[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A22 compound treatment 1.031 0.0234 0.68 1.017 0.0195 0.58 0.888 0.9968 3553177 ACon1_000660 CC(=C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)/C(=C\[C@H]3OC(=O)C(=C)C31)/COC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A23 compound treatment 1.014 0.00642 0.19 1.002 0.00453 0.13 0.2262 0.987 3558349 ACon1_000661 CCC(C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC(=O)CC(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 A24 compound treatment 1.005 -0.00258 -0.07 1.014 0.0165 0.49 0.2928 0.5922 3559855 ACon1_000662 CC/C=C\C=C\C(O)C/C=C\CCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B01 compound treatment 0.966 -0.0416 -1.2 0.955 -0.0425 -1.26 -1.7393 -0.9998 3558522 ACon1_000663 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3C[C@H](O)[C@@](C)(O)[C@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B02 compound treatment 0.996 -0.0116 -0.34 0.981 -0.0165 -0.49 -0.5814 -0.9834 3558331 ACon1_000664 CC1OC(OC2C(O)C(O)COC2OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)O)C3(C)CO)C(O)C(OC8OCC(OC(=O)C)C(OC(=O)C)C8O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B03 compound treatment 1.006 -0.00158 -0.05 1.005 0.00753 0.22 0.1251 0.5505 3558658 ACon1_000665 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C(=C)C)[C@@](C)(O)C(=O)[C@H]3O[C@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B04 compound treatment 0.989 -0.0186 -0.54 0.982 -0.0155 -0.46 -0.7038 -0.9967 3557543 ACon1_000666 CC(OC1OC(CO)C(O)C(O)C1O)/C=C/C2(O)C(C)CC(O)CC2(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B05 compound treatment 1.0 -0.00758 -0.22 0.992 -0.00547 -0.16 -0.2695 -0.9887 3558677 ACon1_000667 C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]3(C)[C@H](CCC4=CCOC4=O)C(=C)CC[C@H]13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B06 compound treatment 1.026 0.0184 0.53 1.007 0.00953 0.28 0.5765 0.9555 3559891 ACon1_000668 CC(CO[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)C3(O)COC(=O)C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B07 compound treatment 0.989 -0.0186 -0.54 0.98 -0.0175 -0.52 -0.7457 -0.9998 3558735 ACon1_000669 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(=O)OC3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B08 compound treatment 1.0 -0.00758 -0.22 0.981 -0.0165 -0.49 -0.4995 -0.9352 3557836 ACon1_000670 COc1cc(/C=C/C(=O)O[C@@H]2[C@@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)O[C@@H](OCCc4ccc(O)c(O)c4)[C@H](O)[C@H]2O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B09 compound treatment 1.002 -0.00558 -0.16 0.99 -0.00747 -0.22 -0.2704 -0.9882 3558686 ACon1_000671 COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)cc(OC)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B10 compound treatment 1.052 0.0444 1.29 1.031 0.0335 0.99 1.6107 0.9917 1417265 ACon1_000672 OC1CCn2c1nc3ccccc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B11 compound treatment 0.993 -0.0146 -0.42 0.995 -0.00247 -0.07 -0.3501 -0.8172 3557345 ACon1_000673 CC(=O)c1c(O)cc(O)c(C(=O)C)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B12 compound treatment 1.021 0.0134 0.39 1.005 0.00753 0.22 0.4323 0.965 3558110 ACon1_000674 COc1cc(/C=C/c2ccccc2)cc(O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B13 mock treatment 0.979 -0.0286 -0.83 0.975 -0.0225 -0.66 -1.055 -0.9941 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B14 mock treatment 0.993 -0.0146 -0.42 0.972 -0.0255 -0.75 -0.831 -0.9626 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B15 compound treatment 1.017 0.00942 0.27 0.993 -0.00447 -0.13 0.0995 0.3283 3559744 ACon1_000675 CC(CCO)CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CCC[C@@]12C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B16 compound treatment 1.027 0.0194 0.56 1.01 0.0125 0.37 0.6597 0.9795 3553396 ACon1_000676 CC(=O)OCC1(C)CC2[C@]3(CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O)[C@@H](O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B17 compound treatment 1.023 0.0154 0.45 1.005 0.00753 0.22 0.4733 0.9483 3489715 ACon1_000677 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC7OC(CO)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B18 compound treatment 1.014 0.00642 0.19 0.996 -0.00147 -0.04 0.1008 0.5278 3557359 ACon1_000678 CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n4c1nc5ccccc5c4=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B19 compound treatment 1.047 0.0394 1.14 1.04 0.0425 1.26 1.6965 0.9988 3558569 ACon1_000679 CC1=C(CCC2=CC(O)OC2=O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B20 compound treatment 1.033 0.0254 0.74 1.014 0.0165 0.49 0.8662 0.9802 3557575 ACon1_000680 OCCc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B21 compound treatment 1.022 0.0144 0.42 0.996 -0.00147 -0.04 0.2646 0.6302 3557374 ACon1_000681 C/C=C/C=C/C1C=CC2CC(C)CCC2C1(C)\C(=C/3\C(=O)NC(C(C)O)C3=O)\O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B22 compound treatment 1.01 0.00242 0.07 0.987 -0.0105 -0.31 -0.1693 -0.5334 3558646 ACon1_000682 CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B23 compound treatment 1.019 0.0114 0.33 1.0 0.00253 0.07 0.2868 0.8457 3558270 ACon1_000683 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 B24 compound treatment 1.023 0.0154 0.45 1.003 0.00553 0.16 0.4315 0.9071 3558889 ACon1_000684 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)OC7OC(CO)C(O)C(O)C7O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1OC8OC(CO)C(O)C(O)C8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C01 compound treatment 1.024 0.0164 0.48 1.018 0.0205 0.61 0.7655 0.9927 3558360 ACon1_000685 COC(=O)[C@]1(C)CC[C@H](OC(=O)C)[C@@]2(C)C1C[C@@H](OC(=O)C)C3=C2CC[C@](C)(C=C)[C@@H]3OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C02 compound treatment 1.051 0.0434 1.26 1.038 0.0405 1.2 1.7366 0.9997 3558319 ACon1_000686 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c6ccc(=O)oc6)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C03 compound treatment 1.058 0.0504 1.46 1.047 0.0495 1.46 2.0681 1.0 3558457 ACon1_000687 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C04 compound treatment 1.067 0.0594 1.72 1.057 0.0595 1.76 2.4614 0.9999 3553465 ACon1_000688 CC(C)(O)[C@@H]1CC[C@]2(CO)[C@@H](O)CC[C@](C)(O)[C@H]2[C@@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C05 compound treatment 1.035 0.0274 0.79 1.026 0.0285 0.84 1.158 0.9995 3558579 ACon1_000689 COc1cc2OC(CC(=O)c2c(O)c1OC)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C06 compound treatment 1.083 0.0754 2.18 1.059 0.0615 1.82 2.8309 0.9959 3554662 ACon1_000690 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C07 compound treatment 1.044 0.0364 1.05 1.027 0.0295 0.87 1.3633 0.9956 3558617 ACon1_000691 COC(=O)C1=COC(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OCCc4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C08 compound treatment 1.019 0.0114 0.33 1.011 0.0135 0.4 0.5168 0.9955 3559200 ACon1_000692 COc1cc2occ(c3ccc4OCOc4c3)c(=O)c2c(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C09 compound treatment 1.042 0.0344 1.0 1.03 0.0325 0.96 1.385 0.9998 3554819 ACon1_000693 COc1cc(=O)oc(/C(=C/C(=C/C(=C/C2(C)OC(C)C3(C)OC32)/C)/C)/C)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C10 compound treatment 1.029 0.0214 0.62 1.024 0.0265 0.78 0.9934 0.9933 3558246 ACon1_000694 CC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C11 mock treatment 1.008 4.22E-4 0.01 0.999 0.00153 0.05 0.0407 0.8669 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C12 mock treatment 1.022 0.0144 0.42 1.015 0.0175 0.52 0.6619 0.9943 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C13 compound treatment 1.034 0.0264 0.77 1.031 0.0335 0.99 1.2421 0.9918 3558047 ACon1_000695 COc1cc(CCO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C14 compound treatment 1.027 0.0194 0.56 1.019 0.0215 0.64 0.8479 0.9981 3614417 ACon1_000696 COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)c2c(O)c3c(=O)oc(C)cc3cc2OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C15 mock treatment 1.02 0.0124 0.36 1.008 0.0105 0.31 0.4746 0.9974 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C16 mock treatment 1.001 -0.00658 -0.19 0.991 -0.00647 -0.19 -0.2699 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C17 compound treatment 1.024 0.0164 0.48 1.014 0.0165 0.49 0.6819 0.9999 3558236 ACon1_000697 CC(C)C1(CC12)C(=O)CC2(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C18 compound treatment 1.026 0.0184 0.53 1.021 0.0235 0.7 0.8692 0.9914 3557265 ACon1_000698 CC(=CCC/C(=C/CC/C(=C/Cc1c(C)cc(O)cc1O)/C)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C19 compound treatment 1.067 0.0594 1.72 1.061 0.0635 1.88 2.5451 0.999 3558297 ACon1_000699 CC(C)c1cc2CCC3C(C)(C)CCC[C@]3(C(=O)O)c2cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C20 compound treatment 1.037 0.0294 0.85 1.035 0.0375 1.11 1.3872 0.9915 3558260 ACon1_000700 CC(C)C(O)(C(C)O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C21 compound treatment 1.027 0.0194 0.56 1.025 0.0275 0.81 0.9733 0.9837 3558324 ACon1_000701 CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C22 compound treatment 1.1 0.0924 2.68 1.061 0.0635 1.88 3.2209 0.985 3558258 ACon1_000702 C[C@H](O)C1=CC2(CC[C@H]3[C@@H]2[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C23 compound treatment 1.048 0.0404 1.17 1.038 0.0405 1.2 1.6751 0.9999 3555893 ACon1_000703 OC[C@H]1O[C@@H](Oc2cc(C(=O)O)c(O)c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 C24 compound treatment 1.1 0.0924 2.68 1.082 0.0845 2.5 3.6599 0.9994 3557293 ACon1_000704 COC(=O)c1cccc2oc3cc(CO)cc(O)c3c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D01 compound treatment 1.015 0.00742 0.21 1.009 0.0115 0.34 0.3931 0.9753 3557722 ACon1_000705 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D02 compound treatment 1.021 0.0134 0.39 1.007 0.00953 0.28 0.4741 0.9875 3553508 ACon1_000706 CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)/C=C/[C@@](C)(O)C(=O)[C@@]2(O)[C@H](OC(=O)C)[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]2[C@H]3OC(=O)CC[C@]31OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D03 compound treatment 1.028 0.0204 0.59 1.018 0.0205 0.61 0.8474 0.9999 3558643 ACon1_000707 COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c4c(cc(=O)oc4c1)c5ccc(O)c(O)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D04 compound treatment 1.05 0.0424 1.23 1.03 0.0325 0.96 1.5488 0.9927 1279467 ACon1_000708 COC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D05 compound treatment 1.015 0.00742 0.21 1.001 0.00353 0.1 0.2258 0.945 3614423 ACon1_000709 COC(=O)C1=CC=CC(CC(O)C(=O)O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D06 compound treatment 1.022 0.0144 0.42 1.007 0.00953 0.28 0.4946 0.9817 3558535 ACon1_000710 C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D07 compound treatment 1.033 0.0254 0.74 1.023 0.0255 0.75 1.0544 0.9999 3614426 ACon1_000711 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C5OC5C(=O)C4(C)C3C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D08 compound treatment 1.048 0.0404 1.17 1.026 0.0285 0.84 1.4243 0.9871 3554252 ACon1_000712 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D09 compound treatment 1.009 0.00142 0.04 1.0 0.00253 0.07 0.082 0.9604 3558720 ACon1_000713 COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D10 compound treatment 1.004 -0.00358 -0.1 0.993 -0.00447 -0.13 -0.1667 -0.9928 3554771 ACon1_000714 COc1c(O)ccc2C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4cc(C)cc(O)c4C(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D11 mock treatment 1.013 0.00542 0.16 1.01 0.0125 0.37 0.373 0.927 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D12 mock treatment 1.02 0.0124 0.36 1.007 0.00953 0.28 0.4536 0.9927 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D13 compound treatment 1.02 0.0124 0.36 1.013 0.0155 0.46 0.5791 0.9927 3614428 ACon1_000715 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D14 compound treatment 1.022 0.0144 0.42 1.013 0.0155 0.46 0.62 0.9989 3553648 ACon1_000716 CC(C)CC1NC(=O)C2CCCN2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D15 mock treatment 1.014 0.00642 0.19 0.989 -0.00847 -0.25 -0.0455 -0.146 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D16 mock treatment 1.02 0.0124 0.36 1.013 0.0155 0.46 0.5791 0.9927 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D17 compound treatment 1.157 0.149 4.33 1.131 0.134 3.95 5.8516 0.999 3558202 ACon1_000717 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)C)[C@H]1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D18 compound treatment 1.037 0.0294 0.85 1.015 0.0175 0.52 0.969 0.9716 3558526 ACon1_000718 COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D19 compound treatment 1.039 0.0314 0.91 1.021 0.0235 0.7 1.1354 0.9912 3614429 ACon1_000719 COc1cccc2oc3OC=C(CO)C=C(C(=O)O)c3c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D20 compound treatment 1.029 0.0214 0.62 1.014 0.0165 0.49 0.7843 0.993 3558603 ACon1_000720 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D21 compound treatment 1.036 0.0284 0.82 1.024 0.0265 0.78 1.1367 0.9997 3614430 ACon1_000721 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCC4=CC(=O)OC4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D22 compound treatment 1.059 0.0514 1.49 1.042 0.0445 1.32 1.984 0.9981 3558751 ACon1_000722 COc1ccc(cc1OC)[C@@H]2O[C@H]([C@@H](C)[C@@H]2C)c3ccc(OC)c(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D23 compound treatment 1.107 0.0994 2.88 1.082 0.0845 2.5 3.8032 0.9975 3554692 ACon1_000723 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](OC(=O)CC5\C(=C\C)\C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C5C(=O)OC)[C@@H](O)[C@@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 D24 compound treatment 1.037 0.0294 0.85 1.023 0.0255 0.75 1.1363 0.9982 3554061 ACon1_000724 CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E01 mock treatment 1.029 0.0214 0.62 1.021 0.0235 0.7 0.9306 0.9984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E02 mock treatment 1.019 0.0114 0.33 1.016 0.0185 0.55 0.6213 0.9708 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E03 compound treatment 1.032 0.0244 0.71 1.017 0.0195 0.58 0.9084 0.9949 3558404 ACon1_000725 CC(C)c1ccc2c(CCC3[C@@](C)(CCC[C@@]32C)C(=O)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E04 compound treatment 1.027 0.0194 0.56 1.017 0.0195 0.58 0.8061 0.9999 3558499 ACon1_000726 OCC1OC(Oc2ccc(/C=C/C(=O)OC3COC(OCC4OC(OC(C#N)c5ccccc5)C(O)C(O)C4O)C(O)C3O)cc2)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E05 compound treatment 1.026 0.0184 0.53 1.018 0.0205 0.61 0.8065 0.9979 3558134 ACon1_000727 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E06 compound treatment 1.07 0.0624 1.81 1.059 0.0615 1.82 2.5647 1.0 2082654 ACon1_000728 COc1ccc(cc1OC)c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E07 compound treatment 1.042 0.0344 1.0 1.033 0.0355 1.05 1.4477 0.9997 3557964 ACon1_000729 CC(=O)OC1C(O)C(O)C(CO)OC1Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E08 compound treatment 1.035 0.0274 0.79 1.03 0.0325 0.96 1.2417 0.9955 3614436 ACon1_000730 COc1ccc(cc1)c2coc3c(CC=C(C)C)c(O)c(OC)cc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E09 mock treatment 1.021 0.0134 0.39 1.005 0.00753 0.22 0.4323 0.965 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E10 mock treatment 1.013 0.00542 0.16 1.019 0.0215 0.64 0.5612 0.8559 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E11 compound treatment 1.006 -0.00158 -0.05 1.003 0.00553 0.16 0.0833 0.4907 1102884 ACon1_000731 Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E12 compound treatment 1.098 0.0904 2.62 1.091 0.0935 2.77 3.8071 0.9996 3614439 ACon1_000732 Cc1cc(O)c(C)c2OC(=O)c3c(C)cc(O)c(C)c3Oc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E13 compound treatment 1.045 0.0374 1.08 1.027 0.0295 0.87 1.3837 0.9943 3558045 ACon1_000733 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)/C=C/c2ccccc2)[C@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E14 compound treatment 1.018 0.0104 0.3 1.081 0.0835 2.47 1.9598 0.7877 3557896 ACon1_000734 CC1OC(OCC2OC(Oc3cc(O)c4c(=O)c(coc4c3)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1OC6OC(CO)C(O)C(O)C6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E15 compound treatment 1.011 0.00342 0.1 1.005 0.00753 0.22 0.2275 0.9335 3555889 ACon1_000735 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C/C(=C\CC2)/C=O)[C@H](OC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E16 compound treatment 1.04 0.0324 0.94 1.034 0.0365 1.08 1.4277 0.9976 3557786 ACon1_000736 CC1(C)[C@@H](O)C(=O)C[C@@]2(C)C1CC[C@@]3(C)O[C@](C)(CCC32)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E17 mock treatment 1.01 0.00242 0.07 1.007 0.00953 0.28 0.2489 0.857 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E18 mock treatment 1.012 0.00442 0.13 1.005 0.00753 0.22 0.248 0.9655 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E19 compound treatment 1.049 0.0414 1.2 1.045 0.0475 1.41 1.842 0.9969 3558389 ACon1_000737 CC(C)C1CC=C(C)C(O)CCC(=C)CC1OC2OC(COC(=O)C)C(O)C(O)C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E20 compound treatment 1.03 0.0224 0.65 1.022 0.0245 0.73 0.972 0.9985 3558256 ACon1_000738 OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E21 compound treatment 1.036 0.0284 0.82 1.029 0.0315 0.93 1.2412 0.9981 3558369 ACon1_000739 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E22 compound treatment 1.023 0.0154 0.45 1.015 0.0175 0.52 0.6823 0.9973 3558332 ACon1_000740 Oc1ccc(cc1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E23 compound treatment 1.062 0.0544 1.58 1.04 0.0425 1.26 2.0036 0.9937 3558345 ACon1_000741 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](OC(=O)C)[C@@H]2OC(=O)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 E24 compound treatment 1.021 0.0134 0.39 1.022 0.0245 0.73 0.7877 0.9573 3557578 ACon1_000742 OCC1OC(C(O)C(O)C1O)c2c(O)cc3oc(cc(=O)c3c2O)c4ccc(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F01 mock treatment 1.019 0.0114 0.33 1.013 0.0155 0.46 0.5586 0.987 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F02 mock treatment 1.008 4.22E-4 0.01 1.002 0.00453 0.13 0.1034 0.7684 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F03 compound treatment 1.049 0.0414 1.2 1.026 0.0285 0.84 1.4447 0.9852 3558651 ACon1_000743 C[C@@H]1C[C@@H](O)C2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc3ccoc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F04 compound treatment 1.009 0.00142 0.04 1.0 0.00253 0.07 0.082 0.9604 3614448 ACon1_000744 COC(CC(OC)c1c(O)cc2cc(C)oc(=O)c2c1O)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F05 compound treatment 1.024 0.0164 0.48 1.014 0.0165 0.49 0.6819 0.9999 3552924 ACon1_000745 C[C@H](CCC(=C)[C@@H](C)C(=O)O)[C@H]1CCC2(C)C3=C(C[C@H](O)[C@]12C)[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)C4CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F06 compound treatment 1.014 0.00642 0.19 1.001 0.00353 0.1 0.2053 0.9627 3554676 ACon1_000746 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCCc3ccc(OC(=O)C[C@H]4\C(=C/C)\[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4C(=O)OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F07 compound treatment 1.018 0.0104 0.3 1.011 0.0135 0.4 0.4963 0.9903 3554523 ACon1_000747 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)\C(=C/C)\C)C1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F08 compound treatment 1.02 0.0124 0.36 1.012 0.0145 0.43 0.5582 0.9961 3558636 ACon1_000748 CC(O)CCC1=CC[C@H]2OC(=O)C(=C)[C@@H]2CC1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F09 mock treatment 1.026 0.0184 0.53 1.018 0.0205 0.61 0.8065 0.9979 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F10 mock treatment 1.025 0.0174 0.5 1.001 0.00353 0.1 0.4306 0.8357 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F11 compound treatment 1.051 0.0434 1.26 1.033 0.0355 1.05 1.632 0.996 3558527 ACon1_000749 COc1ccc2ccc(=O)oc2c1C(OC(=O)C)C(=O)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F12 compound treatment 1.077 0.0694 2.01 1.061 0.0635 1.88 2.7499 0.9994 3558182 ACon1_000750 C/C=C(\C)/C(=O)O[C@H]1[C@H](OC(=O)C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]6O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@]43C)C2CC1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F13 compound treatment 1.067 0.0594 1.72 1.05 0.0525 1.55 2.3151 0.9987 3559736 ACon1_000751 CC(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]3[C@@H](OC(=O)C=C(C)C)[C@H](O)C[C@H](C)[C@@]13C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F14 compound treatment 1.059 0.0514 1.49 1.042 0.0445 1.32 1.984 0.9981 3553501 ACon1_000752 CC(C)[C@]1(O)CC2=CC[C@H](OC1=O)/C(=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](C2)OC(=O)/C(=C/CO)/CO)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F15 compound treatment 1.032 0.0244 0.71 1.022 0.0245 0.73 1.013 0.9999 3559723 ACon1_000753 C/C(=C\CO)/C(=O)O[C@@H]1C\C(=C\CC[C@@]2(CO)OC2[C@H]3OC(=O)C(=C)C31)\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F16 compound treatment 1.031 0.0234 0.68 1.011 0.0135 0.4 0.7625 0.9683 3558093 ACon1_000754 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(C)[C@H](CC[C@]5(O)C4CC=C3C2)C(=O)C)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F17 mock treatment 1.035 0.0274 0.79 1.022 0.0245 0.73 1.0744 0.999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F18 mock treatment 1.031 0.0234 0.68 1.019 0.0215 0.64 0.9298 0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F19 compound treatment 1.029 0.0214 0.62 1.024 0.0265 0.78 0.9934 0.9933 3554275 ACon1_000755 CCCCCC1=C(O)/C(=C/C(=O)O)/OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F20 compound treatment 1.04 0.0324 0.94 1.026 0.0285 0.84 1.2604 0.9986 3558634 ACon1_000756 CCC(C)(O)CC(=O)O[C@H]/1C[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3O[C@]3(C)CC\C=C1/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F21 compound treatment 1.034 0.0264 0.77 1.018 0.0205 0.61 0.9703 0.9934 3614460 ACon1_000757 CCC(C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)C(C)(OC(=O)C)C(=O)C2=CN1CCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F22 compound treatment 1.041 0.0334 0.97 1.027 0.0295 0.87 1.3018 0.9987 3555003 ACon1_000758 COc1cc(oc(=O)c1)c2c(C)cc(O)cc2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F23 compound treatment 1.078 0.0704 2.04 1.042 0.0445 1.32 2.3731 0.9776 3557852 ACon1_000759 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 F24 compound treatment 1.038 0.0304 0.88 1.027 0.0295 0.87 1.2404 1.0 3558059 ACon1_000760 COc1ccc(cc1)C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](OC5OCC(O)(CO)C5O)[C@H](O)[C@H]4O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G01 compound treatment 1.036 0.0284 0.82 1.016 0.0185 0.55 0.9695 0.9804 3558424 ACon1_000761 COc1ccc(cc1)c2coc3c(OC)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC5OCC(O)C(O)C5O)c3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G02 compound treatment 1.015 0.00742 0.21 1.002 0.00453 0.13 0.2467 0.9741 3558440 ACon1_000762 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H](C(=C)CO)[C@@](C)(C[C@@H]2O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G03 mock treatment 1.001 -0.00658 -0.19 0.991 -0.00647 -0.19 -0.2699 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G04 mock treatment 1.015 0.00742 0.21 1.007 0.00953 0.28 0.3513 0.9911 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G05 compound treatment 0.99 -0.0176 -0.51 0.993 -0.00447 -0.13 -0.4534 -0.8621 3552674 ACon1_000763 C[C@@H]1CC(=O)[C@]2(COC(=O)C)[C@H](CC[C@H](O)[C@@]32CO3)[C@]41C[C@H](OC4=O)c5ccoc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G06 compound treatment 1.138 0.13 3.78 1.108 0.111 3.27 4.9816 0.9974 3557361 ACon1_000764 COc1cc(OC)c2c(=O)oc(CC(O)CC(=O)C)cc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G07 compound treatment 1.04 0.0324 0.94 1.034 0.0365 1.08 1.4277 0.9976 1080935 ACon1_000765 Cc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G08 compound treatment 0.998 -0.00958 -0.28 0.991 -0.00647 -0.19 -0.3314 -0.9835 3614466 ACon1_000766 COc1cc(O)c-2c(CCc3cc(OC)c(OC)cc32)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G09 compound treatment 1.018 0.0104 0.3 1.013 0.0155 0.46 0.5381 0.9793 3557989 ACon1_000767 CC(C)(O)C1Oc2cc3occ(c4ccc(O)cc4)c(=O)c3c(O)c2C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G10 compound treatment 1.031 0.0234 0.68 1.022 0.0245 0.73 0.9925 0.9994 3559169 ACon1_000768 COc1ccc(cc1)C(O)CNC(=O)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G11 compound treatment 1.002 -0.00558 -0.16 0.998 5.31E-4 0.02 -0.1031 -0.6354 3558069 ACon1_000769 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C)[C@H]3CCC(CO)[C@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G12 compound treatment 1.092 0.0844 2.44 1.084 0.0865 2.56 3.5379 0.9997 3555309 ACon1_000770 COc1cccc2C(=O)OC(c21)c3ccc4C(O)C(C)CC(=O)c4c3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G13 compound treatment 1.02 0.0124 0.36 1.012 0.0145 0.43 0.5582 0.9961 3558151 ACon1_000771 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C/C(=C\CC2)/C=O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G14 compound treatment 1.029 0.0214 0.62 1.04 0.0425 1.26 1.3279 0.947 3557929 ACon1_000772 C[C@@]12C[C@@H](O)[C@@H]3C[C@@]2(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3(COC(=O)c5ccccc5)C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G15 compound treatment 1.013 0.00542 0.16 1.003 0.00553 0.16 0.2267 0.9998 3558123 ACon1_000773 COc1ccc(/C=C/C(=O)O[C@]2(C)CCC3[C@@H]2[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G16 compound treatment 1.044 0.0364 1.05 1.042 0.0445 1.32 1.6769 0.994 3557915 ACon1_000774 COc1c(OC2OC(CO)C(O)C(O)C2O)ccc(O)c1C(=O)OCc3ccccc3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G17 compound treatment 1.026 0.0184 0.53 1.026 0.0285 0.84 0.9737 0.9756 3614471 ACon1_000775 COc1cc(/C=C/C(=O)NCC(O)c2ccc(O)cc2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G18 compound treatment 1.005 -0.00258 -0.07 1.002 0.00453 0.13 0.0419 0.2734 3558265 ACon1_000776 COc1ccc(cc1)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G19 mock treatment 1.034 0.0264 0.77 1.028 0.0305 0.9 1.1794 0.9966 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G20 mock treatment 1.014 0.00642 0.19 1.007 0.00953 0.28 0.3308 0.9797 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G21 compound treatment 1.022 0.0144 0.42 1.016 0.0185 0.55 0.6828 0.991 3558300 ACon1_000777 CC(CO)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CCC(=O)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G22 compound treatment 0.993 -0.0146 -0.42 0.994 -0.00347 -0.1 -0.3711 -0.854 1047948 ACon1_000778 COc1cc(cc(OC)c1OC)C2OCC3C(OCC23)c4cc(OC)c(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G23 compound treatment 1.051 0.0434 1.26 1.045 0.0475 1.41 1.8829 0.9985 3558322 ACon1_000779 CC(C)c1cc2C(O)C[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 G24 compound treatment 1.011 0.00342 0.1 1.012 0.0145 0.43 0.3739 0.8479 3558519 ACon1_000780 OCC1C(O)CC2C1C(=O)OCC2=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H01 compound treatment 0.992 -0.0156 -0.45 0.978 -0.0195 -0.58 -0.726 -0.9927 3614474 ACon1_000781 COc1c2C(=O)OCc2c(C)c3OC4(C)CC(O)C5(O)C(C)(CCC(=O)OC5(C)C)C4Cc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H02 compound treatment 1.009 0.00142 0.04 0.991 -0.00647 -0.19 -0.1061 -0.5424 3558708 ACon1_000782 C[C@@H]/1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C(=C)C)[C@@](C)(O)C(=O)/C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H03 mock treatment 1.016 0.00842 0.24 1.003 0.00553 0.16 0.2881 0.9811 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H04 mock treatment 0.998 -0.00958 -0.28 0.982 -0.0155 -0.46 -0.5195 -0.9713 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H05 compound treatment 1.058 0.0504 1.46 1.03 0.0325 0.96 1.7127 0.9795 3552202 ACon1_000783 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(O)C3=CCOC3=O)C(=C)CC[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H06 compound treatment 1.024 0.0164 0.48 1.008 0.0105 0.31 0.5565 0.9789 3558285 ACon1_000784 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)C4CC[C@]23C)O[C@@]%101CCC(C)CO%10 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H07 compound treatment 1.039 0.0314 0.91 1.026 0.0285 0.84 1.24 0.9993 3558479 ACon1_000785 C[C@@]1(CCC2=C(C1)C(=O)CC3[C@@](C)(CCC[C@@]32C)C(=O)O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H08 compound treatment 1.007 -5.78E-4 -0.02 0.996 -0.00147 -0.04 -0.0425 -0.9141 3553528 ACon1_000786 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(CO)C(C1)OC(=O)C(C)C)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H09 compound treatment 1.001 -0.00658 -0.19 0.996 -0.00147 -0.04 -0.1654 -0.8466 3558737 ACon1_000787 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H10 compound treatment 1.001 -0.00658 -0.19 0.992 -0.00547 -0.16 -0.249 -0.9967 3559235 ACon1_000788 CC1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C2(C)C)C(O)C(O)C1OC9OCC(O)(COC%10OCC(O)C(OC%11OCC(OC%12OCC(O)(CO)C%12O)C(O)C%11O)C%10O)C9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H11 compound treatment 1.01 0.00242 0.07 1.001 0.00353 0.1 0.1234 0.9813 3557942 ACon1_000789 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC/C(=C\C(=O)O)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H12 compound treatment 1.027 0.0194 0.56 1.023 0.0255 0.75 0.9315 0.9895 3552656 ACon1_000790 C[C@@H]1C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)c3ccccc3)[C@@H]4[C@@H](OC(=O)C)[C@]12OC4(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H13 compound treatment 1.023 0.0154 0.45 1.016 0.0185 0.55 0.7032 0.9949 1712662 ACon1_000791 COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H14 compound treatment 1.02 0.0124 0.36 1.013 0.0155 0.46 0.5791 0.9927 3557252 ACon1_000792 CC1CCC2C(C)(C)[C@@H](O)CC[C@]2(C)C31Cc4c(O3)c5CN(C(CCC(=O)O)C(=O)O)C(=O)c5cc4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H15 compound treatment 1.029 0.0214 0.62 1.026 0.0285 0.84 1.0352 0.9886 3559760 ACon1_000793 COc1cc(OC)c2c(=O)c(OC)c(oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H16 compound treatment 1.009 0.00142 0.04 0.996 -0.00147 -0.04 -0.0016 -0.0265 3558095 ACon1_000794 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](OC(=O)C)[C@@H](OC(=O)/C(=C/C)/C)[C@]5(C)[C@H](CC[C@]5(O)[C@]4(O)CC=C3C2)C(=O)C)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H17 compound treatment 1.015 0.00742 0.21 1.007 0.00953 0.28 0.3513 0.9911 3557608 ACon1_000795 COC(=O)C1=CCC[C@@H]2[C@@]3(CC(OC3=O)c4ccoc4)[C@H](C)CC[C@]21C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H18 compound treatment 1.037 0.0294 0.85 1.023 0.0255 0.75 1.1363 0.9982 3558016 ACon1_000796 COc1c(oc2c(OC)c(O)cc(O)c2c1=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H19 mock treatment 1.019 0.0114 0.33 1.012 0.0145 0.43 0.5377 0.9917 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H20 mock treatment 1.028 0.0204 0.59 1.014 0.0165 0.49 0.7638 0.9955 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H21 compound treatment 1.002 -0.00558 -0.16 0.995 -0.00247 -0.07 -0.1658 -0.9355 3558356 ACon1_000797 CCC1C2O[C@H]3OC=C([C@H]4C=C[C@]2(OC1=O)[C@@H]34)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H22 compound treatment 1.029 0.0214 0.62 1.013 0.0155 0.46 0.7634 0.989 3558238 ACon1_000798 CC(O)(C=C)C(O)CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H23 compound treatment 1.032 0.0244 0.71 1.017 0.0195 0.58 0.9084 0.9949 3553600 ACon1_000799 CC(C)C1NC(=O)/C(=C/c2nc[nH]c2C(C)(C)C=C)/NC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 H24 compound treatment 1.026 0.0184 0.53 1.008 0.0105 0.31 0.5974 0.9671 3558108 ACon1_000800 CC1(C)[C@H]2C[C@@H]1C(=CC2)CO[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I01 compound treatment 1.006 -0.00158 -0.05 0.983 -0.0145 -0.43 -0.3348 -0.7782 3558341 ACon1_000801 COC(=O)C1=C[C@@H](O)[C@@H](O)[C@@H](C1)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I02 compound treatment 1.019 0.0114 0.33 1.002 0.00453 0.13 0.3286 0.9208 3558497 ACon1_000802 CC1=CC(=O)C2=C(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4[C@H](OC(=O)C4=C)[C@@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I03 compound treatment 0.993 -0.0146 -0.42 0.987 -0.0105 -0.31 -0.5174 -0.9884 3558461 ACon1_000803 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(=O)C)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I04 compound treatment 0.991 -0.0166 -0.48 0.979 -0.0185 -0.55 -0.7256 -0.9979 3558501 ACon1_000804 CC(OC1OC(CO)C(O)C(O)C1O)C2C(O)CC3C4CCC5=CC(=O)CCC5(C)C4CCC23C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I05 mock treatment 0.986 -0.0216 -0.62 0.972 -0.0255 -0.75 -0.9743 -0.9957 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I06 mock treatment 0.993 -0.0146 -0.42 0.985 -0.0125 -0.37 -0.5592 -0.9977 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I07 compound treatment 1.025 0.0174 0.5 1.001 0.00353 0.1 0.4306 0.8357 3557857 ACon1_000805 COc1c2ccoc2c(OC)c3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I08 compound treatment 1.014 0.00642 0.19 0.999 0.00153 0.05 0.1635 0.8543 3614493 ACon1_000806 COc1cc(O)c2c(=O)cc(oc2c1OC)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I09 compound treatment 1.036 0.0284 0.82 1.017 0.0195 0.58 0.9904 0.985 3557926 ACon1_000807 CC1(C)C2CC(OC3OC(CO)C(O)C(O)C3O)C1(C)CC2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I10 compound treatment 0.995 -0.0126 -0.36 0.995 -0.00247 -0.07 -0.3092 -0.8323 3558796 ACon1_000808 COc1cc(O)c(OC)c2OC(CC(=O)c12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I11 compound treatment 1.003 -0.00458 -0.13 0.98 -0.0175 -0.52 -0.459 -0.8607 3558071 ACon1_000809 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c3ccc(O)cc3)[C@H]4CCC(CO)[C@H]41 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I12 compound treatment 0.986 -0.0216 -0.62 0.972 -0.0255 -0.75 -0.9743 -0.9957 2084711 ACon1_000810 CC(=CCc1c(O)ccc2ccc(=O)oc12)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I13 compound treatment 1.028 0.0204 0.59 0.998 5.31E-4 0.02 0.4293 0.7256 3558138 ACon1_000811 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)/C=C/c5ccc(O)cc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I14 compound treatment 0.989 -0.0186 -0.54 0.982 -0.0155 -0.46 -0.7038 -0.9967 3555622 ACon1_000812 O[C@H]1[C@@H](O)[C@H](OC(=O)Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(=O)Cc3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I15 compound treatment 1.057 0.0494 1.43 1.036 0.0385 1.14 1.8176 0.9936 3558149 ACon1_000813 OC[C@H]1O[C@@H](OC/C/2=C\[C@H]3OC(=O)C(=C)[C@@H]3[C@@H]4C/C(=C\CC2)/C(=O)O4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I16 compound treatment 1.002 -0.00558 -0.16 0.986 -0.0115 -0.34 -0.354 -0.9425 3557723 ACon1_000814 CC1[C@@H]2CC/C(=C/CC/C(=C/[C@H]2OC1=O)/C)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I17 compound treatment 1.014 0.00642 0.19 0.997 -4.69E-4 -0.01 0.1217 0.6526 3558279 ACon1_000815 C/C(=C\CCC(O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/CCC(C)(O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I18 compound treatment 1.007 -5.78E-4 -0.02 1.001 0.00353 0.1 0.062 0.5862 3558214 ACon1_000816 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I19 compound treatment 1.024 0.0164 0.48 1.024 0.0265 0.78 0.891 0.9713 3614503 ACon1_000817 CC1OC(=O)CC2C(=CC3(O)CC(C)(C)CC213)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I20 compound treatment 1.005 -0.00258 -0.07 1.001 0.00353 0.1 0.021 0.1638 1072848 ACon1_000818 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I21 mock treatment 0.998 -0.00958 -0.28 0.988 -0.00947 -0.28 -0.3941 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I22 mock treatment 0.996 -0.0116 -0.34 0.982 -0.0155 -0.46 -0.5605 -0.9884 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I23 compound treatment 1.011 0.00342 0.1 1.008 0.0105 0.31 0.2902 0.8883 3554830 ACon1_000819 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 I24 compound treatment 0.998 -0.00958 -0.28 0.999 0.00153 0.05 -0.1641 -0.584 3558502 ACon1_000820 COc1cc2OCOc2cc1c3coc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc4c3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J01 compound treatment 0.989 -0.0186 -0.54 0.981 -0.0165 -0.49 -0.7248 -0.9988 3553370 ACon1_000821 CC(=O)OC[C@@]12C[C@H](O)C(=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]1(C)[C@@]43CO4)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J02 compound treatment 0.989 -0.0186 -0.54 0.985 -0.0125 -0.37 -0.6411 -0.983 3558605 ACon1_000822 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J03 compound treatment 0.993 -0.0146 -0.42 0.984 -0.0135 -0.4 -0.5801 -0.9996 3558664 ACon1_000823 CC(C(=O)O)[C@@]12CC[C@H](C)[C@H](CCC(=O)O)C(C)C2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J04 compound treatment 0.996 -0.0116 -0.34 0.981 -0.0165 -0.49 -0.5814 -0.9834 3559918 ACon1_000824 CC(=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J05 mock treatment 1.005 -0.00258 -0.07 0.99 -0.00747 -0.22 -0.2089 -0.8963 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J06 mock treatment 0.995 -0.0126 -0.36 0.977 -0.0205 -0.61 -0.6855 -0.9705 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J07 compound treatment 1.01 0.00242 0.07 1.004 0.00653 0.19 0.1861 0.906 3558736 ACon1_000825 CC1CCC2(C)C(CCC=C2C(=O)O)C1(C)CCC3=CC(O)OC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J08 compound treatment 1.013 0.00542 0.16 0.999 0.00153 0.05 0.143 0.8753 3558372 ACon1_000826 CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J09 compound treatment 0.986 -0.0216 -0.62 0.977 -0.0205 -0.61 -0.8698 -0.9999 3558673 ACon1_000827 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c(=O)cc(oc3c1OC)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J10 compound treatment 1.019 0.0114 0.33 1.003 0.00553 0.16 0.3495 0.9473 3553747 ACon1_000828 CC(O)C(C)CC/C=C(\C)/C(O)C/C=C(\C)/C=C/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J11 compound treatment 0.989 -0.0186 -0.54 0.983 -0.0145 -0.43 -0.6829 -0.9935 3614508 ACon1_000829 COc1cc(oc(=O)c1C)/C(=C/C(C)CCCC(=O)O)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J12 compound treatment 1.009 0.00142 0.04 0.989 -0.00847 -0.25 -0.1479 -0.583 3554483 ACon1_000830 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J13 compound treatment 1.013 0.00542 0.16 1.002 0.00453 0.13 0.2058 0.9969 3559771 ACon1_000831 COc1ccc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J14 compound treatment 1.003 -0.00458 -0.13 0.974 -0.0235 -0.69 -0.5844 -0.8273 3557886 ACon1_000832 COc1cc(CCCO)cc2C(CO)C(Oc21)c3ccc(OC)c(OC4OC(CO)C(O)C(O)C4O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J15 compound treatment 1.013 0.00542 0.16 0.998 5.31E-4 0.02 0.1221 0.774 3559738 ACon1_000833 COC1=CC(C)c2c(C)c3c(C)coc3c(OC)c2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J16 compound treatment 1.021 0.0134 0.39 0.991 -0.00647 -0.19 0.1396 0.3223 3558192 ACon1_000834 C[C@H]1[C@H]2[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]6O)O[C@@]91CCC(C)CO9 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J17 compound treatment 1.0 -0.00758 -0.22 0.985 -0.0125 -0.37 -0.4159 -0.9693 3558487 ACon1_000835 CC1=C2[C@H](O)C(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J18 compound treatment 1.017 0.00942 0.27 0.994 -0.00347 -0.1 0.1204 0.4131 3553097 ACon1_000836 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO[C@H]6OC[C@](O)(CO)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J19 compound treatment 1.016 0.00842 0.24 0.997 -4.69E-4 -0.01 0.1627 0.6659 3614518 ACon1_000837 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J20 compound treatment 1.015 0.00742 0.21 0.997 -4.69E-4 -0.01 0.1422 0.6601 3558583 ACon1_000838 C/C=C(/C)\C(=O)OC1C(=C)C2CC31CCC4[C@](C)(CCC[C@]4(C)C3CC2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J21 mock treatment 0.999 -0.00858 -0.25 0.988 -0.00947 -0.28 -0.3736 -0.9982 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J22 mock treatment 1.006 -0.00158 -0.05 0.991 -0.00647 -0.19 -0.1676 -0.8521 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J23 compound treatment 1.014 0.00642 0.19 1.007 0.00953 0.28 0.3308 0.9797 3558317 ACon1_000839 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)C5CC[C@]6(C)[C@H](CC[C@]6(O)[C@@H]5CCC4=C3)c7ccc(=O)oc7)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 J24 compound treatment 1.021 0.0134 0.39 1.001 0.00353 0.1 0.3487 0.8663 3614523 ACon1_000840 COC1C(=O)Nc2ccc3C=CC(C)(CCC=C(C)C)Oc3c2C1(O)c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K01 compound treatment 1.048 0.0404 1.17 1.017 0.0195 0.58 1.2361 0.947 3558362 ACon1_000841 CC(=CCC/C(=C/C(O)C/C(=C/C(O)CC(C)(O)C=C)/C)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K02 compound treatment 1.004 -0.00358 -0.1 0.991 -0.00647 -0.19 -0.2085 -0.9586 3558452 ACon1_000842 COc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K03 compound treatment 1.033 0.0254 0.74 1.006 0.00853 0.25 0.699 0.8981 3558557 ACon1_000843 C/C(=C/COc1c(OC2OC(CO)C(O)C(O)C2O)ccc3ccc(=O)oc13)/CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K04 compound treatment 1.177 0.169 4.91 1.131 0.134 3.95 6.2611 0.9942 3558485 ACon1_000844 CC1[C@H]2C[C@@H]3[C@@H](CC[C@@]3(C)O)C(=C)CC2OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K05 compound treatment 1.01 0.00242 0.07 0.994 -0.00347 -0.1 -0.0229 -0.1845 3557306 ACon1_000845 CC1=CC2O[C@@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(C53CO5)[C@@]2(CO)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K06 compound treatment 1.009 0.00142 0.04 1.002 0.00453 0.13 0.1239 0.8836 3614529 ACon1_000846 COc1ccc2C(=O)[C@]3(O)[C@@H](COc4cc5OCOc5cc43)Oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K07 mock treatment 1.03 0.0224 0.65 1.018 0.0205 0.61 0.8884 0.9994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K08 mock treatment 1.018 0.0104 0.3 1.016 0.0185 0.55 0.6008 0.9605 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K09 compound treatment 1.047 0.0394 1.14 1.034 0.0365 1.08 1.571 0.9996 3558035 ACon1_000847 CC1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C(CO)C(O)CC31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K10 compound treatment 1.006 -0.00158 -0.05 1.003 0.00553 0.16 0.0833 0.4907 3554481 ACon1_000848 CN1C(=O)[C@@]2(Cc3ccccc3)SSS[C@]1(CO)C(=O)N2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K11 compound treatment 1.009 0.00142 0.04 0.996 -0.00147 -0.04 -0.0016 -0.0265 3614533 ACon1_000849 CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K12 compound treatment 1.014 0.00642 0.19 1.001 0.00353 0.1 0.2053 0.9627 3558064 ACon1_000850 COc1cc2oc(cc(=O)c2c(O)c1OC)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K13 compound treatment 1.029 0.0214 0.62 1.01 0.0125 0.37 0.7007 0.9696 3558118 ACon1_000851 COc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc(O)c3c(=O)cc(oc13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K14 compound treatment 0.99 -0.0176 -0.51 0.99 -0.00747 -0.22 -0.5161 -0.9301 3557898 ACon1_000852 C[C@@H]1O[C@@H](O[C@@H]2[C@H](Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K15 mock treatment 0.989 -0.0186 -0.54 0.982 -0.0155 -0.46 -0.7038 -0.9967 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K16 mock treatment 1.006 -0.00158 -0.05 1.004 0.00653 0.19 0.1042 0.5252 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K17 compound treatment 0.999 -0.00858 -0.25 0.998 5.31E-4 0.02 -0.1646 -0.6611 3558293 ACon1_000853 CC(C)c1cc2CCC3C(C)(CO)C[C@H](O)C[C@]3(C)c2cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K18 compound treatment 0.993 -0.0146 -0.42 0.994 -0.00347 -0.1 -0.3711 -0.854 3558216 ACon1_000854 CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(=CC2=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K19 compound treatment 1.036 0.0284 0.82 1.029 0.0315 0.93 1.2412 0.9981 3553957 ACon1_000855 CC1C(OC(=O)C)C(OC(=O)C)C2=C(CCCC2(C)C)C1(C)CCC(C)(O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K20 compound treatment 1.007 -5.78E-4 -0.02 1.015 0.0175 0.52 0.3547 0.6839 3558262 ACon1_000856 CC(C)C(O)(C(=O)C)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K21 compound treatment 1.007 -5.78E-4 -0.02 1.0 0.00253 0.07 0.0411 0.5357 3558329 ACon1_000857 COc1c(O)cc(CCc2cc(O)cc(O)c2)cc1CC(O)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K22 compound treatment 1.004 -0.00358 -0.1 1.012 0.0145 0.43 0.2305 0.5216 3553545 ACon1_000858 CC(C)C(OC(=O)C)c1nc2ccccc2c(=O)n1C3CC4(OC3=O)C5N(O)C(C)(C)C(=O)N5c6ccccc64 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K23 mock treatment 0.996 -0.0116 -0.34 0.99 -0.00747 -0.22 -0.3932 -0.9795 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 K24 mock treatment 1.007 -5.78E-4 -0.02 1.001 0.00353 0.1 0.062 0.5862 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L01 compound treatment 1.099 0.0914 2.65 1.035 0.0375 1.11 2.6568 0.9255 3552660 ACon1_000859 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C)[C@@](C)(O)C(=O)[C@H]3O[C@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L02 compound treatment 1.045 0.0374 1.08 1.017 0.0195 0.58 1.1747 0.9566 3558654 ACon1_000860 COc1cc(/C=C/C(=O)CC(=O)\C=C\c2ccc(O)c(O)c2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L03 compound treatment 1.005 -0.00258 -0.07 0.995 -0.00247 -0.07 -0.1044 -0.9999 3558666 ACon1_000861 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(=C)[C@H]1CCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L04 compound treatment 1.027 0.0194 0.56 1.01 0.0125 0.37 0.6597 0.9795 3559920 ACon1_000862 CC(=CCc1c(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L05 compound treatment 1.006 -0.00158 -0.05 1.007 0.00953 0.28 0.1669 0.5848 3558706 ACon1_000863 CC1C2C3=CCC4C5(C)C[C@@H](O)[C@H](O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L06 compound treatment 1.012 0.00442 0.13 0.998 5.31E-4 0.02 0.1017 0.7879 3558287 ACon1_000864 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)O[C@@]%111CCC(C)CO%11 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L07 mock treatment 1.03 0.0224 0.65 1.012 0.0145 0.43 0.763 0.9799 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L08 mock treatment 1.022 0.0144 0.42 1.009 0.0115 0.34 0.5364 0.9949 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L09 compound treatment 1.006 -0.00158 -0.05 0.995 -0.00247 -0.07 -0.0839 -0.9746 3552042 ACon1_000865 C/C=C(\C)/CC(/C=C(\C)/C(O)C(C)/C=C(\C)/C(O)C(C)/C=C/C(O)C/C=C/C(O)C(O)C(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L10 compound treatment 1.019 0.0114 0.33 0.998 5.31E-4 0.02 0.245 0.7398 3558492 ACon1_000866 COc1cc(CC2COC(C2COC(=O)C)c3ccc(O)c(OC)c3)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L11 compound treatment 1.004 -0.00358 -0.1 0.992 -0.00547 -0.16 -0.1876 -0.9769 3614544 ACon1_000867 CC1CCC/C=C/2\C3C(OC(=C3C(=O)O1)\C=C\C=C\C=C\C(=O)O)C=CC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L12 compound treatment 1.008 4.22E-4 0.01 0.99 -0.00747 -0.22 -0.1475 -0.667 3554712 ACon1_000868 COC(=O)c1cc(OC)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L13 compound treatment 0.927 -0.0806 -2.33 0.927 -0.0705 -2.08 -3.1234 -0.9984 3559773 ACon1_000869 COc1cc(/C=C/2\Oc3cc(O)cc(O)c3C2=O)cc(OC)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L14 compound treatment 0.993 -0.0146 -0.42 0.983 -0.0145 -0.43 -0.601 -1.0 3558463 ACon1_000870 CC(C)c1cc2C3OC(=O)[C@@]4(CCCC(C)(C)C4[C@H]3O)c2c(O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L15 mock treatment 1.008 4.22E-4 0.01 1.006 0.00853 0.25 0.187 0.7405 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L16 mock treatment 1.0 -0.00758 -0.22 0.985 -0.0125 -0.37 -0.4159 -0.9693 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L17 compound treatment 1.01 0.00242 0.07 1.019 0.0215 0.64 0.4997 0.7803 3555854 ACon1_000871 OC(=O)CCC1OC(=O)C(=C1c2ccccc2)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L18 compound treatment 1.03 0.0224 0.65 1.018 0.0205 0.61 0.8884 0.9994 3553101 ACon1_000872 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/[C@H](C/C=C(\C)/C[C@@H]2O)OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]4C[C@H](O[C@@H]5O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=C)[C@@H]4C3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L19 compound treatment 1.109 0.101 2.94 1.083 0.0855 2.53 3.8651 0.9972 3614554 ACon1_000873 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L20 compound treatment 1.012 0.00442 0.13 1.002 0.00453 0.13 0.1853 0.9997 3558638 ACon1_000874 C/C=C(/C)\C(=O)O[C@H]\1C[C@@H]2[C@H](OC(=O)C2=C)[C@@H]3O[C@]3(C)CC/C=C1\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L21 compound treatment 0.992 -0.0156 -0.45 0.981 -0.0165 -0.49 -0.6633 -0.9993 3554505 ACon1_000875 CO[C@@H]1C[C@]2(CC=C)[C@@H](C)[C@@H](OC2=C(OC)C1=O)c3cc4OCOc4c(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L22 compound treatment 1.019 0.0114 0.33 1.01 0.0125 0.37 0.4959 0.9984 3558750 ACon1_000876 CC(=CCCC(=CCCC(=CC1C(O)C=C(C)C1=O)C)C(=O)O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L23 mock treatment 1.021 0.0134 0.39 1.01 0.0125 0.37 0.5368 0.9997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 L24 mock treatment 1.021 0.0134 0.39 1.003 0.00553 0.16 0.3905 0.926 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M01 compound treatment 1.024 0.0164 0.48 1.003 0.00553 0.16 0.4519 0.8986 2112282 ACon1_000877 CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M02 compound treatment 1.033 0.0254 0.74 1.011 0.0135 0.4 0.8035 0.9589 3558453 ACon1_000878 COc1cc(ccc1O)c2cc(=O)c3c(O)c(OC)c(OC)c(O)c3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M03 compound treatment 0.989 -0.0186 -0.54 0.975 -0.0225 -0.66 -0.8502 -0.9945 3558587 ACon1_000879 COc1cc(C[C@@H]2COC([C@@H]2CO)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)ccc1O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M04 compound treatment 1.001 -0.00658 -0.19 0.991 -0.00647 -0.19 -0.2699 -1.0 3554680 ACon1_000880 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/[C@@H]1CC(=O)OCC(C3CCC(C)C3C(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M05 compound treatment 1.013 0.00542 0.16 0.994 -0.00347 -0.1 0.0385 0.2053 3553941 ACon1_000881 CC1=CC2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)(C43CO4)[C@@]2(CO)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M06 compound treatment 0.992 -0.0156 -0.45 0.989 -0.00847 -0.25 -0.4961 -0.9614 3559292 ACon1_000882 CO[C@H]1C[C@@H](Oc2c(CC=C(C)C)c(OC)cc(OC)c12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M07 compound treatment 1.01 0.00242 0.07 1.0 0.00253 0.07 0.1025 0.9995 3557952 ACon1_000883 COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M08 compound treatment 1.041 0.0334 0.97 1.034 0.0365 1.08 1.4482 0.9985 3554197 ACon1_000884 CCC1(C)C(O)C2=COC(=C(C)C2=CC1=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M09 mock treatment 0.995 -0.0126 -0.36 0.983 -0.0145 -0.43 -0.5601 -0.9968 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M10 mock treatment 0.972 -0.0356 -1.03 0.973 -0.0245 -0.72 -1.2401 -0.985 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M11 compound treatment 0.999 -0.00858 -0.25 0.99 -0.00747 -0.22 -0.3318 -0.9983 3553758 ACon1_000885 CC(O)CCCC1Cc2cccc(O)c2C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M12 compound treatment 0.984 -0.0236 -0.68 0.968 -0.0295 -0.87 -1.0989 -0.9927 3554988 ACon1_000886 COc1cc(O)c2c(=O)oc3c(O)c(OC)cc(C)c3c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M13 mock treatment 0.993 -0.0146 -0.42 0.969 -0.0285 -0.84 -0.8937 -0.9491 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M14 mock treatment 0.982 -0.0256 -0.74 0.975 -0.0225 -0.66 -0.9935 -0.9985 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M15 compound treatment 1.01 0.00242 0.07 0.989 -0.00847 -0.25 -0.1275 -0.4902 3614568 ACon1_000887 CC1OC(OC(=O)C2=CC3CC(C)(C)CC34C2CC(=O)OC4C)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M16 compound treatment 0.948 -0.0596 -1.73 0.952 -0.0455 -1.34 -2.1707 -0.9924 3557904 ACon1_000888 Cc1c(O[C@@H]2O[C@H](COC(=O)CC(C)(O)CC(=O)O)C[C@H](O)[C@H]2O)occc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M17 compound treatment 1.021 0.0134 0.39 1.003 0.00553 0.16 0.3905 0.926 3554555 ACon1_000889 COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC(OC(=O)C)C3=C2CC(OC(=O)C)[C@](C)(C=C)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M18 compound treatment 0.986 -0.0216 -0.62 0.984 -0.0135 -0.4 -0.7235 -0.9763 3557955 ACon1_000890 CC(O)CCCCCCCCCC(Cc1cc(O)cc(O)c1)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M19 compound treatment 0.987 -0.0206 -0.6 0.975 -0.0225 -0.66 -0.8911 -0.9985 3558411 ACon1_000891 C[C@]1(O)CC[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M20 compound treatment 0.987 -0.0206 -0.6 0.981 -0.0165 -0.49 -0.7657 -0.995 3554267 ACon1_000892 CCCCCC(O)C1OC(=O)CCC(O)C(O)/C=C/C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M21 compound treatment 0.999 -0.00858 -0.25 0.995 -0.00247 -0.07 -0.2273 -0.8778 3558351 ACon1_000893 Cc1cc(O)c2C(=O)c3c(O)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M22 compound treatment 1.015 0.00742 0.21 1.011 0.0135 0.4 0.4349 0.9576 3552748 ACon1_000894 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](Oc4ccc5c(=O)c(coc5c4)c6ccc(O)cc6)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M23 compound treatment 1.036 0.0284 0.82 1.021 0.0235 0.7 1.074 0.9965 3558422 ACon1_000895 CC(=O)OC1C(=C)C2C[C@]31CCC4[C@@](C)(CCC[C@@]4(C)C3CC2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 M24 compound treatment 1.007 -5.78E-4 -0.02 1.01 0.0125 0.37 0.2501 0.6745 3558504 ACon1_000896 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]3[C@@H](C[C@H](O)C3=C)C(=C)C[C@@H]2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N01 compound treatment 1.021 0.0134 0.39 1.0 0.00253 0.07 0.3278 0.828 3555900 ACon1_000897 OC[C@H]1O[C@@H](Oc2cc(O)cc3oc(=O)cc(c4ccc(O)c(O)c4)c23)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N02 compound treatment 0.997 -0.0106 -0.31 0.984 -0.0135 -0.4 -0.4982 -0.9916 3614577 ACon1_000898 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1O)C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N03 compound treatment 0.99 -0.0176 -0.51 0.982 -0.0155 -0.46 -0.6834 -0.9986 3558675 ACon1_000899 COc1ccccc1c2cc(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(OC)c(OC)c3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N04 compound treatment 0.985 -0.0226 -0.65 0.979 -0.0185 -0.55 -0.8485 -0.996 3559922 ACon1_000900 CC(=CCc1c(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)C[C@H](Oc13)c4ccc(O)cc4)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N05 compound treatment 0.988 -0.0196 -0.57 0.977 -0.0205 -0.61 -0.8289 -0.9995 3614580 ACon1_000901 CC1=CCC2C(C)(CO)CCCC2(C)C1CC34OC4C(O)C(=CC3O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N06 compound treatment 1.006 -0.00158 -0.05 0.984 -0.0135 -0.4 -0.3139 -0.7831 3558417 ACon1_000902 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](OC(=O)C)[C@@H]2OC(=O)\C=C\c7ccc(OC)cc7)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N07 compound treatment 0.991 -0.0166 -0.48 0.989 -0.00847 -0.25 -0.5165 -0.9539 3557311 ACon1_000903 CC(C)CCC(O)C1CC(CO)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N08 compound treatment 1.005 -0.00258 -0.07 0.993 -0.00447 -0.13 -0.1462 -0.9635 3558683 ACon1_000904 CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N09 mock treatment 0.992 -0.0156 -0.45 0.986 -0.0115 -0.34 -0.5588 -0.9901 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N10 mock treatment 0.988 -0.0196 -0.57 0.976 -0.0215 -0.63 -0.8498 -0.9984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N11 compound treatment 0.989 -0.0186 -0.54 0.976 -0.0215 -0.63 -0.8293 -0.9966 3614587 ACon1_000905 CC1CCC/C=C/C/C=C\C(OC(=O)/C=C\C=C\C=C\C(=O)O)/C=C/C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N12 compound treatment 0.993 -0.0146 -0.42 0.981 -0.0165 -0.49 -0.6428 -0.9975 3558740 ACon1_000906 COc1ccc(cc1)c2oc3cc(OC)cc(O)c3c(=O)c2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N13 mock treatment 0.991 -0.0166 -0.48 0.979 -0.0185 -0.55 -0.7256 -0.9979 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N14 mock treatment 0.989 -0.0186 -0.54 0.97 -0.0275 -0.81 -0.9547 -0.98 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N15 compound treatment 0.987 -0.0206 -0.6 0.975 -0.0225 -0.66 -0.8911 -0.9985 3559368 ACon1_000907 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(CO)C5CCC43C)C12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N16 compound treatment 1.018 0.0104 0.3 0.994 -0.00347 -0.1 0.1409 0.442 3552752 ACon1_000908 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4C[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)c6ccc(=O)oc6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N17 compound treatment 1.005 -0.00258 -0.07 0.995 -0.00247 -0.07 -0.1044 -0.9999 3553640 ACon1_000909 CC(C)Cc1cnc(CCC(=O)N)c(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N18 compound treatment 1.005 -0.00258 -0.07 0.989 -0.00847 -0.25 -0.2298 -0.8797 3558595 ACon1_000910 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N19 compound treatment 1.001 -0.00658 -0.19 0.988 -0.00947 -0.28 -0.3327 -0.9824 3614597 ACon1_000911 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(OC(=O)C)C2CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N20 compound treatment 0.988 -0.0196 -0.57 0.972 -0.0255 -0.75 -0.9334 -0.9902 3558712 ACon1_000912 CC(C)C(=O)OC/C(=C/CCC(=C)C1CC=C(COC(=O)C(C)C)C(O)C1)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N21 compound treatment 0.991 -0.0166 -0.48 0.976 -0.0215 -0.63 -0.7883 -0.9905 3614600 ACon1_000913 CC(CCO)/C=C(\C)/C=C/C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N22 compound treatment 0.996 -0.0116 -0.34 0.981 -0.0165 -0.49 -0.5814 -0.9834 3559260 ACon1_000914 CC1OC(OC2C(O)C(CO)OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OCC(OC9OCC(O)C(O)C9O)C(O)C8O)C3(C)C)C2O)C(O)C(OC%10OCC(O)(CO)C%10O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N23 compound treatment 1.012 0.00442 0.13 0.994 -0.00347 -0.1 0.018 0.1099 3558089 ACon1_000915 COC1CC(O[C@H]2CC[C@]3(C)C4[C@H](O)[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)C4CC=C3C2)[C@H](C)O)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 N24 compound treatment 1.049 0.0414 1.2 1.002 0.00453 0.13 0.943 0.7812 3557301 ACon1_000916 CC(OC(=O)c1cccc(O)c1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O01 compound treatment 1.037 0.0294 0.85 1.029 0.0315 0.93 1.2617 0.999 3557296 ACon1_000917 C[C@@H]1Cc2c(O)c(O)cc(O)c2C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O02 compound treatment 1.091 0.0834 2.42 1.072 0.0745 2.2 3.2665 0.9989 3497202 ACon1_000918 CC(=CCO)CCC1C(C)(O)CCC2C(C)(C)CCCC12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O03 compound treatment 1.024 0.0164 0.48 1.006 0.00853 0.25 0.5147 0.956 3558589 ACon1_000919 CSC(=O)OCC1=C[C@H](O)[C@H]2[C@@H]1[C@H](OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O04 compound treatment 1.036 0.0284 0.82 1.03 0.0325 0.96 1.2621 0.997 3558219 ACon1_000920 C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC/C(=C/CO)/CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O05 compound treatment 1.003 -0.00458 -0.13 0.994 -0.00347 -0.1 -0.1663 -0.9919 1045397 ACon1_000921 COc1ccc(cc1OC)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O06 compound treatment 1.01 0.00242 0.07 1.009 0.0115 0.34 0.2907 0.8351 1046376 ACon1_000922 COc1c(O)c2c(=O)cc(oc2c(OC)c1OC)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O07 compound treatment 0.998 -0.00958 -0.28 0.989 -0.00847 -0.25 -0.3732 -0.9987 3557981 ACon1_000923 OC[C@H]1O[C@@H](OC2OC=C(C3CCC(=C)C32)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O08 compound treatment 1.029 0.0214 0.62 1.031 0.0335 0.99 1.1397 0.9745 3554706 ACon1_000924 COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O09 compound treatment 1.029 0.0214 0.62 1.02 0.0225 0.67 0.9097 0.9994 3551984 ACon1_000925 C/C(=C\OC(=O)/C=C/c1ccc(O)cc1)/C(O)C2OC(=O)/C(=C\COC3OC(CO)C(O)C(O)C3O)/C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O10 compound treatment 0.984 -0.0236 -0.68 0.981 -0.0165 -0.49 -0.8271 -0.9863 3558809 ACon1_000926 CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O11 mock treatment 0.995 -0.0126 -0.36 0.987 -0.0105 -0.31 -0.4764 -0.9967 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O12 mock treatment 1.011 0.00342 0.1 1.009 0.0115 0.34 0.3112 0.8764 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O13 compound treatment 1.019 0.0114 0.33 1.012 0.0145 0.43 0.5377 0.9917 3553125 ACon1_000927 C[C@H]1CC(O)C23COC(=O)[C@@H]3CCC[C@@H]2[C@]41C[C@H](OC4=O)c5ccoc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O14 compound treatment 1.055 0.0474 1.37 1.049 0.0515 1.52 2.0485 0.9987 3557917 ACon1_000928 C[C@]1(C[C@]2(O)O[C@@H]3O1)[C@]4(C[C@@H]2C34COC(=O)c5ccccc5)O[C@@H]6O[C@H](COC(=O)c7ccccc7)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O15 compound treatment 1.011 0.00342 0.1 1.004 0.00653 0.19 0.2066 0.952 3555917 ACon1_000929 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3oc4c(O)c(O)ccc4c(=O)c3c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O16 compound treatment 1.083 0.0754 2.18 1.091 0.0935 2.77 3.4999 0.9932 3557831 ACon1_000930 CC1OC(OC2C(O)C(O)C(Oc3cc(O)c4c(=O)c(coc4c3)c5ccc(O)c(O)c5)OC2CO)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O17 compound treatment 1.042 0.0344 1.0 1.044 0.0465 1.38 1.6777 0.9875 3557287 ACon1_000931 CCCC1CCC(C(=C)C(=O)O)C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O18 compound treatment 1.001 -0.00658 -0.19 0.994 -0.00347 -0.1 -0.2072 -0.9578 3558352 ACon1_000932 C[C@]12C[C@H](OC(=O)C(=C)C(O)CO)[C@@H]3[C@H](OC(=O)C3=C)C2C(CC[C@H]1O)C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O19 compound treatment 1.039 0.0314 0.91 1.029 0.0315 0.93 1.3027 0.9999 1062453 ACon1_000933 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O20 compound treatment 1.01 0.00242 0.07 1.013 0.0155 0.46 0.3743 0.8058 3557279 ACon1_000934 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3cc(OC)cc(OC)c3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O21 compound treatment 1.005 -0.00258 -0.07 0.999 0.00153 0.05 -0.0208 -0.238 3558330 ACon1_000935 CC(C)(O)C1Cc2cc(CCc3cc(O)cc(O)c3)ccc2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O22 compound treatment 1.012 0.00442 0.13 1.009 0.0115 0.34 0.3316 0.9106 3553357 ACon1_000936 CC(=O)OC/C/1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O23 compound treatment 1.041 0.0334 0.97 1.027 0.0295 0.87 1.3018 0.9987 3558425 ACon1_000937 COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 O24 compound treatment 1.022 0.0144 0.42 1.016 0.0185 0.55 0.6828 0.991 3555971 ACon1_000938 OCCC(CO)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P01 compound treatment 1.012 0.00442 0.13 1.015 0.0175 0.52 0.4571 0.8561 3558656 ACon1_000939 C[C@@H]/1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)[C@@H](OC(=O)C)[C@@](C)(O)C(=O)/C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P02 compound treatment 1.027 0.0194 0.56 1.02 0.0225 0.67 0.8688 0.9965 3558684 ACon1_000940 CC(=O)OC1CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P03 compound treatment 1.004 -0.00358 -0.1 1.0 0.00253 0.07 -0.0204 -0.1592 3558685 ACon1_000941 CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P04 compound treatment 1.041 0.0334 0.97 1.025 0.0275 0.81 1.26 0.9963 3554701 ACon1_000942 COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P05 compound treatment 0.997 -0.0106 -0.31 0.985 -0.0125 -0.37 -0.4773 -0.9958 3614622 ACon1_000943 CC1=CCC2C(C)(CCCC2(C)C1CC34OC4C(O)C(=C)C(O)C3O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P06 compound treatment 1.018 0.0104 0.3 0.996 -0.00147 -0.04 0.1827 0.5992 3558470 ACon1_000944 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2C1)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P07 compound treatment 1.025 0.0174 0.5 1.011 0.0135 0.4 0.6397 0.9934 3553189 ACon1_000945 CC(=CCC/C(=C\CC\C(=C\CC\C(=C\CO)\CO)\C)/C(=O)O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P08 compound treatment 1.022 0.0144 0.42 1.01 0.0125 0.37 0.5573 0.9982 3554753 ACon1_000946 COc1c(C)cc(C(=O)/C=C/c2ccccc2)c(O)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P09 compound treatment 1.01 0.00242 0.07 1.005 0.00753 0.22 0.207 0.8869 3552709 ACon1_000947 C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)/C=C/C(=C/Cc2c(O)c(Cl)c(C)c(C=O)c2O)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P10 compound treatment 1.02 0.0124 0.36 1.002 0.00453 0.13 0.3491 0.9094 3558180 ACon1_000948 COc1cc(CCCO)cc2[C@@H](CO)[C@@H](Oc21)c3ccc(OC)c(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P11 mock treatment 1.005 -0.00258 -0.07 1.001 0.00353 0.1 0.021 0.1638 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P12 mock treatment 1.009 0.00142 0.04 0.992 -0.00547 -0.16 -0.0852 -0.5107 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P13 compound treatment 1.035 0.0274 0.79 1.017 0.0195 0.58 0.9699 0.9877 3553333 ACon1_000949 CC(=O)O[C@@H]1C[C@](C)(C=C)C=C2[C@H](O)CC3C(C)(C)CC[C@@H](OC(=O)C)[C@]3(C)C12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P14 compound treatment 1.02 0.0124 0.36 1.004 0.00653 0.19 0.3909 0.9575 3558552 ACon1_000950 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P15 compound treatment 1.009 0.00142 0.04 1.009 0.0115 0.34 0.2702 0.7868 3559386 ACon1_000951 CC(C)C(O)CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P16 compound treatment 1.046 0.0384 1.11 1.031 0.0335 0.99 1.4878 0.9983 3558472 ACon1_000952 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@]43C)C(=O)O)C2C1)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P17 compound treatment 1.039 0.0314 0.91 1.034 0.0365 1.08 1.4072 0.9964 3558567 ACon1_000953 CC1=C(CCC2=CC(=O)OC2O)[C@@]3(C)CCC[C@@]4(C)[C@@H]3C(OC4=O)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P18 compound treatment 1.024 0.0164 0.48 1.013 0.0155 0.46 0.661 0.9998 3558599 ACon1_000954 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(O[C@H]7OC[C@](O)(CO)[C@H]7O)C(O)C6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P19 compound treatment 1.014 0.00642 0.19 1.008 0.0105 0.31 0.3517 0.9697 3614634 ACon1_000955 CC(C)C1NC(=O)C(CC2(O)C3NC(Cc4ccccc4)C(=O)N3c5ccccc52)NC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P20 compound treatment 1.074 0.0664 1.92 1.063 0.0655 1.94 2.7302 1.0 3551644 ACon1_000956 CC1Oc2c3C=CC(C)(C)Oc3c4c(cc(=O)oc4c2C(=O)C1C)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P21 compound treatment 1.024 0.0164 0.48 1.016 0.0185 0.55 0.7237 0.9975 3554485 ACon1_000957 CN1C(=O)c2ccccc2NC(=O)[C@@]31O[C@@H]3c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P22 compound treatment 1.034 0.0264 0.77 1.018 0.0205 0.61 0.9703 0.9934 3554963 ACon1_000958 COc1cc(O)c(C(=O)O)c(c1)c2c(C)cc(oc2=O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P23 compound treatment 1.046 0.0384 1.11 1.035 0.0375 1.11 1.5715 1.0 3558309 ACon1_000959 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2292 P24 compound treatment 1.041 0.0334 0.97 1.029 0.0315 0.93 1.3436 0.9998 3557994 ACon1_000960 C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)C)[C@@]3(COC(=O)C)[C@H](C[C@@H]4[C@@H](OC(=O)c5ccccc5)[C@]13OC4(C)C)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A01 compound treatment 0.999 0.00116 0.03 1.001 0.00273 0.08 0.0808 0.9239 3554483 ACon1_000961 CN1C(=O)C23CC4=CC=CC(OC(=O)C)C4N3C(=O)C1(CO)SS2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A02 compound treatment 0.973 -0.0248 -0.72 0.975 -0.0233 -0.69 -0.9952 -0.9997 3554004 ACon1_000962 CC1CC23OC3(/C=C(/C)\C(O)C(O)C4C(C(O)C(C)C2=O)C4(C)C)C1OC5OC(CO)C(O)C(O)C5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A03 compound treatment 1.007 0.00916 0.27 0.987 -0.0113 -0.33 -0.048 -0.1128 3614644 ACon1_000963 CC(C)CC1NC(=O)C23C1C(=CC(O)C3/C=C/CCC4OC4(C)C(O)CC2=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A04 compound treatment 0.999 0.00116 0.03 1.0 0.00173 0.05 0.0599 0.9787 3558783 ACon1_000964 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A05 compound treatment 0.986 -0.0118 -0.34 0.987 -0.0113 -0.33 -0.4781 -0.9999 3553738 ACon1_000965 CC(O)(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C(=O)O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A06 compound treatment 0.982 -0.0158 -0.46 0.98 -0.0183 -0.54 -0.7063 -0.9967 3558578 ACon1_000966 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A07 compound treatment 0.976 -0.0218 -0.63 0.976 -0.0223 -0.66 -0.9128 -0.9998 3558828 ACon1_000967 C/C/1=C\CCC2=CC(OC2=O)C(C)(C)/C=C\C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A08 compound treatment 0.997 -8.44E-4 -0.02 0.99 -0.00827 -0.24 -0.1901 -0.774 3554998 ACon1_000968 COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CCC45OC56CC=C(C7=CC(=O)OC7)[C@@]6(C)CCC43)C2)OC(C)C1O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A09 compound treatment 0.995 -0.00284 -0.08 0.987 -0.0113 -0.33 -0.2938 -0.8562 3558621 ACon1_000969 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A10 compound treatment 0.547 -0.451 -13.06 0.608 -0.39 -11.54 -17.3916 -0.9981 3558846 ACon1_000970 C/C(=C\CC[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CCC(=O)C(C)(C)C4CC3)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A11 compound treatment 0.854 -0.144 -4.17 0.862 -0.136 -4.03 -5.7945 -0.9999 3614654 ACon1_000971 CC(O)CC(=O)c1cc(O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A12 compound treatment 0.993 -0.00484 -0.14 0.985 -0.0133 -0.39 -0.3765 -0.9039 3553484 ACon1_000972 CC(C)(OO)C1=C[C@]23CCC4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A13 mock treatment 0.991 -0.00684 -0.2 0.973 -0.0253 -0.75 -0.6684 -0.8648 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A14 mock treatment 0.984 -0.0138 -0.4 0.99 -0.00827 -0.24 -0.4563 -0.9718 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A15 compound treatment 1.003 0.00516 0.15 1.007 0.00873 0.26 0.2882 0.9661 3558823 ACon1_000973 CC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)OC4C5OC5(C)C6C(OC7OC(CO)C(O)C(O)C7O)OC=CC46O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A16 compound treatment 0.979 -0.0188 -0.55 0.983 -0.0153 -0.45 -0.705 -0.9955 3558930 ACon1_000974 OC1CCC(O)C(O)(C1O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A17 compound treatment 0.996 -0.00184 -0.05 0.992 -0.00627 -0.19 -0.1687 -0.8753 3558444 ACon1_000975 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A18 compound treatment 0.992 -0.00584 -0.17 0.999 7.34E-4 0.02 -0.1043 -0.6114 3558953 ACon1_000976 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A19 compound treatment 1.001 0.00316 0.09 1.003 0.00473 0.14 0.1636 0.9787 1113957 ACon1_000977 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A20 compound treatment 1.023 0.0252 0.73 1.031 0.0327 0.97 1.1995 0.9902 3558990 ACon1_000978 CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A21 compound treatment 1.003 0.00516 0.15 1.001 0.00273 0.08 0.1628 0.9585 3558623 ACon1_000979 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A22 compound treatment 0.997 -8.44E-4 -0.02 0.997 -0.00127 -0.04 -0.0437 -0.9787 3558955 ACon1_000980 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A23 compound treatment 0.999 0.00116 0.03 1.004 0.00573 0.17 0.1436 0.8307 3554993 ACon1_000981 COc1cc(O)cc(c1)C2=C(C)CC(O)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 A24 compound treatment 0.995 -0.00284 -0.08 1.003 0.00473 0.14 0.0407 0.2509 3552069 ACon1_000982 C/C=C/C=C/C(=O)C1=C(O)[C@]2(C)C3C(=C(O)C4(C)C1[C@]5(C)O[C@@]4(O)[C@@]3(C)O[C@@]52O)C(=O)\C=C\C=C\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B01 compound treatment 0.989 -0.00884 -0.26 0.99 -0.00827 -0.24 -0.3539 -0.9997 3558240 ACon1_000983 C[C@@H]1O[C@@H](Oc2ccc3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B02 compound treatment 1.043 0.0452 1.31 1.033 0.0347 1.03 1.6509 0.9928 3554879 ACon1_000984 COc1cc(ccc1O)C2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CO)Cc4cc(OC)c(O)cc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B03 compound treatment 0.81 -0.188 -5.44 0.973 -0.0253 -0.75 -4.3749 -0.7967 3559896 ACon1_000985 COc1ccc(cc1OC)c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B04 compound treatment 1.003 0.00516 0.15 1.0 0.00173 0.05 0.1419 0.8984 2060503 ACon1_000986 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@@H](OC[C@H]34)c5ccc6OCOc6c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B05 compound treatment 1.014 0.0162 0.47 0.998 -2.66E-4 -0.01 0.3253 0.6951 3557603 ACon1_000987 CC1(CCCC2(C)C3CCC4CC3(CC4(O)CO)CCC12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B06 compound treatment 1.01 0.0122 0.35 1.009 0.0107 0.32 0.4734 0.9987 3559134 ACon1_000988 Oc1ccc(cc1O)C2CC(=O)c3ccc(O)c(O)c3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B07 compound treatment 1.003 0.00516 0.15 1.006 0.00773 0.23 0.2673 0.9787 3558984 ACon1_000989 C/C(=C\CCC1(C)C2CC3C(C2)C31C)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B08 compound treatment 0.988 -0.00984 -0.29 0.985 -0.0133 -0.39 -0.4789 -0.9877 3559662 ACon1_000990 COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B09 compound treatment 1.002 0.00416 0.12 0.998 -2.66E-4 -0.01 0.0796 0.6596 3554161 ACon1_000991 CCC(C)CC(C)/C=C(\C)/[C@H]1OC2=C([C@@H](O)[C@@H]1O)C(=C)N(OC)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B10 compound treatment 1.001 0.00316 0.09 0.999 7.34E-4 0.02 0.08 0.8514 3558358 ACon1_000992 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)[C@H](C)OC(=O)/C=C/c5ccc(O)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B11 compound treatment 0.981 -0.0168 -0.49 0.991 -0.00727 -0.21 -0.4968 -0.9321 3558976 ACon1_000993 COc1ccc(cc1)C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B12 compound treatment 0.999 0.00116 0.03 0.999 7.34E-4 0.02 0.039 0.978 2102488 ACon1_000994 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B13 mock treatment 0.982 -0.0158 -0.46 0.981 -0.0173 -0.51 -0.6854 -0.9986 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B14 mock treatment 0.999 0.00116 0.03 0.98 -0.0183 -0.54 -0.3582 -0.662 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B15 compound treatment 1.092 0.0942 2.73 1.083 0.0847 2.51 3.6997 0.9991 3559076 ACon1_000995 CC1C2C(CC3C4CC=C5C[C@@H](O)CC(O)[C@]5(C)C4CC[C@]23C)OC61CCC(C)CO6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B16 compound treatment 0.99 -0.00784 -0.23 0.987 -0.0113 -0.33 -0.3962 -0.9826 3558644 ACon1_000996 COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c(cc(=O)oc3c1)c4ccc(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B17 compound treatment 1.011 0.0132 0.38 1.008 0.00973 0.29 0.4729 0.9904 3559113 ACon1_000997 Cc1c(O)c(C)c2oc(cc(=O)c2c1O)c3ccccc3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B18 compound treatment 0.98 -0.0178 -0.52 0.969 -0.0293 -0.87 -0.9773 -0.9696 3559079 ACon1_000998 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(C=C)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B19 compound treatment 1.001 0.00316 0.09 1.0 0.00173 0.05 0.1009 0.9627 3558382 ACon1_000999 C[C@@H]1OC(O[C@H]2[C@H](O)[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)O[C@@H](OCCc4ccc(O)c(O)c4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B20 compound treatment 0.979 -0.0188 -0.55 0.97 -0.0283 -0.84 -0.9768 -0.9787 3559123 ACon1_001000 O[C@@]12CO[C@@H]([C@H]2CO[C@@H]1c3ccc4OCOc4c3)c5ccc6OCOc6c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B21 compound treatment 1.032 0.0342 0.99 1.037 0.0387 1.15 1.5093 0.9973 3559488 ACon1_001001 C/C=C(\COC(=O)C)/C(=O)O[C@@H]1CC2(C)OC(=CC2=O)\C(=C/[C@@H]3OC(=O)C(=C)C31)\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B22 compound treatment 1.049 0.0512 1.48 1.041 0.0427 1.26 1.941 0.9969 3553151 ACon1_001002 C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B23 compound treatment 1.0 0.00216 0.06 1.005 0.00673 0.2 0.1849 0.8863 3552728 ACon1_001003 C[C@@H]1CCC2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CCC(=CCO)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 B24 compound treatment 1.027 0.0292 0.84 1.041 0.0427 1.26 1.4905 0.9808 329 ACon1_001004 CC(C)C1NC(=O)C(NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4nc23)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C01 compound treatment 1.084 0.0862 2.5 1.073 0.0747 2.21 3.3268 0.9982 3614681 ACon1_001005 CO[C@H]1C(=O)Nc2ccc(/C=C/C(=C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C02 compound treatment 1.037 0.0392 1.13 1.035 0.0367 1.09 1.5698 0.9998 3558734 ACon1_001006 CC1(C)C2CC[C@]3(CC4CC[C@H]3[C@]2(C)CCC1=O)C[C@@]4(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C03 compound treatment 1.026 0.0282 0.82 1.02 0.0217 0.64 1.031 0.993 3553883 ACon1_001007 CC1(C)Oc2c(CCO)c3occ(c4ccc(O)c(O)c4)c(=O)c3c(O)c2C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C04 compound treatment 1.019 0.0212 0.61 1.017 0.0187 0.55 0.8249 0.9987 3555922 ACon1_001008 OC1C(O)C(COC(=O)CC2(O)C=CC(=O)C=C2)OC(OC(=O)CC3(O)C=CC(=O)C=C3)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C05 compound treatment 1.005 0.00716 0.21 1.005 0.00673 0.2 0.2873 0.9998 3552112 ACon1_001009 C/C=C\1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C3[C@H]1CC(=O)OC[C@@H]4[C@@H](C)[C@@H](C[C@H]4C(C)CO)OC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C06 compound treatment 0.996 -0.00184 -0.05 0.995 -0.00327 -0.1 -0.106 -0.961 3558787 ACon1_001010 C[C@@H]1O[C@@H](OCC2OC(OC3C(O)C(O)C(CO)OC3OC4C(O)C(O)C(CO)OC4Oc5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)c(O)c7)C(O)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C07 compound treatment 0.997 -8.44E-4 -0.02 0.998 -2.66E-4 -0.01 -0.0228 -0.8896 3558850 ACon1_001011 C[C@@H]1C(=O)[C@@H](O)[C@]2(COC(=O)C)[C@H](CCC[C@@]32CO3)[C@]41CC(OC4OC(=O)C)c5ccoc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C08 compound treatment 1.013 0.0152 0.44 1.01 0.0117 0.35 0.5557 0.9932 3558834 ACon1_001012 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C09 compound treatment 1.044 0.0462 1.34 1.043 0.0447 1.32 1.8804 1.0 3554277 ACon1_001013 CCCCCC1CC(O)C(O)C(CC(=O)OC(CCC)CCCC(CC(=O)O1)OC2OC(CO)C(O)C(O)C2NC(=O)C)OC(=O)CC(C)(O)CC(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C10 compound treatment 1.007 0.00916 0.27 1.0 0.00173 0.05 0.2238 0.8285 3558858 ACon1_001014 CC1OC(OC2C(O)C(C)OC(OCC3OC(OC4C(C)OC(Oc5cc(O)c6c(=O)c(O)c(oc6c5)c7ccc(O)c(O)c7)C(O)C4O)C(O)C(O)C3OC(=O)/C=C/c8ccc(O)cc8)C2O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C11 mock treatment 1.007 0.00916 0.27 1.005 0.00673 0.2 0.3283 0.99 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C12 mock treatment 1.01 0.0122 0.35 1.012 0.0137 0.41 0.5361 0.9975 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C13 compound treatment 1.018 0.0202 0.58 1.009 0.0107 0.32 0.6372 0.959 3558742 ACon1_001015 CC1=CCC2[C@](C)(CCC[C@]2(C)[C@H]1CCc3ccoc3)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C14 compound treatment 1.006 0.00816 0.24 1.008 0.00973 0.29 0.3705 0.9952 3558795 ACon1_001016 CC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C15 mock treatment 1.006 0.00816 0.24 1.008 0.00973 0.29 0.3705 0.9952 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C16 mock treatment 0.984 -0.0138 -0.4 0.985 -0.0133 -0.39 -0.5608 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C17 compound treatment 1.059 0.0612 1.77 1.061 0.0627 1.85 2.5639 0.9997 3558891 ACon1_001017 CCCC1CCCCCCCCCC(=O)OC2C(OC3OC(CO)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4OC(=O)C(C)CC)C(O)C3O)C(O)C(C)OC2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C18 compound treatment 0.999 0.00116 0.03 1.004 0.00573 0.17 0.1436 0.8307 3558933 ACon1_001018 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)O[C@H]1O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)CC[C@@]8(CC[C@]76C)C(=O)O)C4(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C19 compound treatment 1.014 0.0162 0.47 1.012 0.0137 0.41 0.618 0.9975 3614691 ACon1_001019 CC1CC(=O)c2c(C1)ccc3C(=O)c4cccc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)c4C(=O)c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C20 compound treatment 1.021 0.0232 0.67 1.029 0.0307 0.91 1.1167 0.9888 3553736 ACon1_001020 CC(NC(=O)c1ccccc1N)C(=O)N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C21 compound treatment 1.013 0.0152 0.44 1.006 0.00773 0.23 0.4721 0.9538 3558991 ACon1_001021 CCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C22 compound treatment 1.031 0.0332 0.96 1.03 0.0317 0.94 1.3424 0.9999 3559021 ACon1_001022 CC(=C)C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)C2=C)/C=C(\CO)/CC/C=C(/C=O)\[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C23 compound treatment 1.028 0.0302 0.87 1.031 0.0327 0.97 1.3019 0.9987 1102980 ACon1_001023 COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4cc5OCOc5cc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 C24 compound treatment 1.031 0.0332 0.96 1.025 0.0267 0.79 1.2379 0.9953 3552625 ACon1_001024 C[C@@H]1C[C@@H](O)[C@]23CO[C@]3(CO)CCC[C@@H]2[C@]41C[C@H](OC4=O)c5ccoc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D01 compound treatment 0.97 -0.0278 -0.81 0.987 -0.0113 -0.33 -0.8057 -0.9235 3558448 ACon1_001025 O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D02 compound treatment 1.069 0.0712 2.06 1.061 0.0627 1.85 2.7687 0.9986 1035250 ACon1_001026 CC(=O)c1c(O)cc(O)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D03 compound treatment 0.813 -0.185 -5.35 0.987 -0.0113 -0.33 -4.0208 -0.7497 3558681 ACon1_001027 CC(C)C1CCC(C)(O)C2CCC(C21)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D04 compound treatment 1.018 0.0202 0.58 1.013 0.0147 0.44 0.7208 0.9896 3559064 ACon1_001028 COc1cc2OC(C)(C)C=Cc2c3O[C@H](CC(=O)c13)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D05 compound treatment 1.028 0.0302 0.87 1.027 0.0287 0.85 1.2183 0.9999 3558585 ACon1_001029 COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D06 compound treatment 1.032 0.0342 0.99 1.032 0.0337 1.0 1.4047 1.0 3555816 ACon1_001030 OC(=O)C(CCCCCCCCC=C)C1(CCC(=O)O1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D07 compound treatment 1.026 0.0282 0.82 1.027 0.0287 0.85 1.1773 0.9998 3557965 ACon1_001031 COc1cc2oc(c(OC)c(=O)c2c(O)c1OC)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D08 compound treatment 1.003 0.00516 0.15 1.001 0.00273 0.08 0.1628 0.9585 3559355 ACon1_001032 COc1cc(CC(CO)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc3cc(OC)c(O)c(OC)c3)cc(OC)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D09 compound treatment 1.022 0.0242 0.7 1.028 0.0297 0.88 1.1163 0.9936 3558973 ACon1_001033 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D10 compound treatment 1.013 0.0152 0.44 1.007 0.00873 0.26 0.493 0.968 3554278 ACon1_001034 CCCCCC1OC2=C(C(O)C1(C)O)C(=O)N(OC)C2CSCC(O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D11 mock treatment 0.996 -0.00184 -0.05 1.0 0.00173 0.05 -0.0015 -0.0202 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D12 mock treatment 0.99 -0.00784 -0.23 0.994 -0.00427 -0.13 -0.2498 -0.9614 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D13 compound treatment 1.006 0.00816 0.24 1.008 0.00973 0.29 0.3705 0.9952 3558978 ACon1_001035 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(C)C(O)CCC12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D14 compound treatment 1.003 0.00516 0.15 0.977 -0.0213 -0.63 -0.339 -0.5246 3558688 ACon1_001036 CC(C)(C=C)c1cc2cc3ccoc3cc2oc1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D15 mock treatment 0.993 -0.00484 -0.14 1.001 0.00273 0.08 -0.042 -0.2596 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D16 mock treatment 1.012 0.0142 0.41 1.005 0.00673 0.2 0.4307 0.945 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D17 compound treatment 1.027 0.0292 0.84 1.026 0.0277 0.82 1.1769 0.9999 3559116 ACon1_001037 OC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](C1)OC(=O)/C=C/c4ccc(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D18 compound treatment 1.035 0.0372 1.08 1.004 0.00573 0.17 0.8808 0.8085 3558901 ACon1_001038 O[C@@H](CCc1ccccc1)CC(=O)CCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D19 compound treatment 1.02 0.0222 0.64 1.023 0.0247 0.73 0.9708 0.9979 3554848 ACon1_001039 COc1cc(C)c(Oc2cc(C)cc(O)c2)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D20 compound treatment 1.022 0.0242 0.7 1.025 0.0267 0.79 1.0536 0.9981 3559313 ACon1_001040 COC(=O)C[C@H]1/C(=C/COC(=O)\C=C\c2ccccc2)/[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D21 compound treatment 1.052 0.0542 1.57 1.056 0.0577 1.71 2.3161 0.9991 3552014 ACon1_001041 C/C=C(/C)\C(=O)O[C@H]1C(=C)[C@@H]2C[C@]31CC[C@@H]4[C@@](C)(CCC[C@@]4(C)[C@]3(O)CC2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D22 compound treatment 1.018 0.0202 0.58 1.011 0.0127 0.38 0.679 0.9775 3559586 ACon1_001042 CC(=O)OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CC\C(=C\CC1)\CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D23 compound treatment 1.022 0.0242 0.7 1.025 0.0267 0.79 1.0536 0.9981 3554758 ACon1_001043 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(O)CC(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 D24 compound treatment 1.05 0.0522 1.51 1.051 0.0527 1.56 2.1706 0.9999 3557336 ACon1_001044 CC(O)CC1=CC(OC1=O)C(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E01 mock treatment 1.013 0.0152 0.44 1.017 0.0187 0.55 0.702 0.9934 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E02 mock treatment 1.019 0.0212 0.61 1.023 0.0247 0.73 0.9504 0.9961 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E03 compound treatment 1.026 0.0282 0.82 1.022 0.0237 0.7 1.0728 0.9972 3553538 ACon1_001045 CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E04 compound treatment 1.003 0.00516 0.15 0.996 -0.00227 -0.07 0.0582 0.3558 3555006 ACon1_001046 COc1cc(OC)c2C(=O)OC(C)Cc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E05 compound treatment 0.927 -0.0708 -2.05 0.934 -0.0643 -1.9 -2.7943 -0.9993 3558819 ACon1_001047 O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](O)CC2=C)C1=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E06 compound treatment 1.113 0.115 3.34 1.087 0.0887 2.62 4.2133 0.9929 3614704 ACon1_001048 Cc1c(O)cc2C(=O)C(O)(CCCO)OCc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E07 compound treatment 1.009 0.0112 0.32 1.0 0.00173 0.05 0.2647 0.8092 3558866 ACon1_001049 C[C@@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)c3c(O)cc4oc(cc(=O)c4c3O)c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E08 compound treatment 1.019 0.0212 0.61 1.019 0.0207 0.61 0.8667 1.0 3558836 ACon1_001050 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E09 mock treatment 1.003 0.00516 0.15 0.998 -2.66E-4 -0.01 0.1 0.669 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E10 mock treatment 1.009 0.0112 0.32 1.012 0.0137 0.41 0.5156 0.9936 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E11 compound treatment 0.998 1.56E-4 0.0 0.995 -0.00327 -0.1 -0.0651 -0.6732 3558576 ACon1_001051 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)C(C)(C)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E12 compound treatment 1.011 0.0132 0.38 1.017 0.0187 0.55 0.6611 0.9833 3558478 ACon1_001052 CC(C)(O)c1cc(O)c2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E13 compound treatment 1.006 0.00816 0.24 0.998 -2.66E-4 -0.01 0.1615 0.6832 3558756 ACon1_001053 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/C)/[C@@H]1CC(=O)OCC(C)[C@@H]3C[C@H]4OC(=O)C5=CO[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)/C(=C/C)/[C@@H]5CC(=O)OC[C@@H]3[C@H]4C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E14 compound treatment 0.983 -0.0148 -0.43 0.984 -0.0143 -0.42 -0.6022 -1.0 1859 ACon1_001054 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E15 compound treatment 0.994 -0.00384 -0.11 0.99 -0.00827 -0.24 -0.2515 -0.9366 3558832 ACon1_001055 C/C/1=C\CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1)\CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E16 compound treatment 1.038 0.0402 1.16 1.035 0.0367 1.09 1.5903 0.9994 3555940 ACon1_001056 OC1CCC(=O)C(O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E17 mock treatment 1.012 0.0142 0.41 1.013 0.0147 0.44 0.5979 0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E18 mock treatment 1.003 0.00516 0.15 1.006 0.00773 0.23 0.2673 0.9787 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E19 compound treatment 1.016 0.0182 0.53 1.015 0.0167 0.49 0.7217 0.9995 3557853 ACon1_001057 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC43C)C(=O)O)C2C1(C)O)C(=O)OC6OC(CO)C(O)C(O)C6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E20 compound treatment 1.016 0.0182 0.53 1.012 0.0137 0.41 0.6589 0.9918 3558986 ACon1_001058 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E21 compound treatment 1.02 0.0222 0.64 1.015 0.0167 0.49 0.8036 0.9917 3559000 ACon1_001059 CCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E22 compound treatment 1.019 0.0212 0.61 1.021 0.0227 0.67 0.9085 0.9989 3559026 ACon1_001060 CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)C(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E23 compound treatment 1.018 0.0202 0.58 1.022 0.0237 0.7 0.909 0.9958 3558682 ACon1_001061 CC(C)c1ccc2c(c1)C(O)CC3C(C)(CO)CCCC32C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 E24 compound treatment 1.007 0.00916 0.27 1.013 0.0147 0.44 0.4955 0.9717 3552689 ACon1_001062 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@]43C)C2[C@]1(C)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F01 mock treatment 1.008 0.0102 0.29 1.008 0.00973 0.29 0.4115 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F02 mock treatment 1.009 0.0112 0.32 1.013 0.0147 0.44 0.5365 0.9892 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F03 compound treatment 1.036 0.0382 1.11 1.023 0.0247 0.73 1.2985 0.9799 3558778 ACon1_001063 Oc1ccc(/C=C/c2cc(O)cc(O)c2)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F04 compound treatment 1.031 0.0332 0.96 1.019 0.0207 0.61 1.1125 0.9765 3559033 ACon1_001064 COc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F05 compound treatment 0.993 -0.00484 -0.14 0.995 -0.00327 -0.1 -0.1675 -0.9834 425 ACon1_001065 Oc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F06 compound treatment 1.014 0.0162 0.47 1.006 0.00773 0.23 0.4926 0.9458 3559139 ACon1_001066 C[C@]1(CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CCC12)C(=O)C4=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F07 compound treatment 1.021 0.0232 0.67 1.018 0.0197 0.58 0.8868 0.9976 3558995 ACon1_001067 CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F08 compound treatment 1.021 0.0232 0.67 1.018 0.0197 0.58 0.8868 0.9976 3557648 ACon1_001068 OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc(O)c(O)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F09 mock treatment 1.014 0.0162 0.47 1.011 0.0127 0.38 0.5971 0.9942 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F10 mock treatment 1.014 0.0162 0.47 1.01 0.0117 0.35 0.5762 0.9892 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F11 compound treatment 1.026 0.0282 0.82 1.019 0.0207 0.61 1.0101 0.9901 3558481 ACon1_001069 COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F12 compound treatment 1.039 0.0412 1.19 1.037 0.0387 1.15 1.6526 0.9998 3557470 ACon1_001070 CCc1cc(O)c(C)c(O)c1C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F13 compound treatment 1.031 0.0332 0.96 1.032 0.0337 1.0 1.3843 0.9998 3559015 ACon1_001071 Oc1ccc(cc1)[C@H]2CC(=O)c3c(O)cc(O)c([C@H]4[C@@H](Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6)c3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F14 compound treatment 1.065 0.0672 1.94 1.057 0.0587 1.74 2.6032 0.9984 3555967 ACon1_001072 OCC1OC(OC(CCc2ccccc2)CC(=O)O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F15 compound treatment 1.015 0.0172 0.5 1.009 0.0107 0.32 0.5757 0.9766 3557355 ACon1_001073 CCCC[C@@H](O)c1cc(OC)cc(=O)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F16 compound treatment 1.029 0.0312 0.9 1.024 0.0257 0.76 1.176 0.9964 3558989 ACon1_001074 CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F17 mock treatment 1.012 0.0142 0.41 1.008 0.00973 0.29 0.4934 0.985 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F18 mock treatment 0.985 -0.0128 -0.37 0.984 -0.0143 -0.42 -0.5613 -0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F19 compound treatment 1.02 0.0222 0.64 1.018 0.0197 0.58 0.8663 0.9989 3559597 ACon1_001075 COc1cc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F20 compound treatment 1.016 0.0182 0.53 1.012 0.0137 0.41 0.6589 0.9918 3552025 ACon1_001076 C/C=C(\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1\C=C\[C@H](O)[C@H](C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F21 compound treatment 1.005 0.00716 0.21 1.005 0.00673 0.2 0.2873 0.9998 3553341 ACon1_001077 CC(=O)O[C@@H]1CC2[C@@]3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CC[C@@]2(C)[C@]4(C)CCC(O)(C14)[C@]5(C)CCC(O5)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F22 compound treatment 1.055 0.0572 1.66 1.051 0.0527 1.56 2.273 0.9996 3555308 ACon1_001078 COc1cccc2C(=O)c3c(ccc4CC(C)(O)CC(=O)c43)C(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F23 compound treatment 1.023 0.0252 0.73 1.027 0.0287 0.85 1.1159 0.9971 3559897 ACon1_001079 CC(=CCc1c(O)cc(O)c2c(=O)cc(oc12)c3ccc(O)cc3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 F24 compound treatment 1.043 0.0452 1.31 1.042 0.0437 1.29 1.8391 1.0 3558760 ACon1_001080 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@@H](O)C[C@@]31O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G01 compound treatment 1.039 0.0412 1.19 1.045 0.0467 1.38 1.8199 0.9973 3558179 ACon1_001081 COc1cc(CCCO)cc2C(COC3OC(CO)C(O)C(O)C3O)C(Oc21)c4ccc(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G02 compound treatment 1.002 0.00416 0.12 1.007 0.00873 0.26 0.2677 0.9396 3554828 ACon1_001082 COc1cc(c(O)c(O)c1c2ccccc2)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G03 mock treatment 0.999 0.00116 0.03 1.005 0.00673 0.2 0.1645 0.8146 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G04 mock treatment 1.0 0.00216 0.06 1.005 0.00673 0.2 0.1849 0.8863 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G05 compound treatment 1.01 0.0122 0.35 1.009 0.0107 0.32 0.4734 0.9987 3555886 ACon1_001083 OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c5ccc(O)c(O)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G06 compound treatment 1.006 0.00816 0.24 1.013 0.0147 0.44 0.4751 0.9587 3614713 ACon1_001084 CC1CC(O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G07 compound treatment 1.011 0.0132 0.38 1.017 0.0187 0.55 0.6611 0.9833 3558875 ACon1_001085 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3CC=C(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G08 compound treatment 1.001 0.00316 0.09 1.005 0.00673 0.2 0.2054 0.9376 3558860 ACon1_001086 C/C(=C\CCC(C)(O)C=C)/C(=O)OCC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G09 compound treatment 1.001 0.00316 0.09 0.988 -0.0103 -0.3 -0.15 -0.4732 3558972 ACon1_001087 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@H]1C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G10 compound treatment 1.002 0.00416 0.12 1.001 0.00273 0.08 0.1423 0.9812 3557781 ACon1_001088 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G11 compound treatment 0.988 -0.00984 -0.29 0.991 -0.00727 -0.21 -0.3535 -0.9903 1105254 ACon1_001089 CC12CCC3C4(C)C=CC(=O)C(C)(C)C4CC(O)C3(C)C2=CCC1c5ccoc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G12 compound treatment 0.988 -0.00984 -0.29 0.983 -0.0153 -0.45 -0.5207 -0.9754 3558250 ACon1_001090 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2Oc3cc4oc(=O)ccc4cc3[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G13 compound treatment 1.009 0.0112 0.32 1.007 0.00873 0.26 0.4111 0.9938 3553160 ACon1_001091 C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)C4CC[C@]23C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G14 compound treatment 1.022 0.0242 0.7 1.016 0.0177 0.52 0.8654 0.9899 3558272 ACon1_001092 C[C@H]1[C@H](C[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O)OC(=O)/C=C/c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G15 compound treatment 0.993 -0.00484 -0.14 1.0 0.00173 0.05 -0.0629 -0.4214 3558437 ACon1_001093 CO[C@@H]1CC(OC2CCC3(C)C(CCC4(CCC(C5=CC(=O)OC5)C6(C)CCC34)C6=O)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G16 compound treatment 1.015 0.0172 0.5 1.021 0.0227 0.67 0.8266 0.9889 3559145 ACon1_001094 CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G17 compound treatment 1.016 0.0182 0.53 1.012 0.0137 0.41 0.6589 0.9918 3557962 ACon1_001095 OC[C@H]1O[C@@H](O[C@@H]2OC=CC3C(O)C=C(COC(=O)c4ccccc4)C32)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G18 compound treatment 0.986 -0.0118 -0.34 0.979 -0.0193 -0.57 -0.6453 -0.9705 3558116 ACon1_001096 COc1c(O)c2c(=O)cc(oc2cc1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G19 mock treatment 1.007 0.00916 0.27 1.005 0.00673 0.2 0.3283 0.99 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G20 mock treatment 1.006 0.00816 0.24 1.011 0.0127 0.38 0.4333 0.9748 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G21 compound treatment 1.041 0.0432 1.25 1.051 0.0527 1.56 1.9863 0.994 3554700 ACon1_001097 COC(=O)c1cc(CO)cc(O)c1C(=O)c2c(O)cccc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G22 compound treatment 0.999 0.00116 0.03 1.01 0.0117 0.35 0.269 0.7718 3558581 ACon1_001098 C[C@@]1(CCC[C@]2(C)C3CCC4CC3(CCC12)C=C4CO)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G23 compound treatment 0.991 -0.00684 -0.2 0.991 -0.00727 -0.21 -0.292 -0.9992 3555287 ACon1_001099 COc1ccc2c(C=O)c(oc2c1)c3ccc(OC)c(O)c3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 G24 compound treatment 1.015 0.0172 0.5 1.026 0.0277 0.82 0.9312 0.9712 1787154 ACon1_001100 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccccc3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H01 compound treatment 1.013 0.0152 0.44 1.017 0.0187 0.55 0.702 0.9934 3558364 ACon1_001101 CCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H02 compound treatment 1.029 0.0312 0.9 1.035 0.0367 1.09 1.406 0.9958 3558698 ACon1_001102 CC(=O)OC/C=C(\CO)/CC/C=C(\C)/CC/C=C(\CC/C=C(\C)/COC(=O)C)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H03 mock treatment 1.01 0.0122 0.35 1.01 0.0117 0.35 0.4943 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H04 mock treatment 1.02 0.0222 0.64 1.014 0.0157 0.47 0.7827 0.9875 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H05 compound treatment 0.992 -0.00584 -0.17 0.995 -0.00327 -0.1 -0.1879 -0.9646 3558811 ACon1_001103 COc1cc(/C=C/C=O)cc(OC)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H06 compound treatment 1.006 0.00816 0.24 1.006 0.00773 0.23 0.3287 0.9999 3559864 ACon1_001104 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@@H]4N(Cc5c4nc6ccccc6c5O)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H07 compound treatment 1.032 0.0342 0.99 1.021 0.0227 0.67 1.1748 0.9823 3557308 ACon1_001105 CCCCCCCCC(C(O)CC(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H08 compound treatment 1.029 0.0312 0.9 1.025 0.0267 0.79 1.1969 0.9978 1001923 ACon1_001106 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H09 compound treatment 0.985 -0.0128 -0.37 0.977 -0.0213 -0.63 -0.7076 -0.9686 3557902 ACon1_001107 COc1cc(cc(OC)c1O)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H10 compound treatment 1.001 0.00316 0.09 0.993 -0.00527 -0.16 -0.0455 -0.2518 3553984 ACon1_001108 Cc1cc(O)c(Cc2c(O)cc(C)c(C=O)c2O)c(O)c1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H11 compound treatment 0.996 -0.00184 -0.05 0.999 7.34E-4 0.02 -0.0224 -0.3887 3559002 ACon1_001109 Oc1ccc(CCCc2ccc3OCOc3c2)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H12 compound treatment 1.008 0.0102 0.29 1.011 0.0127 0.38 0.4742 0.9925 3554509 ACon1_001110 CO[C@H]/1\C=C\[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H13 compound treatment 1.02 0.0222 0.64 1.02 0.0217 0.64 0.9081 1.0 3559031 ACon1_001111 CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H14 compound treatment 1.062 0.0642 1.86 1.057 0.0587 1.74 2.5417 0.9994 3554525 ACon1_001112 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(C)(O)CCl)C1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H15 compound treatment 1.108 0.11 3.19 1.084 0.0857 2.53 4.0482 0.9935 3553997 ACon1_001113 Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H16 compound treatment 0.966 -0.0318 -0.92 0.968 -0.0303 -0.89 -1.2849 -0.9999 1106761 ACon1_001114 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3CC(=O)CC(CC(=O)CCc4ccc(O)cc4)O3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H17 compound treatment 1.046 0.0482 1.39 1.037 0.0387 1.15 1.796 0.9952 3559112 ACon1_001115 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)/C=C/C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H18 compound treatment 1.052 0.0542 1.57 1.064 0.0657 1.94 2.4833 0.9943 3558839 ACon1_001116 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H19 mock treatment 1.004 0.00616 0.18 1.006 0.00773 0.23 0.2878 0.9924 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H20 mock treatment 1.005 0.00716 0.21 1.003 0.00473 0.14 0.2455 0.9817 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H21 compound treatment 0.996 -0.00184 -0.05 0.995 -0.00327 -0.1 -0.106 -0.961 1111461 ACon1_001117 CC(=CCOc1c2occc2cc3ccc(=O)oc13)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H22 compound treatment 1.022 0.0242 0.7 1.026 0.0277 0.82 1.0745 0.9969 3558469 ACon1_001118 OC(=O)c1c(O)cccc1CCCCCCC/C=C\C/C=C\CC=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H23 compound treatment 0.878 -0.12 -3.47 0.874 -0.124 -3.67 -5.0522 -0.9996 3559898 ACon1_001119 C[C@@H]1C(O)O[C@@H]2[C@H]1[C@@H](O)C[C@](C)(C=C)[C@H]2C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 H24 compound treatment 1.007 0.00916 0.27 0.999 7.34E-4 0.02 0.2029 0.7625 3559171 ACon1_001120 OC[C@H]1O[C@@H](Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4C(=O)C[C@@H](Oc4c2)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I01 compound treatment 1.052 0.0542 1.57 1.029 0.0307 0.91 1.7516 0.9663 3554132 ACon1_001121 CCC(C)C(=O)c1c(O)cc2OC(C)(C)C(CC=C(C)C)Cc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I02 compound treatment 0.993 -0.00484 -0.14 0.993 -0.00527 -0.16 -0.2093 -0.9986 3553195 ACon1_001122 CC(=CCc1c(oc2c(CC=C(C)C)c(O)cc(O)c2c1=O)c3ccc(O)cc3O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I03 compound treatment 0.898 -0.0998 -2.89 0.987 -0.0113 -0.33 -2.2802 -0.7834 3559282 ACon1_001123 OC[C@H]1O[C@@H](Oc2ccc(CC=C)cc2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I04 compound treatment 0.995 -0.00284 -0.08 0.998 -2.66E-4 -0.01 -0.0638 -0.771 3558801 ACon1_001124 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]3C(=C[C@@H](O)[C@@]3(C)O)[C@@](C)(O)C[C@@H]2OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I05 mock treatment 0.986 -0.0118 -0.34 0.991 -0.00727 -0.21 -0.3944 -0.9746 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I06 mock treatment 0.992 -0.00584 -0.17 0.995 -0.00327 -0.1 -0.1879 -0.9646 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I07 compound treatment 0.983 -0.0148 -0.43 0.98 -0.0183 -0.54 -0.6858 -0.9936 3474459 ACon1_001125 OCC1OC(Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)C(OC5OCC(O)(CO)C5O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I08 compound treatment 1.01 0.0122 0.35 1.01 0.0117 0.35 0.4943 1.0 3554178 ACon1_001126 CCC(CCCCC(=O)CCCCC1CCC(=O)O1)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@H](OC(=O)C)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I09 compound treatment 0.992 -0.00584 -0.17 0.979 -0.0193 -0.57 -0.5224 -0.8792 3558998 ACon1_001127 CCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I10 compound treatment 0.978 -0.0198 -0.57 0.969 -0.0293 -0.87 -1.0182 -0.9802 3557509 ACon1_001128 OCC1OC(C(O)C(O)C1O)c2c(O)c(C3OCC(O)C(O)C3O)c(O)c4c(=O)cc(oc24)c5ccc(O)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I11 compound treatment 0.996 -0.00184 -0.05 0.996 -0.00227 -0.07 -0.0851 -0.9937 3558722 ACon1_001129 CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(OC(=O)C)C(OC4OC(C)C(O)C(O)C4O)C2OC(=O)/C=C/c5ccc(O)c(O)c5)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I12 compound treatment 1.01 0.0122 0.35 1.016 0.0177 0.52 0.6197 0.9812 3558629 ACon1_001130 OC[C@H]1O[C@@H](Oc2cc3occc3cc2CCC(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I13 compound treatment 0.987 -0.0108 -0.31 0.979 -0.0193 -0.57 -0.6248 -0.9606 3558785 ACon1_001131 CC1(C)C2CCC1(C)C(C2)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I14 compound treatment 0.974 -0.0238 -0.69 0.977 -0.0213 -0.63 -0.9329 -0.9989 3558926 ACon1_001132 Oc1ccc(/C=C/c2ccc(O)cc2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I15 compound treatment 1.005 0.00716 0.21 0.987 -0.0113 -0.33 -0.089 -0.2268 3558862 ACon1_001133 CC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)OC4C5OC5(C)C6C(OC7OC(CO)C(OC(=O)/C(=C/CCC(C)(O)C=C)/C)C(O)C7O)OC=CC46O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I16 compound treatment 1.006 0.00816 0.24 0.999 7.34E-4 0.02 0.1824 0.7689 3558948 ACon1_001134 COc1cc(/C=C\C(=O)O)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I17 compound treatment 0.991 -0.00684 -0.2 0.981 -0.0173 -0.51 -0.5011 -0.9151 3557339 ACon1_001135 C[C@H]1OC(=O)c2c(O)ccc(O)c2[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I18 compound treatment 0.985 -0.0128 -0.37 0.989 -0.00927 -0.27 -0.4567 -0.9887 3557346 ACon1_001136 CC(C)CCCC/C=C\CCCCCCCC(=O)OCC(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I19 compound treatment 1.002 0.00416 0.12 1.002 0.00373 0.11 0.1632 0.9991 3557913 ACon1_001137 CC1OC(OC2C(O)C(O)COC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)CC(O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I20 compound treatment 1.014 0.0162 0.47 1.01 0.0117 0.35 0.5762 0.9892 3558986 ACon1_001138 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(OC)c2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I21 mock treatment 0.995 -0.00284 -0.08 0.996 -0.00227 -0.07 -0.1056 -0.9947 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I22 mock treatment 0.994 -0.00384 -0.11 0.992 -0.00627 -0.19 -0.2097 -0.9703 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I23 compound treatment 1.013 0.0152 0.44 1.008 0.00973 0.29 0.5139 0.9791 3554969 ACon1_001139 COc1cc(O)c(CC=C(C)C)cc1C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 I24 compound treatment 1.018 0.0202 0.58 1.023 0.0247 0.73 0.9299 0.9938 3554553 ACon1_001140 COC(=O)[C@]1(C)CC[C@H](O)[C@@]2(C)C1C[C@@H](OC(=O)C)C3=C2[C@H](O)C[C@](C)(C=C)[C@@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J01 compound treatment 0.965 -0.0328 -0.95 0.982 -0.0163 -0.48 -1.0126 -0.9501 3557527 ACon1_001141 OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J02 compound treatment 0.999 0.00116 0.03 0.997 -0.00127 -0.04 -0.0028 -0.0554 3558547 ACon1_001142 COc1ccc(cc1OC)[C@@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J03 compound treatment 0.973 -0.0248 -0.72 0.967 -0.0313 -0.92 -1.1624 -0.9923 3554707 ACon1_001143 COC(=O)c1cc(O)cc(OC)c1Oc2c(Cl)c(C)c(Cl)c(O)c2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J04 compound treatment 0.995 -0.00284 -0.08 0.992 -0.00627 -0.19 -0.1892 -0.9334 3559048 ACon1_001144 CC(C)(O)C(O)Cc1cc2ccc(=O)oc2cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J05 mock treatment 0.973 -0.0248 -0.72 0.981 -0.0173 -0.51 -0.8697 -0.9859 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J06 mock treatment 0.999 0.00116 0.03 1.0 0.00173 0.05 0.0599 0.9787 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J07 compound treatment 1.043 0.0452 1.31 1.029 0.0307 0.91 1.5673 0.9842 3559004 ACon1_001145 Oc1cc(O)c(C(=O)CCCCCCCCc2ccccc2)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J08 compound treatment 1.005 0.00716 0.21 1.002 0.00373 0.11 0.2246 0.9565 3558537 ACon1_001146 C/C(=C\CC1C(=C)CCC2C(C)(CCCC12C)C(=O)O)/C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J09 compound treatment 1.005 0.00716 0.21 1.007 0.00873 0.26 0.3292 0.9941 3558931 ACon1_001147 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3O[C@@H](CC(=O)c3c2O)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J10 compound treatment 0.999 0.00116 0.03 0.994 -0.00427 -0.13 -0.0655 -0.502 3557887 ACon1_001148 COc1cc(ccc1O)C2OCC3C(OCC23)c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J11 compound treatment 1.024 0.0262 0.76 1.018 0.0197 0.58 0.9482 0.9917 3557666 ACon1_001149 CC(=O)OCC(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J12 compound treatment 1.008 0.0102 0.29 1.003 0.00473 0.14 0.307 0.9423 3554146 ACon1_001150 CCC(C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J13 compound treatment 1.008 0.0102 0.29 1.018 0.0197 0.58 0.6206 0.9497 3559043 ACon1_001151 CC(C)(O)C1CCC(C)(O1)C2[C@H](O)C[C@@]3(C)C4CC=C5C(C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J14 compound treatment 0.989 -0.00884 -0.26 0.993 -0.00527 -0.16 -0.2912 -0.9715 3557343 ACon1_001152 CCC/C=C\CC(N)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J15 compound treatment 0.863 -0.135 -3.91 0.906 -0.0923 -2.73 -4.6903 -0.9846 3559081 ACon1_001153 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3ccc(C=C)cc3)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J16 compound treatment 1.016 0.0182 0.53 1.006 0.00773 0.23 0.5335 0.9304 3552097 ACon1_001154 C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J17 compound treatment 1.016 0.0182 0.53 1.019 0.0207 0.61 0.8053 0.9971 3559133 ACon1_001155 OC1C(O)c2ccc(O)c(O)c2OC1c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J18 compound treatment 1.004 0.00616 0.18 1.001 0.00273 0.08 0.1832 0.936 3558873 ACon1_001156 O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J19 compound treatment 0.993 -0.00484 -0.14 0.999 7.34E-4 0.02 -0.0838 -0.5906 3554748 ACon1_001157 COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J20 compound treatment 1.026 0.0282 0.82 1.032 0.0337 1.0 1.2819 0.995 3558844 ACon1_001158 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2[C@@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J21 mock treatment 1.001 0.00316 0.09 1.011 0.0127 0.38 0.3309 0.854 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J22 mock treatment 0.985 -0.0128 -0.37 0.983 -0.0153 -0.45 -0.5822 -0.9954 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J23 compound treatment 1.009 0.0112 0.32 1.014 0.0157 0.47 0.5574 0.9841 3555129 ACon1_001159 COc1ccc(cc1)C2(O)C(O)C(=O)Nc3ccccc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 J24 compound treatment 1.015 0.0172 0.5 1.019 0.0207 0.61 0.7848 0.9946 3552652 ACon1_001160 C[C@@H]1C[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@]4(C)[C@H](CCC=C4C)[C@@]1(C)CC[C@](C)(O[C@@H]5O[C@H](C)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K01 compound treatment 1.002 0.00416 0.12 0.996 -0.00227 -0.07 0.0377 0.274 3554770 ACon1_001161 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K02 compound treatment 0.989 -0.00884 -0.26 0.986 -0.0123 -0.36 -0.4375 -0.9855 3558741 ACon1_001162 C[C@@]1(CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=C)CCC12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K03 compound treatment 1.014 0.0162 0.47 1.007 0.00873 0.26 0.5135 0.9608 3558575 ACon1_001163 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K04 compound treatment 1.025 0.0272 0.79 1.02 0.0217 0.64 1.0105 0.995 3553892 ACon1_001164 CC1[C@@H]2CC[C@@]3(C)[C@H](O)C[C@H](O)C(=C)C3[C@H]2OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K05 compound treatment 1.005 0.00716 0.21 0.999 7.34E-4 0.02 0.1619 0.7769 3558807 ACon1_001165 C[C@H]1[C@@H]2CC/C(=C/C[C@H](O)/C(=C/[C@H]2OC1=O)/C)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K06 compound treatment 0.997 -8.44E-4 -0.02 1.006 0.00773 0.23 0.1444 0.628 3552732 ACon1_001166 C[C@@H]1N2[C@H]3N(C1=O)c4ccccc4[C@@]3(O)C[C@@H]5C(=O)N[C@]2(C)c6nc7ccccc7c(=O)n56 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K07 mock treatment 1.006 0.00816 0.24 1.0 0.00173 0.05 0.2033 0.841 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K08 mock treatment 1.003 0.00516 0.15 1.004 0.00573 0.17 0.2255 0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K09 compound treatment 0.999 0.00116 0.03 0.992 -0.00627 -0.19 -0.1073 -0.5701 3558702 ACon1_001167 CC(=CCC/C(=C/CC/C(=C/CC\C(=C\COC(=O)C)\COC(=O)C)/C)/C(=O)O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K10 compound treatment 0.985 -0.0128 -0.37 0.993 -0.00527 -0.16 -0.3731 -0.9253 3558881 ACon1_001168 COc1cc(ccc1O)[C@H]2Oc3c(cc(CCCO)cc3O)[C@@H]2CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K11 compound treatment 0.965 -0.0328 -0.95 0.967 -0.0313 -0.92 -1.3262 -0.9999 3558728 ACon1_001169 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(C(=O)CCc4ccc(O)cc4)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K12 compound treatment 0.975 -0.0228 -0.66 0.971 -0.0273 -0.81 -1.0378 -0.9952 3558883 ACon1_001170 COc1c(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3occc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K13 compound treatment 1.015 0.0172 0.5 1.005 0.00673 0.2 0.4921 0.9194 3558821 ACon1_001171 OCC1OC(OC2CC3C(C4OC(=O)C(=C)C4C(O)CC3=C)C2=C)C(O)C(OC(=O)/C=C/c5ccc(O)c(O)c5)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K14 compound treatment 0.989 -0.00884 -0.26 0.985 -0.0133 -0.39 -0.4584 -0.9787 3558928 ACon1_001172 CC(C)C1C(OC(=O)/C=C/c2ccccc2)C3OC1CC(C)(O)C(O)CCC3(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K15 mock treatment 1.008 0.0102 0.29 1.004 0.00573 0.17 0.3279 0.9657 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K16 mock treatment 0.981 -0.0168 -0.49 0.976 -0.0223 -0.66 -0.8104 -0.9891 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K17 compound treatment 1.042 0.0442 1.28 1.041 0.0427 1.26 1.7977 1.0 3558508 ACon1_001173 CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)/C=C/C(C)C(=O)C2(O)C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)C2[C@H]3OC(=O)CC[C@]31OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K18 compound treatment 0.988 -0.00984 -0.29 0.992 -0.00627 -0.19 -0.3326 -0.9782 3558941 ACon1_001174 CC(C)CC(=O)c1c(O)cc(O)cc1OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K19 compound treatment 1.017 0.0192 0.55 1.008 0.00973 0.29 0.5958 0.9533 3558693 ACon1_001175 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(C)(O)C(C)Cl)C1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K20 compound treatment 1.013 0.0152 0.44 1.016 0.0177 0.52 0.6811 0.9961 3558988 ACon1_001176 CCCCCC(O)CC(O)CCc1ccc(O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K21 compound treatment 0.999 0.00116 0.03 0.985 -0.0133 -0.39 -0.2537 -0.6444 3559019 ACon1_001177 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4O[C@H]5CC[C@@]6(C)C(CC[C@]7(C)C6CC=C8[C@@H]9CC(C)(C)CC[C@@]9(CC[C@]87C)C(=O)O)[C@]5(C)CO)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K22 compound treatment 0.99 -0.00784 -0.23 0.989 -0.00927 -0.27 -0.3543 -0.9957 3559027 ACon1_001178 CC(=O)OC[C@]1(O)C[C@@]2(C[C@H]1CC[C@H]23)CC[C@@H]4[C@@](C)(CCC[C@@]34C)C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K23 mock treatment 1.005 0.00716 0.21 0.993 -0.00527 -0.16 0.0365 0.1407 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 K24 mock treatment 0.989 -0.00884 -0.26 0.997 -0.00127 -0.04 -0.2076 -0.8019 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L01 compound treatment 0.998 1.56E-4 0.0 1.001 0.00273 0.08 0.0604 0.7455 3554154 ACon1_001179 CCC(C)c1cnc(Cc2ccccc2)c(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L02 compound treatment 0.995 -0.00284 -0.08 0.995 -0.00327 -0.1 -0.1265 -0.9969 3557616 ACon1_001180 COc1cc(cc(OC)c1O)C2C(COC3OCC(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L03 compound treatment 1.007 0.00916 0.27 1.007 0.00873 0.26 0.3701 0.9999 3554516 ACon1_001181 CO[C@H]1C(=O)Nc2ccc(/C=C/C3(C)CCC(C)(C)CO3)c(O)c2[C@]1(O)c4ccc(OC)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L04 compound treatment 0.944 -0.0538 -1.56 0.967 -0.0313 -0.92 -1.7563 -0.9688 3559072 ACon1_001182 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L05 compound treatment 0.975 -0.0228 -0.66 0.984 -0.0143 -0.42 -0.766 -0.9764 3557828 ACon1_001183 Oc1ccc(CCCCC(=O)CCc2ccc(O)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L06 compound treatment 1.001 0.00316 0.09 0.988 -0.0103 -0.3 -0.15 -0.4732 2095398 ACon1_001184 CC(=CCCC1(C)Oc2ccc3c4cc(C)c(O)cc4[nH]c3c2C=C1)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L07 mock treatment 1.005 0.00716 0.21 1.012 0.0137 0.41 0.4337 0.9513 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L08 mock treatment 1.007 0.00916 0.27 0.989 -0.00927 -0.27 -0.0062 -0.0163 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L09 compound treatment 0.99 -0.00784 -0.23 0.992 -0.00627 -0.19 -0.2916 -0.9949 3558935 ACon1_001185 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L10 compound treatment 1.013 0.0152 0.44 1.005 0.00673 0.2 0.4512 0.9361 3558649 ACon1_001186 CC1=CCC2C(C)(C)CCC[C@]2(C)[C@]31CC[C@](C)(CC(=O)O)O3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L11 compound treatment 0.913 -0.0848 -2.46 0.911 -0.0873 -2.58 -3.5619 -0.9997 3557542 ACon1_001187 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)c(C4C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)c(O)c6)c3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L12 compound treatment 1.037 0.0392 1.13 1.037 0.0387 1.15 1.6117 1.0 3558613 ACon1_001188 OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L13 compound treatment 1.002 0.00416 0.12 1.007 0.00873 0.26 0.2677 0.9396 3558939 ACon1_001189 CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L14 compound treatment 1.008 0.0102 0.29 1.007 0.00873 0.26 0.3906 0.9979 3558993 ACon1_001190 CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L15 mock treatment 1.005 0.00716 0.21 1.005 0.00673 0.2 0.2873 0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L16 mock treatment 1.003 0.00516 0.15 1.001 0.00273 0.08 0.1628 0.9585 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L17 compound treatment 1.01 0.0122 0.35 1.008 0.00973 0.29 0.4525 0.995 3559131 ACon1_001191 C[C@@]1(CCC[C@@]2(C)C3CCC4CC3(C[C@@]4(O)CO)CCC12)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L18 compound treatment 1.084 0.0862 2.5 1.097 0.0987 2.92 3.8285 0.9969 3559237 ACon1_001192 O[C@H]1[C@@H](Oc2c([C@H]3[C@@H](Oc4cc(O)cc(O)c4C3=O)c5ccc(O)cc5)c(O)cc(O)c2C1=O)c6ccc(O)cc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L19 compound treatment 1.025 0.0272 0.79 1.03 0.0317 0.94 1.2196 0.9961 3559639 ACon1_001193 CC(=O)/C=C(\O)/C=C/c1ccc(O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L20 compound treatment 1.018 0.0202 0.58 1.01 0.0117 0.35 0.6581 0.9691 3554658 ACon1_001194 COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)c(O)c3)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L21 compound treatment 0.993 -0.00484 -0.14 1.001 0.00273 0.08 -0.042 -0.2596 3557983 ACon1_001195 CC1CCC2C1C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L22 compound treatment 1.011 0.0132 0.38 1.015 0.0167 0.49 0.6193 0.9917 3554257 ACon1_001196 CCCCC[C@@H]1OC2=C([C@H](O)[C@]1(C)O)C(=O)N(OC)C2=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L23 mock treatment 0.996 -0.00184 -0.05 1.004 0.00573 0.17 0.0821 0.462 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 L24 mock treatment 1.014 0.0162 0.47 1.014 0.0157 0.47 0.6598 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M01 compound treatment 0.985 -0.0128 -0.37 0.988 -0.0103 -0.3 -0.4776 -0.9949 2110684 ACon1_001197 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@@H]3[C@]1(C)CC[C@@H]4C(C)(C)[C@H](CC[C@]43C=O)OC(=O)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M02 compound treatment 0.978 -0.0198 -0.57 0.982 -0.0163 -0.48 -0.7464 -0.9961 3558775 ACon1_001198 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M03 compound treatment 0.993 -0.00484 -0.14 0.982 -0.0163 -0.48 -0.4392 -0.8768 3557303 ACon1_001199 COc1cc(O)cc2CC(C)OC(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M04 compound treatment 0.968 -0.0298 -0.86 0.973 -0.0253 -0.75 -1.1394 -0.9974 3558815 ACon1_001200 C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@]2(C)CO)[C@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M05 compound treatment 0.994 -0.00384 -0.11 0.993 -0.00527 -0.16 -0.1888 -0.9865 3553725 ACon1_001201 CC(CO)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2OC(=O)C(CN3CCCC3C(=O)O)[C@@H]21)/CO)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M06 compound treatment 0.975 -0.0228 -0.66 0.974 -0.0243 -0.72 -0.9751 -0.9992 3558829 ACon1_001202 CC1CCCC2=CC(OC2=O)C(C)(C)CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M07 compound treatment 0.989 -0.00884 -0.26 0.984 -0.0143 -0.42 -0.4793 -0.9714 3558899 ACon1_001203 CC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M08 compound treatment 0.989 -0.00884 -0.26 0.987 -0.0113 -0.33 -0.4166 -0.9916 3558868 ACon1_001204 CC(=O)CCCCCCCc1[nH]c2ccccc2c(=O)c1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M09 mock treatment 0.987 -0.0108 -0.31 0.983 -0.0153 -0.45 -0.5412 -0.9843 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M10 mock treatment 0.959 -0.0388 -1.12 0.97 -0.0283 -0.84 -1.3864 -0.9893 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M11 compound treatment 0.972 -0.0258 -0.75 0.969 -0.0293 -0.87 -1.1411 -0.9974 3558753 ACon1_001205 CC(=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)c4ccc(O)cc4O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M12 compound treatment 0.986 -0.0118 -0.34 0.992 -0.00627 -0.19 -0.3735 -0.9582 3558895 ACon1_001206 C[C@H]1O[C@@H](OC(C)(C)C2CCC(=CC2)C)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M13 mock treatment 0.979 -0.0188 -0.55 0.975 -0.0233 -0.69 -0.8723 -0.9934 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M14 mock treatment 0.982 -0.0158 -0.46 0.987 -0.0113 -0.33 -0.56 -0.9876 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M15 compound treatment 0.977 -0.0208 -0.6 0.974 -0.0243 -0.72 -0.9342 -0.9963 3558864 ACon1_001207 C/C(=C\CC[C@@](C)(O)C=C)/C(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@]13OC(=O)\C(=C\CC[C@](C)(O)C=C)\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M16 compound treatment 0.983 -0.0148 -0.43 0.986 -0.0123 -0.36 -0.5604 -0.9964 3558691 ACon1_001208 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)C(=C)CO)C1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M17 compound treatment 0.987 -0.0108 -0.31 0.991 -0.00727 -0.21 -0.374 -0.9829 3558897 ACon1_001209 CC(C)C(=O)OCC(O)(COC(=O)C(C)C)c1ccc(C)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M18 compound treatment 1.045 0.0472 1.37 1.047 0.0487 1.44 1.9845 0.9996 3558942 ACon1_001210 CC1=CCC(CC1)C(C)(C)O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M19 compound treatment 0.981 -0.0168 -0.49 0.98 -0.0183 -0.54 -0.7268 -0.9987 3553659 ACon1_001211 CC(C)CCCC/C=C\CCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M20 compound treatment 0.981 -0.0168 -0.49 0.984 -0.0143 -0.42 -0.6432 -0.9974 3558700 ACon1_001212 CC(=O)OC/C=C(\C)/CC/C=C(\C)/C(C/C=C(\CC/C=C(\C)/COC(=O)C)/C(=O)O)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M21 compound treatment 0.971 -0.0268 -0.78 0.969 -0.0293 -0.87 -1.1616 -0.9986 3614729 ACon1_001213 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M22 compound treatment 0.978 -0.0198 -0.57 0.984 -0.0143 -0.42 -0.7046 -0.9884 3559009 ACon1_001214 CCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M23 compound treatment 1.004 0.00616 0.18 0.995 -0.00327 -0.1 0.0578 0.2851 3558724 ACon1_001215 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](OC(=O)C)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]2OC(=O)/C=C/c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 M24 compound treatment 1.061 0.0632 1.83 1.082 0.0837 2.48 3.0439 0.9889 3558423 ACon1_001216 C[C@]1(CCC[C@@]2(C)C3CCC4CC3(CC4=C)CCC12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N01 compound treatment 0.99 -0.00784 -0.23 0.997 -0.00127 -0.04 -0.1871 -0.8126 1000005 ACon1_001217 CCCCCC(O)/C=C/C=C\CCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N02 compound treatment 0.977 -0.0208 -0.6 0.982 -0.0163 -0.48 -0.7669 -0.9937 2119184 ACon1_001218 CC(=CCC/C(=C/Cc1cc2ccc(=O)oc2cc1O)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N03 compound treatment 0.992 -0.00584 -0.17 0.988 -0.0103 -0.3 -0.3343 -0.962 3553469 ACon1_001219 CC(C)(O)C1=CC23CC[C@H]4[C@@](C)(CCC[C@]4(C)C3C[C@@H]1OO2)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N04 compound treatment 0.841 -0.157 -4.54 0.834 -0.164 -4.86 -6.6461 -0.9994 3614731 ACon1_001220 CC1=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N05 compound treatment 0.979 -0.0188 -0.55 0.984 -0.0143 -0.42 -0.6841 -0.9919 3558777 ACon1_001221 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(CC[C@]54C(=O)O)C(=O)O)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N06 compound treatment 1.018 0.0202 0.58 1.017 0.0187 0.55 0.8044 0.9997 3559649 ACon1_001222 Oc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N07 compound treatment 1.027 0.0292 0.84 1.029 0.0307 0.91 1.2396 0.9993 3553701 ACon1_001223 CC(CCC=C(C)C)C1CC(O)C(C)(O)C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N08 compound treatment 1.023 0.0252 0.73 1.026 0.0277 0.82 1.095 0.9983 3557653 ACon1_001224 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N09 mock treatment 0.977 -0.0208 -0.6 0.993 -0.00527 -0.16 -0.5369 -0.8613 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N10 mock treatment 0.973 -0.0248 -0.72 0.969 -0.0293 -0.87 -1.1206 -0.9958 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N11 compound treatment 1.05 0.0522 1.51 1.065 0.0667 1.97 2.4633 0.9913 3559029 ACon1_001225 CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N12 compound treatment 0.978 -0.0198 -0.57 0.978 -0.0203 -0.6 -0.83 -0.9998 1077975 ACon1_001226 COc1cc(CCC(=O)O)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N13 mock treatment 0.975 -0.0228 -0.66 0.987 -0.0113 -0.33 -0.7033 -0.9496 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N14 mock treatment 0.979 -0.0188 -0.55 0.976 -0.0223 -0.66 -0.8514 -0.9957 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N15 compound treatment 1.064 0.0662 1.92 1.087 0.0887 2.62 3.2099 0.9881 2060475 ACon1_001227 COc1cc(OC)c2C(=O)CC(Oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N16 compound treatment 1.009 0.0112 0.32 1.011 0.0127 0.38 0.4947 0.9971 3558625 ACon1_001228 COc1c(O)cc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N17 compound treatment 0.971 -0.0268 -0.78 0.973 -0.0253 -0.75 -1.0779 -0.9998 3559125 ACon1_001229 COc1ccc(cc1OC)C2OCC3[C@@H](OCC23)c4ccc(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N18 compound treatment 1.003 0.00516 0.15 1.008 0.00973 0.29 0.3091 0.9533 3559207 ACon1_001230 CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)C=C4CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N19 compound treatment 1.052 0.0542 1.57 1.064 0.0657 1.94 2.4833 0.9943 3559663 ACon1_001231 CC(=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N20 compound treatment 0.996 -0.00184 -0.05 0.993 -0.00527 -0.16 -0.1478 -0.8983 3559567 ACon1_001232 COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(=CC[C@@H]12)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N21 compound treatment 1.004 0.00616 0.18 1.008 0.00973 0.29 0.3296 0.9735 3558313 ACon1_001233 COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N22 compound treatment 1.008 0.0102 0.29 1.012 0.0137 0.41 0.4951 0.9875 3554671 ACon1_001234 COC(=O)C1=C2C(Oc3cc(CO)cc(O)c3C2=O)C(O)C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N23 compound treatment 1.008 0.0102 0.29 1.007 0.00873 0.26 0.3906 0.9979 3558632 ACon1_001235 C/C=C(\C)/C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 N24 compound treatment 1.021 0.0232 0.67 1.016 0.0177 0.52 0.845 0.9926 3559148 ACon1_001236 OCC1OC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)C(O[C@H]5OC[C@](O)(CO)[C@H]5O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O01 compound treatment 1.055 0.0572 1.66 1.048 0.0497 1.47 2.2102 0.9983 3559908 ACon1_001237 CC1(CO)Oc2cc(O)c3c(=O)c(coc3c2C=C1)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O02 compound treatment 1.018 0.0202 0.58 1.018 0.0197 0.58 0.8253 1.0 3558779 ACon1_001238 C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O03 compound treatment 1.008 0.0102 0.29 1.006 0.00773 0.23 0.3697 0.9923 3553208 ACon1_001239 CC(=O)c1cc(C)c(O)c(COC2OC(CO)C(O)C(O)C2O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O04 compound treatment 1.017 0.0192 0.55 1.021 0.0227 0.67 0.8676 0.9955 3558817 ACon1_001240 C[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@]2(C)CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O05 compound treatment 0.998 1.56E-4 0.0 0.99 -0.00827 -0.24 -0.1696 -0.6939 3558838 ACon1_001241 COc1cc(CCC(O)CC(=O)CCc2ccccc2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O06 compound treatment 1.052 0.0542 1.57 1.056 0.0577 1.71 2.3161 0.9991 3558830 ACon1_001242 CC(=O)OC1/C=C(/CCC=C(C)C(=O)C=CC1(C)C)\C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O07 compound treatment 1.011 0.0132 0.38 1.004 0.00573 0.17 0.3893 0.9335 3554193 ACon1_001243 CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O08 compound treatment 1.08 0.0822 2.38 1.094 0.0957 2.83 3.6839 0.9963 3558870 ACon1_001244 CC(=O)CCCCCCCc1cc(=O)c2ccccc2[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O09 compound treatment 1.039 0.0412 1.19 1.041 0.0427 1.26 1.7362 0.9996 3614735 ACon1_001245 OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O10 compound treatment 1.009 0.0112 0.32 1.019 0.0207 0.61 0.6619 0.9552 3558880 ACon1_001246 CC1OC(OC2C(O)C(O)C(OC2Oc3cc(O)c4c(=O)cc(oc4c3)c5ccc(O)c(O)c5)C(=O)O)C(O)C(O)C1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O11 mock treatment 1.005 0.00716 0.21 1.01 0.0117 0.35 0.3919 0.9697 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O12 mock treatment 1.009 0.0112 0.32 1.007 0.00873 0.26 0.4111 0.9938 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O13 compound treatment 0.98 -0.0178 -0.52 0.975 -0.0233 -0.69 -0.8518 -0.9901 3558794 ACon1_001247 CCCCCCCCCCCC(O)CC(=O)OCC(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O14 compound treatment 1.006 0.00816 0.24 1.011 0.0127 0.38 0.4333 0.9748 3555946 ACon1_001248 OC1CCC(O)(C(=O)O)C1(O)C(=O)OCc2cc(O)ccc2OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O15 compound treatment 1.012 0.0142 0.41 1.007 0.00873 0.26 0.4725 0.9752 3558871 ACon1_001249 CC(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O16 compound treatment 1.016 0.0182 0.53 1.027 0.0287 0.85 0.9725 0.9734 3558697 ACon1_001250 COC(=O)/C/1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C/C)/C)C1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O17 compound treatment 1.026 0.0282 0.82 1.02 0.0217 0.64 1.031 0.993 3558900 ACon1_001251 CCC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O18 compound treatment 1.002 0.00416 0.12 1.009 0.0107 0.32 0.3095 0.9119 3557674 ACon1_001252 OC1COC(Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O19 compound treatment 0.993 -0.00484 -0.14 0.994 -0.00427 -0.13 -0.1884 -0.9986 3558944 ACon1_001253 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O20 compound treatment 1.015 0.0172 0.5 1.017 0.0187 0.55 0.743 0.9985 3559017 ACon1_001254 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O21 compound treatment 1.013 0.0152 0.44 1.015 0.0167 0.49 0.6602 0.9982 3555821 ACon1_001255 OC(=O)C(CCCCCCOC(=O)C(=O)OCCCCCCC(C(=O)O)C(=C)C(=O)O)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O22 compound treatment 1.035 0.0372 1.08 1.041 0.0427 1.26 1.6543 0.9968 3559011 ACon1_001256 CCCCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O23 compound treatment 1.02 0.0222 0.64 1.017 0.0187 0.55 0.8454 0.9973 3558726 ACon1_001257 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c3c(O)cc(O)c4c(=O)cc(oc34)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 O24 compound treatment 1.007 0.00916 0.27 1.009 0.0107 0.32 0.4119 0.996 3557891 ACon1_001258 OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)CC(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P01 compound treatment 1.047 0.0492 1.42 1.036 0.0377 1.12 1.7955 0.9927 1104287 ACon1_001259 CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P02 compound treatment 1.011 0.0132 0.38 1.01 0.0117 0.35 0.5147 0.9989 3559023 ACon1_001260 CC(=C)C(=O)OC1CC(CO)CCC/C(=C/C2OC(=O)C(=C)C21)/CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P03 compound treatment 1.014 0.0162 0.47 1.01 0.0117 0.35 0.5762 0.9892 3558101 ACon1_001261 COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P04 compound treatment 1.011 0.0132 0.38 1.005 0.00673 0.2 0.4102 0.9542 3554885 ACon1_001262 COc1cc(ccc1O)C2Oc3c(C2CO)c(ccc3O)[C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P05 compound treatment 1.001 0.00316 0.09 0.998 -2.66E-4 -0.01 0.0591 0.644 1034727 ACon1_001263 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P06 compound treatment 1.018 0.0202 0.58 1.027 0.0287 0.85 1.0135 0.9832 3559423 ACon1_001264 OCC(Cc1ccc2OCOc2c1)C(CO)Cc3ccc4OCOc4c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P07 compound treatment 1.003 0.00516 0.15 1.009 0.0107 0.32 0.33 0.9409 1096015 ACon1_001265 CC12CC(O)CC(C)(C)C2=CC(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P08 compound treatment 1.005 0.00716 0.21 1.006 0.00773 0.23 0.3082 0.9988 1115322 ACon1_001266 COc1ccn(C)c(=O)c1C#N 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P09 compound treatment 0.993 -0.00484 -0.14 0.997 -0.00127 -0.04 -0.1257 -0.8655 3558968 ACon1_001267 O[C@@H]1Cc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5[C@H]([C@H]4O)c3c2O[C@@H]1c6ccc(O)c(O)c6)c7ccc(O)cc7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P10 compound treatment 1.005 0.00716 0.21 1.009 0.0107 0.32 0.371 0.9787 288 ACon1_001268 C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P11 mock treatment 0.989 -0.00884 -0.26 0.992 -0.00627 -0.19 -0.3121 -0.9874 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P12 mock treatment 0.995 -0.00284 -0.08 0.996 -0.00227 -0.07 -0.1056 -0.9947 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P13 compound treatment 1.011 0.0132 0.38 1.009 0.0107 0.32 0.4938 0.9959 3558980 ACon1_001269 C/C(=C\C(=O)O)/CCC1C(=C)CCC2C(C)(CO)CCCC12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P14 compound treatment 1.014 0.0162 0.47 1.009 0.0107 0.32 0.5553 0.9821 3558996 ACon1_001270 CCCCCCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P15 compound treatment 1.016 0.0182 0.53 1.024 0.0257 0.76 0.9098 0.9837 3555936 ACon1_001271 Oc1ccc(/C=C/c2cc3O[C@H]([C@@H](c3c(O)c2)c4cc5O[C@@H]([C@H](c5c(O)c4)c6cc(O)cc(O)c6)c7ccc(O)c(O)c7)c8ccc(O)cc8)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P16 compound treatment 0.99 -0.00784 -0.23 0.993 -0.00527 -0.16 -0.2707 -0.983 3559197 ACon1_001272 CO/C(=C\1/OC(=O)C=C1OC)/[C@@H]2O[C@H]2c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P17 compound treatment 1.033 0.0352 1.02 1.044 0.0457 1.35 1.6761 0.9902 3559114 ACon1_001273 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P18 compound treatment 1.019 0.0212 0.61 1.027 0.0287 0.85 1.034 0.9871 1025510 ACon1_001274 COc1ccc(cc1OC)C2OCC3(O)C(OCC23)c4ccc(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P19 compound treatment 1.033 0.0352 1.02 1.029 0.0307 0.91 1.3625 0.9984 2141039 ACon1_001275 CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P20 compound treatment 1.007 0.00916 0.27 1.013 0.0147 0.44 0.4955 0.9717 3552212 ACon1_001276 C[C@@H]([C@@H]1CC[C@@](C)(O1)C=C)C(=O)CC=C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P21 compound treatment 1.011 0.0132 0.38 1.01 0.0117 0.35 0.5147 0.9989 3552101 ACon1_001277 C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@H]13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P22 compound treatment 1.022 0.0242 0.7 1.02 0.0217 0.64 0.9491 0.9991 3558924 ACon1_001278 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P23 compound treatment 1.027 0.0292 0.84 1.024 0.0257 0.76 1.1351 0.9986 3557752 ACon1_001279 OCC1OC(Oc2cc(O)c3C(=O)C(O)C(Oc3c2)c4ccc(O)cc4)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2293 P24 compound treatment 0.994 -0.00384 -0.11 0.995 -0.00327 -0.1 -0.147 -0.9975 1102176 ACon1_001280 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A01 compound treatment 0.998 4.22E-4 0.01 1.015 0.0172 0.51 0.3673 0.7239 3555976 ACon1_001281 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A02 compound treatment 1.019 0.0214 0.62 1.016 0.0182 0.54 0.8183 0.9974 3557285 ACon1_001282 COC(=O)[C@]12Oc3cc(C)c(c(O)c3C(=O)C2=C(O)CC[C@@H]1O)c4ccc(O)c5C(=O)C6=C(O)C[C@H](C)[C@H](OC(=O)C)[C@@]6(Oc45)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A03 compound treatment 0.989 -0.00858 -0.25 0.99 -0.00784 -0.23 -0.3397 -0.9994 3554124 ACon1_001283 CCC(C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)CC)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)CC)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A04 compound treatment 1.084 0.0864 2.5 1.071 0.0732 2.16 3.2992 0.9974 3558541 ACon1_001284 OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC=C3[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A05 compound treatment 1.008 0.0104 0.3 0.995 -0.00284 -0.08 0.154 0.4914 3559091 ACon1_001285 OC1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)OC3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]1[C@@H]3OC(=O)c6cc(O)c(O)c(O)c6c7c(O)c(O)c(O)cc7C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A06 compound treatment 1.007 0.00942 0.27 0.997 -8.44E-4 -0.02 0.1753 0.6398 3559109 ACon1_001286 COc1c(O)c(O)cc2ccc3cccc(O)c3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A07 compound treatment 0.997 -5.78E-4 -0.02 0.977 -0.0208 -0.62 -0.4476 -0.726 3557604 ACon1_001287 COc1cc(O[C@@H]2O[C@H](COC3OCC(O)C(O)C3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A08 compound treatment 0.899 -0.0986 -2.85 0.921 -0.0768 -2.27 -3.6252 -0.9936 3559066 ACon1_001288 OC[C@H]1O[C@@H](Oc2ccc(COC(=O)CC(O)(CC(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)C(=O)OCc5ccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc5)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A09 compound treatment 1.017 0.0194 0.56 1.012 0.0142 0.42 0.6937 0.9894 3559055 ACon1_001289 C[C@@H]1O[C@@H](O[C@@H]2C=C(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A10 compound treatment 1.015 0.0174 0.5 1.035 0.0372 1.1 1.1336 0.9377 3559247 ACon1_001290 COc1c(C)c(O)c(C)c(O)c1C(=O)CCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A11 compound treatment 0.986 -0.0116 -0.34 0.999 0.00116 0.03 -0.2129 -0.6317 3552701 ACon1_001291 C[C@@H]1CC[C@]2(C)[C@@]3(C)CC[C@@]2(OC3=O)[C@]41C[C@@H](OC4=O)c5ccoc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A12 compound treatment 0.94 -0.0576 -1.67 0.956 -0.0418 -1.24 -2.0539 -0.9892 3559273 ACon1_001292 COC(=O)[C@H](OC(=O)C)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H](C3=C)[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A13 mock treatment 0.992 -0.00558 -0.16 0.981 -0.0168 -0.5 -0.4664 -0.8908 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A14 mock treatment 0.97 -0.0276 -0.8 0.977 -0.0208 -0.62 -1.0005 -0.9918 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A15 compound treatment 0.98 -0.0176 -0.51 0.987 -0.0108 -0.32 -0.5867 -0.9752 2097145 ACon1_001293 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(CC(C)C)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A16 compound treatment 0.996 -0.00158 -0.05 1.02 0.0222 0.66 0.4309 0.6562 3559137 ACon1_001294 O=C(CCc1ccccc1)/C=C/CCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A17 compound treatment 1.022 0.0244 0.71 1.01 0.0122 0.36 0.7543 0.9507 3552685 ACon1_001295 C[C@@H]1CC(=O)C2=C(C1)C[C@@H](O)[C@]3(O)[C@@H](O)c4c(O)cccc4C(=O)C23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A18 compound treatment 1.025 0.0274 0.79 1.019 0.0212 0.63 1.0039 0.993 3559173 ACon1_001296 COc1cc(OC)c(cc1OC)C(O)C(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A19 compound treatment 1.003 0.00542 0.16 1.0 0.00216 0.06 0.1561 0.9212 3189183 ACon1_001297 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A20 compound treatment 0.991 -0.00658 -0.19 1.006 0.00816 0.24 0.0358 0.1165 3559107 ACon1_001298 CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CCC(C)(C=C3CCC12)C(=O)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A21 compound treatment 0.988 -0.00958 -0.28 0.998 1.56E-4 0.0 -0.1929 -0.6952 3557672 ACon1_001299 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A22 compound treatment 1.006 0.00842 0.24 0.987 -0.0108 -0.32 -0.0542 -0.1346 3559201 ACon1_001300 COc1cc(cc(OC)c1OC)C2OCC3C(OCC23)c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A23 compound treatment 1.037 0.0394 1.14 1.031 0.0332 0.98 1.5005 0.9971 2089505 ACon1_001301 Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 A24 compound treatment 1.009 0.0114 0.33 1.006 0.00816 0.24 0.4044 0.9879 3557367 ACon1_001302 CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)C(O)C[C@@]42C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B01 compound treatment 0.989 -0.00858 -0.25 0.99 -0.00784 -0.23 -0.3397 -0.9994 3553926 ACon1_001303 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B02 compound treatment 0.984 -0.0136 -0.39 1.007 0.00916 0.27 -0.0866 -0.1815 3614774 ACon1_001304 CCCC(O)c1c(O)cccc1C(=O)CC(O)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B03 compound treatment 0.982 -0.0156 -0.45 0.996 -0.00184 -0.05 -0.3576 -0.7868 3553162 ACon1_001305 C[C@H]1OC(=O)c2c(O)c(C(=O)O)c(O)c(C)c2[C@@H]1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B04 compound treatment 1.037 0.0394 1.14 1.05 0.0522 1.54 1.8977 0.9891 3614776 ACon1_001306 COc1ccc(/C=C/c2cc(OC)cc3OC(C)(C)CCc23)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B05 compound treatment 0.978 -0.0196 -0.57 0.973 -0.0248 -0.73 -0.9203 -0.9918 3614779 ACon1_001307 C/C=C(/C)\C(=O)O[C@H]1[C@H](OC(=O)/C(=C\C)/C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(OC7OC(C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2CC1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B06 compound treatment 0.978 -0.0196 -0.57 0.963 -0.0348 -1.03 -1.1294 -0.9604 1032451 ACon1_001308 CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B07 compound treatment 0.987 -0.0106 -0.31 0.991 -0.00684 -0.2 -0.3597 -0.9797 3614784 ACon1_001309 CC(C)C1=C(O)C(=O)C2=C([C@@H](CC3C(C)(C)CCC[C@@]32CO)OC(=O)C)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B08 compound treatment 1.011 0.0134 0.39 1.006 0.00816 0.24 0.4454 0.9736 3614787 ACon1_001310 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]([C@H](C)OC(=O)C)[C@@H]1CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B09 compound treatment 0.999 0.00142 0.04 0.975 -0.0228 -0.68 -0.4485 -0.6628 3614791 ACon1_001311 CCC(C)CCC(O)C1=C(C)C(O)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B10 compound treatment 0.992 -0.00558 -0.16 1.002 0.00416 0.12 -0.0273 -0.1347 3554503 ACon1_001312 CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B11 compound treatment 0.982 -0.0156 -0.45 0.988 -0.00984 -0.29 -0.5248 -0.9775 3614794 ACon1_001313 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B12 compound treatment 1.023 0.0254 0.74 1.0 0.00216 0.06 0.5657 0.7655 3614796 ACon1_001314 COc1c(C)c(OC/C=C(\C)/C(=O)OCC(O)C(O)C(O)C(O)CO)cc(CO)c1CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B13 mock treatment 0.975 -0.0226 -0.65 0.989 -0.00884 -0.26 -0.6473 -0.9191 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B14 mock treatment 0.982 -0.0156 -0.45 0.984 -0.0138 -0.41 -0.6084 -0.9988 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B15 compound treatment 0.979 -0.0186 -0.54 0.981 -0.0168 -0.5 -0.7326 -0.9993 3614799 ACon1_001315 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B16 compound treatment 1.02 0.0224 0.65 1.019 0.0212 0.63 0.9015 0.9998 3614803 ACon1_001316 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@@](C[C@@H]5OC)(OC)C6[C@@H](O)C32)[C@@H]61 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B17 compound treatment 0.99 -0.00758 -0.22 1.0 0.00216 0.06 -0.1101 -0.4818 3614807 ACon1_001317 COc1cc(c(OC)c2oc3cc(O)c(O)cc3c12)c4ccc(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B18 compound treatment 1.035 0.0374 1.08 1.026 0.0282 0.83 1.355 0.9915 3614809 ACon1_001318 COc1ccc2nccc(C(O)C3CC4CC[N+]3([O-])CC4C=C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B19 compound treatment 1.045 0.0474 1.37 1.047 0.0492 1.45 1.9988 0.9996 3614812 ACon1_001319 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(CCC6(CCC54C)C(=O)OC7OC(CO)C(O)C(O)C7O)C(=O)O)C2(C)CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B20 compound treatment 0.996 -0.00158 -0.05 1.002 0.00416 0.12 0.0546 0.4163 3614813 ACon1_001320 CCN1C[C@]2(COC)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](OC)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)CC32)[C@H]16 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B21 compound treatment 0.993 -0.00458 -0.13 1.005 0.00716 0.21 0.0559 0.2237 3558920 ACon1_001321 Oc1cc(cc(O)c1O)C(=O)O[C@@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@H]3[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@H]2OC(=O)c7cc(O)c(O)c(O)c7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B22 compound treatment 0.994 -0.00358 -0.1 0.995 -0.00284 -0.08 -0.1327 -0.9946 1099690 ACon1_001322 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5ccc(OC)cc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B23 compound treatment 1.015 0.0174 0.5 1.021 0.0232 0.68 0.8409 0.9887 3614819 ACon1_001323 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]8OC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 B24 compound treatment 0.999 0.00142 0.04 1.003 0.00516 0.15 0.1369 0.867 3614822 ACon1_001324 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3O)c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C01 compound treatment 1.007 0.00942 0.27 1.006 0.00816 0.24 0.3635 0.9981 3180147 ACon1_001325 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C02 compound treatment 1.018 0.0204 0.59 1.03 0.0322 0.95 1.0905 0.9739 3558915 ACon1_001326 Oc1ccc(cc1)C2Oc3cc(O)cc(O)c3C(=O)C2C4C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C03 compound treatment 1.011 0.0134 0.39 1.005 0.00716 0.21 0.4245 0.9591 3559041 ACon1_001327 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C04 compound treatment 1.049 0.0514 1.49 1.056 0.0582 1.72 2.2689 0.9974 3559084 ACon1_001328 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c(C(=O)c3ccc(O)cc3)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C05 compound treatment 1.07 0.0724 2.1 1.063 0.0652 1.93 2.8453 0.9991 3554661 ACon1_001329 COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc(O)cc3)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C06 compound treatment 1.015 0.0174 0.5 1.009 0.0112 0.33 0.59 0.9788 3558716 ACon1_001330 COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C07 compound treatment 1.016 0.0184 0.53 1.008 0.0102 0.3 0.5896 0.963 3552084 ACon1_001331 C/C=C/C=C/C(=O)N1CC[C@]23[C@@H]1N4CC[C@]3([C@H]5Nc6ccccc62)c7c(cccc7[C@@H]4C8OC8(C)C)N5C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C08 compound treatment 1.007 0.00942 0.27 1.016 0.0182 0.54 0.5725 0.9508 3559229 ACon1_001332 OC[C@H]1O[C@@H](Oc2ccc(cc2)c3cc(=O)c4c(O)cc(O)cc4o3)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C09 compound treatment 1.023 0.0254 0.74 1.006 0.00816 0.24 0.6911 0.8921 3559102 ACon1_001333 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C3(C)C)O[C@@H]([C@H]2O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C10 compound treatment 1.018 0.0204 0.59 1.0 0.00216 0.06 0.4633 0.7788 3559180 ACon1_001334 C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C=CC7=C8CC(C)(C)CC[C@]8(CO)CC[C@]76C)[C@]4(C)CO)O[C@@H]3CO)[C@@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C11 mock treatment 0.995 -0.00258 -0.07 1.005 0.00716 0.21 0.0968 0.4315 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C12 mock treatment 1.013 0.0154 0.45 1.011 0.0132 0.39 0.5909 0.9976 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C13 compound treatment 1.016 0.0184 0.53 1.018 0.0202 0.6 0.7986 0.9985 3558601 ACon1_001335 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C14 compound treatment 0.998 4.22E-4 0.01 1.005 0.00716 0.21 0.1583 0.7467 3557383 ACon1_001336 CO[C@H]1C(O[C@@H]2C[C@H]3O[C@@H]([C@@H](O)[C@H](OC(=O)/C(=C/C)/CO)[C@]3(O)O[C@H]12)C(=O)OC)n4cnc5c(N)ncnc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C15 mock treatment 1.007 0.00942 0.27 1.004 0.00616 0.18 0.3216 0.9806 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C16 mock treatment 0.99 -0.00758 -0.22 0.984 -0.0138 -0.41 -0.4446 -0.9573 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C17 compound treatment 1.094 0.0964 2.79 1.067 0.0692 2.04 3.4204 0.9883 3555977 ACon1_001337 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C18 compound treatment 1.007 0.00942 0.27 0.993 -0.00484 -0.14 0.0917 0.2975 3559187 ACon1_001338 CC(C)C[C@@](O)(CC(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C19 compound treatment 1.032 0.0344 1.0 1.016 0.0182 0.54 1.0845 0.9578 3614831 ACon1_001339 C[C@H]1O[C@@H](OC/2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(=O)O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/CC\C=C\C=C\C=C\C=C2)[C@@H](O)[C@@H](N)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C20 compound treatment 1.056 0.0584 1.69 1.043 0.0452 1.34 2.1404 0.9931 3559183 ACon1_001340 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)cc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C21 compound treatment 1.01 0.0124 0.36 1.009 0.0112 0.33 0.4876 0.9991 3558289 ACon1_001341 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)O[C@@]%101CCC(C)CO%10 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C22 compound treatment 1.02 0.0224 0.65 1.03 0.0322 0.95 1.1314 0.9827 3559203 ACon1_001342 C[C@H]1[C@@H]2CC[C@]3(C)O[C@]4(C)C(O)[C@@H]5[C@H]6[C@H](C(=C7[C@@H]6C[C@@](C)(O)C[C@H]8[C@H](C)C(=O)O[C@@H]87)C)C4(C53)[C@H]2OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C23 compound treatment 1.007 0.00942 0.27 1.012 0.0142 0.42 0.4889 0.9785 3554240 ACon1_001343 CCCCC/C=C\C/C=C\C(O)CCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 C24 compound treatment 1.048 0.0504 1.46 1.031 0.0332 0.98 1.7257 0.9812 3555026 ACon1_001344 COc1cc2[C@@H]3CCN4CC=C[C@]56CC[C@H]3[C@]64N(C(=O)C5)c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D01 compound treatment 1.02 0.0224 0.65 1.001 0.00316 0.09 0.5251 0.8005 3553596 ACon1_001345 CC(C)C1NC(=O)/C(=C/c2c[nH]cn2)/NC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D02 compound treatment 1.025 0.0274 0.79 1.035 0.0372 1.1 1.3384 0.9873 3614835 ACon1_001346 OCc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D03 compound treatment 1.002 0.00442 0.13 1.001 0.00316 0.09 0.1565 0.9879 3559559 ACon1_001347 C[C@@H]1C2[C@@H](CC(C)C(=O)C/C=C(\C)/C[C@@H]2O)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D04 compound treatment 1.029 0.0314 0.91 1.023 0.0252 0.74 1.1694 0.995 3614837 ACon1_001348 C[C@H]1C2[C@H](CC3C4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]8OC(=O)C)[C@]5(C)C4CC[C@]23C)O[C@]91OCC(=C)[C@H](OC%10OC(C)C(O)C(O)C%10O)[C@@H]9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D05 compound treatment 1.012 0.0144 0.42 1.011 0.0132 0.39 0.5704 0.9994 3614840 ACon1_001349 OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D06 compound treatment 0.993 -0.00458 -0.13 0.998 1.56E-4 0.0 -0.0905 -0.6821 3614842 ACon1_001350 COc1cc(OC)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(OC)c2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D07 compound treatment 1.075 0.0774 2.24 1.067 0.0692 2.04 3.0313 0.9989 1054271 ACon1_001351 COc1ccc(cc1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D08 compound treatment 1.032 0.0344 1.0 1.021 0.0232 0.68 1.189 0.9832 3614846 ACon1_001352 CC/C=C/c1ccc(C)cc1\C=C\CCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D09 compound treatment 1.027 0.0294 0.85 1.035 0.0372 1.1 1.3793 0.9921 3614849 ACon1_001353 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D10 compound treatment 1.043 0.0454 1.32 1.035 0.0372 1.1 1.707 0.996 3614853 ACon1_001354 CCC(O)C(O)/C=C\C/C=C\CCCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D11 mock treatment 1.005 0.00742 0.21 0.997 -8.44E-4 -0.02 0.1343 0.6209 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D12 mock treatment 1.01 0.0124 0.36 0.995 -0.00284 -0.08 0.1949 0.5276 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D13 compound treatment 0.999 0.00142 0.04 1.013 0.0152 0.45 0.346 0.7688 3614858 ACon1_001355 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C2C(C(C2c3ccc(O)c(O)c3)c4ccc(O)c(O)c4)C(=O)OC(Cc5ccc(O)c(O)c5)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D14 compound treatment 1.007 0.00942 0.27 1.016 0.0182 0.54 0.5725 0.9508 3614860 ACon1_001356 OC/C=C\1/CN2CC[C@]34[C@@H]2C[C@@H]1[C@@H]5[C@@H]4N(C(=O)CC5O)c6ccccc63 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D15 mock treatment 0.988 -0.00958 -0.28 0.996 -0.00184 -0.05 -0.2347 -0.8302 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D16 mock treatment 1.012 0.0144 0.42 1.005 0.00716 0.21 0.4449 0.9503 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D17 compound treatment 1.019 0.0214 0.62 1.014 0.0162 0.48 0.7765 0.9917 3614863 ACon1_001357 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D18 compound treatment 1.021 0.0234 0.68 1.01 0.0122 0.36 0.7338 0.9559 1099692 ACon1_001358 CCC1C2N3CCC24C(=C(C1CC3)C(=O)OC)Nc5ccccc54 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D19 compound treatment 1.025 0.0274 0.79 1.016 0.0182 0.54 0.9411 0.9818 3614868 ACon1_001359 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C1=CC(=O)C(C)CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D20 compound treatment 1.069 0.0714 2.07 1.071 0.0732 2.16 2.992 0.9998 3614872 ACon1_001360 CCC1CC2CC3(C1N(CCc4c3[nH]c5ccc(OC)cc45)C2=O)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D21 compound treatment 1.021 0.0234 0.68 1.02 0.0222 0.66 0.9429 0.9998 3614874 ACon1_001361 CC(C1CC(O)C(C)(C)O1)C2CC[C@@]3(C)C4CC[C@H]5C(C)C(CC[C@]65C[C@@]46CC[C@]23C)OC7OC(COC(=O)C)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(OC%10OC(C)C(O)C(O)C%10O)C8O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D22 compound treatment 1.039 0.0414 1.2 1.029 0.0312 0.92 1.4996 0.9915 3614877 ACon1_001362 CC(C)C(NC=O)C(=O)N1CCC2Oc3ccc(/C=C\NC(=O)C(Cc4ccccc4)NC(=O)C21)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D23 compound treatment 1.001 0.00342 0.1 1.013 0.0152 0.45 0.3869 0.8431 3614881 ACon1_001363 CO[C@H]1[C@H](O)[C@@H](O)[C@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)O[C@@H]1CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 D24 compound treatment 1.033 0.0354 1.03 1.022 0.0242 0.71 1.2304 0.9843 3614885 ACon1_001364 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)[N+]4([O-])C\C5=C\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E01 mock treatment 1.016 0.0184 0.53 1.016 0.0182 0.54 0.7568 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E02 mock treatment 1.011 0.0134 0.39 1.021 0.0232 0.68 0.759 0.964 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E03 compound treatment 1.023 0.0254 0.74 1.024 0.0262 0.77 1.0674 0.9997 3559005 ACon1_001365 CC1OC(O[C@H]2[C@@H](C)O[C@@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(C=O)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](OC%11OC(CO)C(O)C(O)C%11O)[C@H]2O)C(O)C(O)C1OC%12OCC(O)C(O)C%12O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E04 compound treatment 1.044 0.0464 1.34 1.03 0.0322 0.95 1.6229 0.9856 3472823 ACon1_001366 COc1ccc(cc1)C(C)C(=O)c2ccc(O)cc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E05 compound treatment 1.015 0.0174 0.5 1.011 0.0132 0.39 0.6318 0.9917 3554702 ACon1_001367 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c(Cl)c(C)c(Cl)c2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E06 compound treatment 1.039 0.0414 1.2 1.041 0.0432 1.28 1.7505 0.9995 3559119 ACon1_001368 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E07 compound treatment 1.008 0.0104 0.3 1.016 0.0182 0.54 0.593 0.9629 3558966 ACon1_001369 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@H]1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E08 compound treatment 1.021 0.0234 0.68 1.015 0.0172 0.51 0.8383 0.9897 3559152 ACon1_001370 OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)[C@H](OC(=O)c4ccccc4)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E09 mock treatment 1.013 0.0154 0.45 1.0 0.00216 0.06 0.3609 0.7999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E10 mock treatment 1.006 0.00842 0.24 1.013 0.0152 0.45 0.4893 0.9591 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E11 compound treatment 1.006 0.00842 0.24 0.992 -0.00584 -0.17 0.0503 0.1683 3554750 ACon1_001371 COC1=CC(=O)O[C@@H](CCc2ccc3OCOc3c2)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E12 compound treatment 1.019 0.0214 0.62 1.023 0.0252 0.74 0.9646 0.9959 3558916 ACon1_001372 CC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(OC3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)C[C@@H](O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E13 compound treatment 1.013 0.0154 0.45 1.017 0.0192 0.57 0.7163 0.9931 3555404 ACon1_001373 CON1c2ccccc2[C@@]3(C=C(O)C(=O)N4/C(=C/c5c[nH]cn5)/C(=O)N[C@]143)C(C)(C)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E14 compound treatment 1.044 0.0464 1.34 1.034 0.0362 1.07 1.7065 0.9936 3558010 ACon1_001374 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC4OC(CO)C(O)C(O)C4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E15 compound treatment 1.029 0.0314 0.91 1.013 0.0152 0.45 0.9603 0.9467 3554188 ACon1_001375 CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E16 compound treatment 0.937 -0.0606 -1.75 0.939 -0.0588 -1.74 -2.4708 -1.0 3557363 ACon1_001376 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)[C@H](O)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E17 mock treatment 1.0 0.00242 0.07 1.006 0.00816 0.24 0.2201 0.8765 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E18 mock treatment 0.999 0.00142 0.04 1.001 0.00316 0.09 0.0951 0.9324 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E19 compound treatment 1.022 0.0244 0.71 1.024 0.0262 0.77 1.047 0.999 1001646 ACon1_001377 CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@@H]3OC(=O)C)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E20 compound treatment 1.026 0.0284 0.82 1.022 0.0242 0.71 1.0871 0.9975 3557369 ACon1_001378 CC1(C[C@@H](O)[C@H]2C3[C@H]1O)C2(C)CCC[C@]3(C)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E21 compound treatment 0.988 -0.00958 -0.28 0.993 -0.00484 -0.14 -0.2974 -0.9527 3553566 ACon1_001379 CC(C)c1cc2CCC3C(C)(COC(=O)C)C[C@H](O)C[C@]3(C)c2cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E22 compound treatment 1.01 0.0124 0.36 1.004 0.00616 0.18 0.3831 0.9502 3558597 ACon1_001380 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)C2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E23 compound treatment 1.017 0.0194 0.56 1.024 0.0262 0.77 0.9446 0.9878 3553861 ACon1_001381 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C3COC(=O)[C@@]32O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 E24 compound treatment 1.02 0.0224 0.65 1.007 0.00916 0.27 0.6506 0.9248 3557439 ACon1_001382 OC(=O)C[C@@H](NCCN[C@H](CC(=O)O)C(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F01 mock treatment 1.015 0.0174 0.5 1.011 0.0132 0.39 0.6318 0.9917 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F02 mock treatment 1.007 0.00942 0.27 1.01 0.0122 0.36 0.4471 0.9908 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F03 compound treatment 1.031 0.0334 0.97 1.03 0.0322 0.95 1.3567 1.0 3559574 ACon1_001383 C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F04 compound treatment 1.006 0.00842 0.24 1.009 0.0112 0.33 0.4057 0.989 3614899 ACon1_001384 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F05 compound treatment 1.06 0.0624 1.81 1.03 0.0322 0.95 1.9506 0.955 3614903 ACon1_001385 C/C=C(\C)/C(=O)OC1C(OC(=O)\C=C(\C)/CC(=O)O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(=O)O)C(C)(C)C5CCC43C)C2CC1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F06 compound treatment 1.002 0.00442 0.13 1.013 0.0152 0.45 0.4074 0.8742 2119735 ACon1_001386 C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F07 compound treatment 1.006 0.00842 0.24 1.017 0.0192 0.57 0.573 0.9291 3614907 ACon1_001387 CCCCCCCC(O)/C=C\C(O)CCC(O)CCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F08 compound treatment 1.01 0.0124 0.36 1.003 0.00516 0.15 0.3622 0.927 3614911 ACon1_001388 COc1cc(ccc1O)C2OCC3(OC4OC(CO)C(O)C(O)C4O)C(OCC23)c5ccc(O)c(OC)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F09 mock treatment 1.014 0.0164 0.48 1.015 0.0172 0.51 0.695 0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F10 mock treatment 1.005 0.00742 0.21 1.016 0.0182 0.54 0.5316 0.9193 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F11 compound treatment 1.048 0.0504 1.46 1.048 0.0502 1.48 2.0811 1.0 3614913 ACon1_001389 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)CCC(=O)C4(C)C3C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F12 compound treatment 1.068 0.0704 2.04 1.026 0.0282 0.83 2.0308 0.9219 3614916 ACon1_001390 COC(=O)C[C@H]1/C(=C/C)/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F13 compound treatment 1.039 0.0414 1.2 1.033 0.0352 1.04 1.5832 0.9975 3614920 ACon1_001391 CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C(CO)[C@]2(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F14 compound treatment 1.017 0.0194 0.56 1.007 0.00916 0.27 0.5892 0.9438 3614922 ACon1_001392 OC/C=C\1/CN2CCC3(C2CC1C4=CCC(=O)N5C43)c6ccccc56 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F15 compound treatment 1.011 0.0134 0.39 1.012 0.0142 0.42 0.5708 0.9993 3614924 ACon1_001393 CC(C)CCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F16 compound treatment 1.041 0.0434 1.26 1.037 0.0392 1.16 1.7078 0.9991 1244529 ACon1_001394 CN1CCc2cc3OCOc3c4-c5ccccc5CC1c24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F17 mock treatment 1.015 0.0174 0.5 1.01 0.0122 0.36 0.6109 0.9862 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F18 mock treatment 1.017 0.0194 0.56 0.986 -0.0118 -0.35 0.1501 0.2266 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F19 compound treatment 0.995 -0.00258 -0.07 1.006 0.00816 0.24 0.1177 0.4663 3614927 ACon1_001395 COc1cc-2c(C[C@H]3COC(=O)[C@@H]3Cc4c(OC)c(OC)c(OC)cc42)c(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F20 compound treatment 1.025 0.0274 0.79 1.015 0.0172 0.51 0.9202 0.9765 3614931 ACon1_001396 CC(=O)N1CCC(CCC(=O)c2ccnc3ccccc23)C(C1)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F21 compound treatment 1.016 0.0184 0.53 1.008 0.0102 0.3 0.5896 0.963 3614932 ACon1_001397 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=C[C@@H]4C(=CC[C@H]5[C@]6(C)C[C@@H](O)[C@H]([C@@](C)(OC(=O)C)C(=O)/C=C/C(C)(C)O)[C@@]6(C)CC(=O)[C@]54C)C(C)(C)C3=O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F22 compound treatment 1.013 0.0154 0.45 1.013 0.0152 0.45 0.6327 1.0 3614935 ACon1_001398 CCN1C[C@]2(COC)CC[C@H](O)[C@]3(C4C[C@H]5[C@@H](OC(=O)C)C4[C@@](C[C@@H]5OC)(OC(=O)C)C6[C@H](OC)C32)[C@@H]61 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F23 compound treatment 1.018 0.0204 0.59 1.022 0.0242 0.71 0.9232 0.9956 3554229 ACon1_001399 CCCc1c(C(=O)O)c(O)cc2C(=O)c3cccc(O)c3C(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 F24 compound treatment 1.023 0.0254 0.74 1.032 0.0342 1.01 1.2347 0.9879 3614940 ACon1_001400 CN1CCc2cc3OCOc3cc2C4OC(O)c5c6OCOc6ccc5C41 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G01 compound treatment 0.995 -0.00258 -0.07 1.007 0.00916 0.27 0.1386 0.4937 3554156 ACon1_001401 CCC(C)C1NC(=O)C(CCC(=O)O)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(OC(=O)C(CCC(=O)O)N(C)C(=O)C(NC(=O)C4CCCCN4C1=O)C(C)C)C(C)CC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G02 compound treatment 1.003 0.00542 0.16 1.014 0.0162 0.48 0.4488 0.8926 3558958 ACon1_001402 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G03 mock treatment 0.987 -0.0106 -0.31 1.004 0.00616 0.18 -0.0879 -0.2467 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G04 mock treatment 1.01 0.0124 0.36 1.004 0.00616 0.18 0.3831 0.9502 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G05 compound treatment 1.018 0.0204 0.59 1.022 0.0242 0.71 0.9232 0.9956 3557320 ACon1_001403 CN/1C(=O)c2ccccc2NC(=O)\C1=C/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G06 compound treatment 0.934 -0.0636 -1.84 0.937 -0.0608 -1.8 -2.574 -0.9999 3559121 ACon1_001404 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(OC(=O)c4cc(O)c(O)c(O)c4)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G07 compound treatment 1.01 0.0124 0.36 1.018 0.0202 0.6 0.6758 0.9708 3559035 ACon1_001405 OC[C@@]12O[C@H]2[C@@H](O)[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G08 compound treatment 0.999 0.00142 0.04 1.014 0.0162 0.48 0.3669 0.7652 3559216 ACon1_001406 CC(=CCC/C(=C/Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G09 compound treatment 1.001 0.00342 0.1 1.0 0.00216 0.06 0.1152 0.9772 3559155 ACon1_001407 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)C[C@@H](O)[C@@]31O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G10 compound treatment 1.014 0.0164 0.48 1.026 0.0282 0.83 0.9249 0.9647 1089114 ACon1_001408 COc1cc(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G11 compound treatment 0.999 0.00142 0.04 0.994 -0.00384 -0.11 -0.0512 -0.4239 3553711 ACon1_001409 CC(CCCc1ccoc1)C2CC=C(CCC=C(C)C)C(=O)O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G12 compound treatment 1.013 0.0154 0.45 0.976 -0.0218 -0.65 -0.1409 -0.1794 3557253 ACon1_001410 CC(=CCC/C(=C/CC[C@]1(C)Oc2c3CNC(=O)c3cc(O)c2C[C@@H]1O)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G13 compound treatment 1.009 0.0114 0.33 0.991 -0.00684 -0.2 0.0908 0.2342 3554972 ACon1_001411 COc1cc(O)c(CCO)c2O[C@H](C)CC(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G14 compound treatment 1.008 0.0104 0.3 1.003 0.00516 0.15 0.3212 0.95 3557300 ACon1_001412 CC(O)CC1CCC(O1)C(C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G15 compound treatment 1.026 0.0284 0.82 1.014 0.0162 0.48 0.9198 0.9665 3553811 ACon1_001413 CC[C@H](O)C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G16 compound treatment 0.988 -0.00958 -0.28 0.996 -0.00184 -0.05 -0.2347 -0.8302 3558027 ACon1_001414 C[C@@H]1O[C@@H](O[C@@H]2C=C(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](OC(=O)/C=C/c5ccc(O)cc5)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G17 compound treatment 1.158 0.16 4.65 1.136 0.138 4.08 6.1735 0.9979 3553505 ACon1_001415 CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G18 compound treatment 1.007 0.00942 0.27 1.011 0.0132 0.39 0.468 0.985 3557922 ACon1_001416 CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G19 mock treatment 1.025 0.0274 0.79 1.01 0.0122 0.36 0.8157 0.9358 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G20 mock treatment 1.006 0.00842 0.24 1.0 0.00216 0.06 0.2175 0.8629 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G21 compound treatment 1.021 0.0234 0.68 1.013 0.0152 0.45 0.7965 0.9797 3552815 ACon1_001417 C[C@]1(C[C@]2(O)O[C@@H]3O1)[C@]4(C[C@@H]2[C@@]34COC(=O)c5ccccc5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G22 compound treatment 0.984 -0.0136 -0.39 0.999 0.00116 0.03 -0.2539 -0.6432 1109010 ACon1_001418 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5cc(OC)c(OC)c(OC)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G23 compound treatment 1.023 0.0254 0.74 1.005 0.00716 0.21 0.6702 0.8749 3557629 ACon1_001419 COc1cc(ccc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC4OC(CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(O)C(O)C4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 G24 compound treatment 1.008 0.0104 0.3 1.015 0.0172 0.51 0.5721 0.9692 3553937 ACon1_001420 CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H01 compound treatment 1.004 0.00642 0.19 1.03 0.0322 0.95 0.8038 0.8297 3555028 ACon1_001421 COc1cc2C(O)CCC(=O)c2c(O)c1CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H02 compound treatment 1.031 0.0334 0.97 1.059 0.0612 1.81 1.963 0.9571 3614951 ACon1_001422 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H03 mock treatment 1.009 0.0114 0.33 1.008 0.0102 0.3 0.4462 0.9988 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H04 mock treatment 0.993 -0.00458 -0.13 1.014 0.0162 0.48 0.244 0.4922 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H05 compound treatment 1.001 0.00342 0.1 1.009 0.0112 0.33 0.3033 0.8807 1074963 ACon1_001423 Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(=C7C(=O)c8c(O)cc(C)cc8C(=O)C647)O)C53C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H06 compound treatment 1.016 0.0184 0.53 1.007 0.00916 0.27 0.5687 0.9505 3614955 ACon1_001424 CCCCCC(CC(O)CC(=O)OC(CCCCC)CC(CC(=O)O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)OC3OC(CO)C(O)C(O)C3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H07 compound treatment 0.999 0.00142 0.04 1.023 0.0252 0.74 0.555 0.7451 3614956 ACon1_001425 C[C@H]1OC(=O)[C@@]2(C(=C)[C@]3(C)C[C@@H]4C(=C)[C@]5(CC[C@]42C)C=CC(=O)OC5(C)C)[C@@]1(O)C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H08 compound treatment 1.009 0.0114 0.33 1.042 0.0442 1.31 1.1571 0.8591 3614960 ACon1_001426 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H09 compound treatment 1.043 0.0454 1.32 1.033 0.0352 1.04 1.6652 0.9932 3614965 ACon1_001427 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O)[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@H]1O[C@@H]%10OC[C@@H](O)[C@H](O[C@@H]%11OC[C@H](O)[C@H](O)[C@H]%11O)[C@H]%10O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H10 compound treatment 0.992 -0.00558 -0.16 0.984 -0.0138 -0.41 -0.4037 -0.9173 3614969 ACon1_001428 C[C@H]1OC(=O)CC[C@@H](O)/C=C/[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H11 compound treatment 0.99 -0.00758 -0.22 1.005 0.00716 0.21 -0.0056 -0.0183 3614972 ACon1_001429 COc1cc(ccc1O)C2OC(c3ccc(O)c(OC)c3)C(C)(O)C2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H12 compound treatment 1.048 0.0504 1.46 1.047 0.0492 1.45 2.0602 1.0 3614974 ACon1_001430 C[C@@H]1CCC2C(C)(C)[C@H](OC(=O)C)[C@@H](O)C[C@]2(C)C31Cc4c(O3)c5CN([C@@H](CCC(=O)O)C(=O)O)C(=O)c5cc4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H13 compound treatment 1.042 0.0444 1.29 1.047 0.0492 1.45 1.9374 0.9982 3559258 ACon1_001431 CC1OC(OC2C(O)C(CO)OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OCC(OC9OCC(O)C(O)C9O)C(O)C8O)C3(C)C)C2O)C(O)C(OC%10OCC(O)(CO)C%10O)C1OC%11OCC(O)(CO)C%11O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H14 compound treatment 1.0 0.00242 0.07 1.005 0.00716 0.21 0.1992 0.8937 3614977 ACon1_001432 COc1cc2N3C4C5C(CC3=O)OCC=C6CN(C)CCC4(C(=O)CC56)c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H15 compound treatment 1.032 0.0344 1.0 1.028 0.0302 0.89 1.3354 0.9984 3614978 ACon1_001433 CC1CC(=O)C2=C(O1)OC3(C)CCC4C(C)(C)C(O)CC(O)C4(C)C3C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H16 compound treatment 1.021 0.0234 0.68 1.057 0.0592 1.75 1.7164 0.9149 3614980 ACon1_001434 OC(C1CC2CC[N+]1([O-])CC2C=C)c3ccnc4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H17 compound treatment 0.997 -5.78E-4 -0.02 1.017 0.0192 0.57 0.3887 0.6859 3614982 ACon1_001435 CC1OC(OC2C(O)C(OC3OC(C)C(OC(=O)C)C(O)C3O)C(CO)OC2OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](OC9OC(CO)C(OC%10OC(CO)C(OC%11OCC(O)C(O)C%11O)C(O)C%10O)C(O)C9O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC4)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H18 compound treatment 1.038 0.0404 1.17 1.02 0.0222 0.66 1.291 0.9624 3614986 ACon1_001436 C=CC1CN(CCC1CCC(=O)c2ccnc3ccccc23)C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H19 mock treatment 1.013 0.0154 0.45 0.998 1.56E-4 0.0 0.3191 0.7144 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H20 mock treatment 1.013 0.0154 0.45 1.007 0.00916 0.27 0.5072 0.9712 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H21 compound treatment 0.983 -0.0146 -0.42 0.993 -0.00484 -0.14 -0.3998 -0.8968 3614988 ACon1_001437 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C=CC(C3=O)c5ccc(O)c(O)c45)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H22 compound treatment 1.102 0.104 3.02 1.136 0.138 4.08 5.0267 0.9891 3614991 ACon1_001438 C=Cc1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H23 compound treatment 1.018 0.0204 0.59 1.004 0.00616 0.18 0.5469 0.8838 3614994 ACon1_001439 CC1OC(O[C@H]2[C@@H](O)C[C@]3(C)C4CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]5(C)[C@]4(C)C[C@@H](O)C3[C@]2(C)CO)C(=O)OC7OC(C)C(OC8OCC(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(O)C8O)C(O)C7O)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 H24 compound treatment 1.03 0.0324 0.94 1.046 0.0482 1.42 1.6707 0.9796 3614997 ACon1_001440 CN1Cc2cc3OCOc3cc2CCC(=O)c4cc5OCOc5cc4C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I01 compound treatment 0.991 -0.00658 -0.19 0.999 0.00116 0.03 -0.1105 -0.5711 3552717 ACon1_001441 C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@]31Cc4c(O3)c5CN([C@@H](CCC(=O)O)C(=O)O)C(=O)c5cc4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I02 compound treatment 1.045 0.0474 1.37 1.026 0.0282 0.83 1.5598 0.9712 3559086 ACon1_001442 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3(C)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I03 compound treatment 1.019 0.0214 0.62 1.005 0.00716 0.21 0.5883 0.8975 3559083 ACon1_001443 OCC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I04 compound treatment 0.985 -0.0126 -0.36 0.993 -0.00484 -0.14 -0.3588 -0.9168 3559093 ACon1_001444 COc1cc(ccc1O)[C@@H]2[C@@H](CO)[C@](O)(CO)Cc3cc(OC)c(O)cc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I05 mock treatment 0.986 -0.0116 -0.34 0.989 -0.00884 -0.26 -0.422 -0.9924 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I06 mock treatment 0.979 -0.0186 -0.54 0.99 -0.00784 -0.23 -0.5444 -0.9292 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I07 compound treatment 0.985 -0.0126 -0.36 0.987 -0.0108 -0.32 -0.4843 -0.998 3558957 ACon1_001445 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I08 compound treatment 1.026 0.0284 0.82 1.046 0.0482 1.42 1.5888 0.9661 3557372 ACon1_001446 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC3[C@@]4(C)CC[C@H](O)C[C@]54OO[C@@]23C=C5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I09 compound treatment 0.989 -0.00858 -0.25 0.992 -0.00584 -0.17 -0.2978 -0.9843 3615002 ACon1_001447 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)O[C@@]%101CC[C@@](C)(CO[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)O%10 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I10 compound treatment 1.01 0.0124 0.36 1.02 0.0222 0.66 0.7176 0.9602 3558208 ACon1_001448 COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](C)O[C@H](O[C@@H]3C4O[C@]4(CO)C5C3C=CO[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@H]2OC(=O)C)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I11 compound treatment 0.999 0.00142 0.04 0.987 -0.0108 -0.32 -0.1976 -0.6113 3553143 ACon1_001449 C[C@H]1CC[C@H]2O[C@]23C(=O)c4occ(C)c4[C@@H](OC(=O)C)[C@]13C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I12 compound treatment 1.014 0.0164 0.48 1.039 0.0412 1.22 1.1967 0.916 3557701 ACon1_001450 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I13 compound treatment 0.988 -0.00958 -0.28 0.988 -0.00984 -0.29 -0.4019 -0.9997 3552066 ACon1_001451 C/C=C/C=C/C(=C/1\[C@@H]2[C@@H]([C@@H](C(=O)\C=C\C=C\C)[C@](C)(C1=O)C(=O)C2(C)O)[C@]3(C)OC(=O)C(=C3O)C)/O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I14 compound treatment 0.972 -0.0256 -0.74 0.982 -0.0158 -0.47 -0.855 -0.9756 3558037 ACon1_001452 OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)c3c(O)cccc3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I15 compound treatment 1.002 0.00442 0.13 0.99 -0.00784 -0.23 -0.0734 -0.2772 3555441 ACon1_001453 CSCC1OC(C(O)C1O)n2cnc3c(=O)[nH]cnc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I16 compound treatment 1.01 0.0124 0.36 1.035 0.0372 1.1 1.0312 0.892 3557495 ACon1_001454 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I17 compound treatment 1.007 0.00942 0.27 1.012 0.0142 0.42 0.4889 0.9785 3555348 ACon1_001455 COc1nc(C/C=C(\C)/C\C=C\C(=C\[C@@H](C)[C@@H](O)\C(=C\C)\C)\C)c(C)c(O)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I18 compound treatment 1.0 0.00242 0.07 0.989 -0.00884 -0.26 -0.1353 -0.4998 3559191 ACon1_001456 CC(C)C[C@@](O)([C@H](O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I19 compound treatment 1.016 0.0184 0.53 1.019 0.0212 0.63 0.8196 0.9969 3555032 ACon1_001457 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I20 compound treatment 1.053 0.0554 1.61 1.064 0.0662 1.96 2.518 0.9952 3559208 ACon1_001458 COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4C(=O)O)CC[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I21 mock treatment 0.993 -0.00458 -0.13 0.993 -0.00484 -0.14 -0.195 -0.9993 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I22 mock treatment 0.989 -0.00858 -0.25 0.987 -0.0108 -0.32 -0.4024 -0.9921 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I23 compound treatment 1.022 0.0244 0.71 1.005 0.00716 0.21 0.6497 0.8801 3552080 ACon1_001459 C/C=C/C=C/C(=O)c1cc(C)c(O)c(C)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 I24 compound treatment 1.006 0.00842 0.24 1.011 0.0132 0.39 0.4475 0.9747 3557310 ACon1_001460 CC(O)Cc1cc2c(C)cc(O)cc2c(=O)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J01 compound treatment 0.989 -0.00858 -0.25 0.985 -0.0128 -0.38 -0.4442 -0.9788 3557337 ACon1_001461 C[C@H](O)CC1=C[C@H](O)[C@@H](C)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J02 compound treatment 1.078 0.0804 2.33 1.063 0.0652 1.93 3.0091 0.9956 3553966 ACon1_001462 CC1CC(=O)c2c(C1)ccc3C(O)c4c(O)cccc4C(=O)c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J03 compound treatment 1.0 0.00242 0.07 0.99 -0.00784 -0.23 -0.1144 -0.4721 3559779 ACon1_001463 C[C@H]1[C@@H](O)[C@H](O)C[C@]2(C)CC[C@H](C=C12)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J04 compound treatment 0.99 -0.00758 -0.22 0.99 -0.00784 -0.23 -0.3192 -0.9996 3615013 ACon1_001464 CC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J05 mock treatment 0.991 -0.00658 -0.19 0.975 -0.0228 -0.68 -0.6123 -0.8725 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J06 mock treatment 0.986 -0.0116 -0.34 0.995 -0.00284 -0.08 -0.2966 -0.8579 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J07 compound treatment 1.055 0.0574 1.66 1.038 0.0402 1.19 2.0154 0.9864 3615015 ACon1_001465 COC(=O)Cc1c(CCC(=O)O)oc2cc(C)cc(O)c2c1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J08 compound treatment 1.004 0.00642 0.19 1.007 0.00916 0.27 0.3229 0.9832 1057044 ACon1_001466 COc1ccc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J09 compound treatment 0.99 -0.00758 -0.22 1.003 0.00516 0.15 -0.0474 -0.1773 3615018 ACon1_001467 O[C@@H]1CO[C@@H](OC(CCCCc2ccc(O)cc2)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J10 compound treatment 0.994 -0.00358 -0.1 0.995 -0.00284 -0.08 -0.1327 -0.9946 3615022 ACon1_001468 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC4C3(C)C=CC(=O)OC4(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J11 compound treatment 0.978 -0.0196 -0.57 0.985 -0.0128 -0.38 -0.6694 -0.981 3615023 ACon1_001469 CC1CCC2C(C)(C)CCCC2(C)C1(O)/C=C/C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J12 compound treatment 1.018 0.0204 0.59 1.018 0.0202 0.6 0.8396 1.0 2060335 ACon1_001470 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J13 compound treatment 1.006 0.00842 0.24 1.01 0.0122 0.36 0.4266 0.9822 3615027 ACon1_001471 C[C@H]1[C@H]2OC3=C(C(=O)OC3(C)O)C(=O)[C@]1(C)[C@H]4CCCC[C@]4(O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J14 compound treatment 0.99 -0.00758 -0.22 0.997 -8.44E-4 -0.02 -0.1728 -0.7824 3615031 ACon1_001472 C1Oc2cc3CCNC4Cc5ccccc5-c(c2O1)c43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J15 compound treatment 0.867 -0.131 -3.78 0.912 -0.0858 -2.54 -4.4687 -0.9812 3557473 ACon1_001473 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J16 compound treatment 0.996 -0.00158 -0.05 0.987 -0.0108 -0.32 -0.259 -0.7998 1093674 ACon1_001474 COc1ccc(Cc2nccc3cc(O)c(OC)cc23)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J17 compound treatment 0.977 -0.0206 -0.6 1.003 0.00516 0.15 -0.3136 -0.5098 3615035 ACon1_001475 CCCCCCCCCC(O)C(C)C(O)C(CO)/C=C(\C)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J18 compound treatment 1.011 0.0134 0.39 1.019 0.0212 0.63 0.7172 0.9738 1014127 ACon1_001476 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC21 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J19 compound treatment 0.934 -0.0636 -1.84 0.934 -0.0638 -1.89 -2.6367 -0.9999 3615039 ACon1_001477 COC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J20 compound treatment 1.008 0.0104 0.3 1.001 0.00316 0.09 0.2794 0.8844 3615041 ACon1_001478 CCC1C2C34CC[N+]2([O-])CCC1C(=C4Nc5c3cccc5OC)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J21 mock treatment 0.987 -0.0106 -0.31 1.008 0.0102 0.3 -0.0043 -0.01 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J22 mock treatment 0.994 -0.00358 -0.1 0.982 -0.0158 -0.47 -0.4045 -0.8431 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J23 compound treatment 1.035 0.0374 1.08 1.035 0.0372 1.1 1.5431 1.0 3615043 ACon1_001479 CCCC(O)c1c(O)cccc1C/2(O)CC(=O)C\C2=C/C(O)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 J24 compound treatment 1.021 0.0234 0.68 1.03 0.0322 0.95 1.1519 0.9863 3615046 ACon1_001480 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K01 compound treatment 1.019 0.0214 0.62 1.004 0.00616 0.18 0.5674 0.8776 3559758 ACon1_001481 CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K02 compound treatment 1.001 0.00342 0.1 1.025 0.0272 0.8 0.6378 0.7884 3559087 ACon1_001482 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K03 compound treatment 1.009 0.0114 0.33 0.998 1.56E-4 0.0 0.2372 0.7169 3559128 ACon1_001483 C[N+](C)(C)C(Cc1ccccc1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K04 compound treatment 1.01 0.0124 0.36 1.012 0.0142 0.42 0.5503 0.9972 3558370 ACon1_001484 CC(=O)OCC1=C[C@H](O)[C@H]2[C@@H]1[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K05 compound treatment 1.008 0.0104 0.3 1.002 0.00416 0.12 0.3003 0.9215 3559003 ACon1_001485 COc1ccc(CC2C(Cc3ccc4OCOc4c3)COC2=O)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K06 compound treatment 1.0 0.00242 0.07 1.014 0.0162 0.48 0.3874 0.8023 3553192 ACon1_001486 CC(=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K07 mock treatment 1.02 0.0224 0.65 1.003 0.00516 0.15 0.567 0.85 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K08 mock treatment 1.008 0.0104 0.3 1.005 0.00716 0.21 0.363 0.9849 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K09 compound treatment 1.003 0.00542 0.16 0.996 -0.00184 -0.05 0.0725 0.4361 3554961 ACon1_001487 COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K10 compound treatment 1.0 0.00242 0.07 0.993 -0.00484 -0.14 -0.0517 -0.324 3558843 ACon1_001488 COc1cc2c(ccc3cc(OC)c(OC)c(O)c32)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K11 compound treatment 1.002 0.00442 0.13 0.989 -0.00884 -0.26 -0.0943 -0.324 1254 ACon1_001489 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K12 compound treatment 1.024 0.0264 0.77 1.035 0.0372 1.1 1.3179 0.9844 3557313 ACon1_001490 C[C@H]1CC[C@@H]2[C@H]([C@@H](C)C=C[C@H]2C1)C(=O)c3c(O)c(c[nH]c3=O)[C@]4(O)CC[C@@H](O)[C@H]5O[C@H]54 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K13 compound treatment 0.987 -0.0106 -0.31 1.0 0.00216 0.06 -0.1715 -0.5482 3555009 ACon1_001491 COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](O)c3c(c4c5[C@H](O)[C@H](C)OCc5c(O)c6c(OC)cc(OC)cc46)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K14 compound treatment 0.982 -0.0156 -0.45 0.983 -0.0148 -0.44 -0.6293 -0.9999 3559158 ACon1_001492 Cc1ccc2C(=O)c3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)ccc3C(=O)c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K15 mock treatment 0.98 -0.0176 -0.51 0.996 -0.00184 -0.05 -0.3985 -0.7784 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K16 mock treatment 0.994 -0.00358 -0.1 0.98 -0.0178 -0.53 -0.4463 -0.8301 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K17 compound treatment 1.009 0.0114 0.33 1.018 0.0202 0.6 0.6553 0.9614 3552826 ACon1_001493 C[C@]1(CO)CCC[C@@]2(C)C1[C@H](O)CC3=C2COC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K18 compound treatment 0.995 -0.00258 -0.07 1.008 0.0102 0.3 0.1595 0.5156 3559193 ACon1_001494 CC(C)C[C@](CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)OCc4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K19 compound treatment 1.006 0.00842 0.24 1.008 0.0102 0.3 0.3848 0.9947 3557988 ACon1_001495 OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K20 compound treatment 1.02 0.0224 0.65 1.041 0.0432 1.28 1.3614 0.9509 3557832 ACon1_001496 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]2OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K21 compound treatment 1.034 0.0364 1.05 1.023 0.0252 0.74 1.2718 0.9854 3557515 ACon1_001497 OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K22 compound treatment 1.007 0.00942 0.27 1.026 0.0282 0.83 0.7816 0.8922 3559214 ACon1_001498 CC/C=C\C=C\1/C(CCCCCCCC(=O)O)C=CC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K23 mock treatment 0.994 -0.00358 -0.1 1.004 0.00616 0.18 0.0554 0.2647 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 K24 mock treatment 0.986 -0.0116 -0.34 1.001 0.00316 0.09 -0.1711 -0.4916 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L01 compound treatment 0.985 -0.0126 -0.36 1.006 0.00816 0.24 -0.0871 -0.1993 3552939 ACon1_001499 C[C@H](O)c1nc2ccccc2c(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L02 compound treatment 1.007 0.00942 0.27 0.982 -0.0158 -0.47 -0.1383 -0.2551 3615055 ACon1_001500 CC/C=C/c1ccc(C)cc1CCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L03 compound treatment 1.007 0.00942 0.27 1.02 0.0222 0.66 0.6562 0.9246 3559801 ACon1_001501 C[C@@H]1[C@H]2[C@H](OC1=O)[C@H]3C(=CC(=O)C3=C(C)C[C@@H]2O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L04 compound treatment 1.018 0.0204 0.59 1.006 0.00816 0.24 0.5887 0.9217 3615060 ACon1_001502 COc1cc(O)c(CC=C(C)C)c(/C=C/c2ccc(OC)c(O)c2)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L05 compound treatment 0.999 0.00142 0.04 0.993 -0.00484 -0.14 -0.0721 -0.4842 3615064 ACon1_001503 COc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L06 compound treatment 1.011 0.0134 0.39 1.003 0.00516 0.15 0.3827 0.9165 3615066 ACon1_001504 CCCC1=C(/C=C/C(=O)O)C(=O)C(O1)C(C)(C)C2OC(=C(/C=C/C(=O)O)C2=O)CCC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L07 mock treatment 1.01 0.0124 0.36 1.013 0.0152 0.45 0.5712 0.9941 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L08 mock treatment 1.006 0.00842 0.24 0.995 -0.00284 -0.08 0.113 0.4381 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L09 compound treatment 0.984 -0.0136 -0.39 0.994 -0.00384 -0.11 -0.3584 -0.8756 2113350 ACon1_001505 COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L10 compound treatment 0.997 -5.78E-4 -0.02 1.009 0.0112 0.33 0.2214 0.6704 3615071 ACon1_001506 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OC[C@@H]3[C@H](C)[C@H](C[C@H]3C(CO)CO)OC(=O)CC4\C(=C\C)\C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L11 compound treatment 1.038 0.0404 1.17 1.042 0.0442 1.31 1.7509 0.9985 3615072 ACon1_001507 CC1CC(=O)[C@]2(C)CC[C@]3(C)C(=C(O)C(O)C4[C@@]5(C)CC[C@H](O)C(C)(C5CC[C@]43C)C(=O)O)C2C1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L12 compound treatment 1.053 0.0554 1.61 1.068 0.0702 2.07 2.6017 0.992 3557524 ACon1_001508 OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L13 compound treatment 0.995 -0.00258 -0.07 1.015 0.0172 0.51 0.3059 0.5966 3615077 ACon1_001509 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/COC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L14 compound treatment 1.005 0.00742 0.21 0.968 -0.0298 -0.88 -0.4719 -0.5197 3615080 ACon1_001510 CCC(O)CC1CCCC(CC(O)c2ccccc2)N1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L15 mock treatment 0.99 -0.00758 -0.22 1.009 0.0112 0.33 0.0781 0.197 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L16 mock treatment 0.993 -0.00458 -0.13 1.006 0.00816 0.24 0.0768 0.279 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L17 compound treatment 1.012 0.0144 0.42 1.039 0.0412 1.22 1.1558 0.8984 3615082 ACon1_001511 C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@]5(O[C@@]6(O)[C@H]7C[C@@H](O)[C@H]5[C@]4(O)[C@@H](O)[C@H](O)[C@@H]3[C@]2(C)O)[C@@]7(C)CC[C@@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L18 compound treatment 1.001 0.00342 0.1 1.021 0.0232 0.68 0.5542 0.8011 3615084 ACon1_001512 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@@](C[C@@H]5OC)(OC)C6[C@@H](OC(=O)C)C32)[C@@H]61 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L19 compound treatment 0.692 -0.306 -8.85 0.761 -0.237 -7.0 -11.2093 -0.9933 3615086 ACon1_001513 CC(C)C1NC(=O)C(C)NC(=O)CCCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)NC(=O)C(NC(=O)C(NC1=O)C(C)c4ccccc4)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L20 compound treatment 1.008 0.0104 0.3 1.005 0.00716 0.21 0.363 0.9849 1050697 ACon1_001514 CC(C)C(O)(C(C)O)C(=O)OCC1=CCN2CCC(O)C21 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L21 compound treatment 1.0 0.00242 0.07 1.003 0.00516 0.15 0.1574 0.9379 3615088 ACon1_001515 C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]8O)[C@@](C)(CO)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O[C@@H]%11O[C@@H](CO)[C@H](O)[C@H]%11O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L22 compound treatment 1.037 0.0394 1.14 1.041 0.0432 1.28 1.7095 0.9985 3615092 ACon1_001516 COc1cc2CCN(C)C3c4c(CC3(O)c2cc1O)ccc5OCOc54 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L23 mock treatment 1.005 0.00742 0.21 0.999 0.00116 0.03 0.1762 0.8094 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 L24 mock treatment 0.994 -0.00358 -0.1 1.012 0.0142 0.42 0.2227 0.5164 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M01 compound treatment 1.003 0.00542 0.16 0.989 -0.00884 -0.26 -0.0739 -0.2422 3553702 ACon1_001517 CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M02 compound treatment 1.023 0.0254 0.74 1.016 0.0182 0.54 0.9002 0.988 3559098 ACon1_001518 COc1c(O)cc(cc1O)[C@@H]2Oc3cc(O)cc(O)c3C[C@@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M03 compound treatment 0.992 -0.00558 -0.16 1.002 0.00416 0.12 -0.0273 -0.1347 3559053 ACon1_001519 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c6ccccc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M04 compound treatment 1.023 0.0254 0.74 1.006 0.00816 0.24 0.6911 0.8921 3559037 ACon1_001520 COc1cc(ccc1O)C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M05 compound treatment 0.986 -0.0116 -0.34 0.989 -0.00884 -0.26 -0.422 -0.9924 3554112 ACon1_001521 CCC(C)/C=C/C1=CC2=C(Cl)C(=O)C3(C)OC(=O)C(C3C2=CO1)C(=O)C(C)C(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M06 compound treatment 1.002 0.00442 0.13 0.99 -0.00784 -0.23 -0.0734 -0.2772 3559185 ACon1_001522 C[C@]12C[C@H](OC(=O)C2CC[C@]3(C)[C@H]1[C@@H]4OC(=O)[C@@]3(O)C=C4)c5ccoc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M07 compound treatment 1.003 0.00542 0.16 0.999 0.00116 0.03 0.1352 0.8413 3559057 ACon1_001523 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@@H]4O[C@]4(CO)[C@@H]5[C@H]3C=CO[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H]2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M08 compound treatment 1.019 0.0214 0.62 1.011 0.0132 0.39 0.7137 0.9747 3557382 ACon1_001524 CC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M09 mock treatment 0.992 -0.00558 -0.16 0.985 -0.0128 -0.38 -0.3827 -0.9275 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M10 mock treatment 1.0 0.00242 0.07 0.959 -0.0388 -1.15 -0.7625 -0.6627 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M11 compound treatment 0.993 -0.00458 -0.13 0.971 -0.0268 -0.79 -0.655 -0.814 3553353 ACon1_001525 CC(=O)OC/1C\C=C(/C)\CC(OC(=O)/C(=C\CO)/C)C2C(OC(=O)C2=C)\C=C1/CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M12 compound treatment 0.951 -0.0466 -1.35 0.973 -0.0248 -0.73 -1.4732 -0.9592 3558922 ACon1_001526 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M13 mock treatment 0.979 -0.0186 -0.54 0.972 -0.0258 -0.76 -0.9208 -0.9853 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M14 mock treatment 0.969 -0.0286 -0.83 0.983 -0.0148 -0.44 -0.8956 -0.956 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M15 compound treatment 0.981 -0.0166 -0.48 0.978 -0.0198 -0.59 -0.7544 -0.995 3554846 ACon1_001527 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(OC)c2)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M16 compound treatment 0.976 -0.0216 -0.62 0.995 -0.00284 -0.08 -0.5013 -0.7951 3558380 ACon1_001528 COc1cc(CCOC2OC(CO)C(OC(=O)/C=C/c3ccc(O)c(OC)c3)C(OC4OC(C)C(O)C(O)C4O)C2O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M17 compound treatment 0.987 -0.0106 -0.31 0.996 -0.00184 -0.05 -0.2552 -0.82 3554709 ACon1_001529 COC(=O)c1cc(O)cc(OC)c1Oc2cc(C)cc(O)c2C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M18 compound treatment 1.032 0.0344 1.0 1.032 0.0342 1.01 1.419 1.0 3557627 ACon1_001530 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M19 compound treatment 0.984 -0.0136 -0.39 0.974 -0.0238 -0.7 -0.7765 -0.962 3552018 ACon1_001531 C/C=C(/C)\C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)C3[C@@](O)(CC[C@@]31C)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M20 compound treatment 0.982 -0.0156 -0.45 0.983 -0.0148 -0.44 -0.6293 -0.9999 3558024 ACon1_001532 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M21 compound treatment 1.031 0.0334 0.97 1.004 0.00616 0.18 0.8131 0.8256 3553253 ACon1_001533 CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M22 compound treatment 0.983 -0.0146 -0.42 0.983 -0.0148 -0.44 -0.6089 -0.9998 3559206 ACon1_001534 CC1(C)C(O)CCC2(C)C3CCC4CC3(CC4(O)CO)CCC12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M23 compound treatment 1.023 0.0254 0.74 1.006 0.00816 0.24 0.6911 0.8921 3559039 ACon1_001535 COc1cc(/C=C/C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 M24 compound treatment 0.989 -0.00858 -0.25 1.0 0.00216 0.06 -0.1306 -0.5092 3553939 ACon1_001536 CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N01 compound treatment 0.99 -0.00758 -0.22 0.998 1.56E-4 0.0 -0.1519 -0.6921 1037131 ACon1_001537 Cc1cc(C)c(O)c(c1)C(=O)CC2CC(=O)NC(=O)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N02 compound treatment 0.983 -0.0146 -0.42 1.001 0.00316 0.09 -0.2325 -0.5378 3615103 ACon1_001538 CC1CC(O)CC(C)(C)C1(O)/C=C/C(CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N03 compound treatment 0.986 -0.0116 -0.34 1.0 0.00216 0.06 -0.192 -0.5626 3559788 ACon1_001539 CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@H](O)[C@@H]([C@H]21)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N04 compound treatment 1.016 0.0184 0.53 1.003 0.00516 0.15 0.485 0.8742 3615108 ACon1_001540 CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C(C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N05 compound treatment 1.056 0.0584 1.69 1.062 0.0642 1.9 2.5377 0.9984 3069522 ACon1_001541 COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N06 compound treatment 1.048 0.0504 1.46 1.04 0.0422 1.25 1.9139 0.9969 3615112 ACon1_001542 CCCC(O)c1ccc(C)cc1CCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N07 compound treatment 0.985 -0.0126 -0.36 1.001 0.00316 0.09 -0.1916 -0.5095 3615113 ACon1_001543 Cc1cc(C(=O)Oc2c(C)cc(C(=O)O)c(O)c2C)c(O)c(C)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N08 compound treatment 1.018 0.0204 0.59 1.012 0.0142 0.42 0.7142 0.9857 3559245 ACon1_001544 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c3c(O)cc4oc(cc(=O)c4c3O)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N09 mock treatment 0.983 -0.0146 -0.42 0.997 -8.44E-4 -0.02 -0.3162 -0.7476 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N10 mock treatment 0.985 -0.0126 -0.36 0.974 -0.0238 -0.7 -0.7561 -0.9528 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N11 compound treatment 0.982 -0.0156 -0.45 0.98 -0.0178 -0.53 -0.6921 -0.997 3615116 ACon1_001545 COC(/C=C/CC\C=C\C(=O)O)C(O)C(C)C(O)/C(=C/C(C)C(=O)CCCC1CC(=O)NC(=O)C1)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N12 compound treatment 1.019 0.0214 0.62 1.018 0.0202 0.6 0.8601 0.9998 3615120 ACon1_001546 CCCC[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N13 mock treatment 0.98 -0.0176 -0.51 0.993 -0.00484 -0.14 -0.4612 -0.8722 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N14 mock treatment 0.977 -0.0206 -0.6 0.982 -0.0158 -0.47 -0.7526 -0.9929 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N15 compound treatment 1.013 0.0154 0.45 1.011 0.0132 0.39 0.5909 0.9976 3615123 ACon1_001547 COC(=O)c1cccc(O)c1C(=O)c2c(O)cc(C)cc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N16 compound treatment 1.03 0.0324 0.94 1.028 0.0302 0.89 1.2944 0.9997 3615126 ACon1_001548 COc1ccc(cc1Cl)C(=O)NCCc2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N17 compound treatment 1.051 0.0534 1.55 1.067 0.0692 2.04 2.5398 0.9905 3615128 ACon1_001549 COc1cc(OC)c(cc1OC)c2coc3c4C=CC(C)(C)Oc4c(OC)cc3c2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N18 compound treatment 1.006 0.00842 0.24 1.01 0.0122 0.36 0.4266 0.9822 2259 ACon1_001550 CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N19 compound treatment 0.982 -0.0156 -0.45 0.997 -8.44E-4 -0.02 -0.3367 -0.7451 3615132 ACon1_001551 COc1ccc2C[C@@H]3[C@H](COC3=O)[C@H](OC(=O)/C(=C\C)/C)c4cc(OC)c(OC)cc4-c2c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N20 compound treatment 0.994 -0.00358 -0.1 1.013 0.0152 0.45 0.2436 0.5296 3615136 ACon1_001552 CC(O)c1cncc2c(=O)n3CCc4c([nH]c5ccccc45)-c3cc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N21 compound treatment 1.061 0.0634 1.84 1.087 0.0892 2.64 3.1627 0.9844 3615138 ACon1_001553 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)CC3)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N22 compound treatment 0.999 0.00142 0.04 1.003 0.00516 0.15 0.1369 0.867 3615141 ACon1_001554 C/C=C(/C)\C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N23 compound treatment 0.89 -0.108 -3.12 0.897 -0.101 -2.98 -4.3113 -0.9998 3614951 ACon1_001555 Cc1cc(O)c2C(=O)C3=C(C(O)C(O)C(O)C3O)C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 N24 compound treatment 1.02 0.0224 0.65 1.006 0.00816 0.24 0.6297 0.909 3615144 ACon1_001556 CO/C=C(/C1CC2N(CCC23C(=O)Nc4ccccc43)CC1C=C)\C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O01 compound treatment 1.008 0.0104 0.3 1.02 0.0222 0.66 0.6766 0.9381 3559328 ACon1_001557 CC1OC1(C)C(=O)O[C@@H]2CC[C@]3(C)CC(=O)C(=C(C)C)C[C@H]3[C@]2(C)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O02 compound treatment 1.031 0.0334 0.97 1.056 0.0582 1.72 1.9003 0.9631 3559070 ACon1_001558 C[C@@H]1C[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@]5(C)[C@H](CCC=C5C)[C@@]1(C)CC[C@](C)(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O03 compound treatment 0.994 -0.00358 -0.1 0.999 0.00116 0.03 -0.0491 -0.45 1093459 ACon1_001559 COc1cc(CC2COC(=O)C2(O)Cc3ccc(O)c(OC)c3)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O04 compound treatment 0.712 -0.286 -8.27 0.715 -0.283 -8.36 -11.7614 -1.0 3559095 ACon1_001560 C/C=C(/C)\C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@H]3O[C@H]3C(=C)[C@@H](O)[C@H]4OC(=O)C(=C)[C@@H]41 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O05 compound treatment 1.001 0.00342 0.1 0.998 1.56E-4 0.0 0.0733 0.7393 3558913 ACon1_001561 OC(=O)C[C@](O)(Cc1ccc(O)cc1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O06 compound treatment 1.049 0.0514 1.49 1.05 0.0522 1.54 2.1434 0.9998 3559222 ACon1_001562 COc1c(O)cc(cc1O)c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]4O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O07 compound treatment 0.999 0.00142 0.04 1.011 0.0132 0.39 0.3042 0.7776 3557351 ACon1_001563 C[C@@H](OC(=O)C)[C@@H]1[C@]23O[C@@]3([C@H](O)c4c(O)c(ccc4C2=O)c5ccc6C(=O)[C@@]78O[C@@]8([C@H](O)c6c5O)C(=O)C[C@](C)(O)[C@@H]7[C@@H](C)OC(=O)C)C(=O)C[C@]1(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O08 compound treatment 0.972 -0.0256 -0.74 0.99 -0.00784 -0.23 -0.6878 -0.8861 3559212 ACon1_001564 CC(C)C(C)(O)C(=O)OCC1=CCN2CCC(O)C21 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O09 compound treatment 0.99 -0.00758 -0.22 1.009 0.0112 0.33 0.0781 0.197 3615151 ACon1_001565 C[C@@H]1C2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)O[C@@]91CC[C@@](C)(CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)O9 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O10 compound treatment 1.013 0.0154 0.45 1.021 0.0232 0.68 0.7999 0.9786 3557334 ACon1_001566 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)/C(=C/c5cnc[nH]5)/NC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O11 mock treatment 0.989 -0.00858 -0.25 1.007 0.00916 0.27 0.0158 0.0429 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O12 mock treatment 1.006 0.00842 0.24 1.013 0.0152 0.45 0.4893 0.9591 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O13 compound treatment 0.996 -0.00158 -0.05 1.009 0.0112 0.33 0.2009 0.6034 3554512 ACon1_001567 CO[C@H]1/C=C/C=C(\C)/C[C@H](C)[C@H](O)[C@H](C)/C=C(\C)/C=C(\OC)/C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)\C=C\[C@H](C)[C@H](O)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O14 compound treatment 1.034 0.0364 1.05 1.031 0.0332 0.98 1.439 0.9993 3180421 ACon1_001568 COc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O15 compound treatment 1.023 0.0254 0.74 1.027 0.0292 0.86 1.1302 0.9969 3557322 ACon1_001569 CC/C=C/C=C/1\CO[C@@]2(CC[C@@H](CO)O2)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O16 compound treatment 1.004 0.00642 0.19 1.01 0.0122 0.36 0.3857 0.953 3557362 ACon1_001570 CC(=O)c1nc2ccccc2c(=O)[nH]1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O17 compound treatment 1.016 0.0184 0.53 1.024 0.0262 0.77 0.9241 0.9836 3553815 ACon1_001571 CC[C@H]/1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)[C@H](C)[C@@H](OC(=O)/C=C/[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)C(O)[C@@H](C)C(=O)[C@@](C)(O)C(O)[C@@H](C)C\C=C\C=C1)[C@H]2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O18 compound treatment 1.007 0.00942 0.27 1.021 0.0232 0.68 0.6771 0.9187 3558879 ACon1_001572 CC(CO)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2OC(=O)C(=C)[C@@H]21)/CO)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O19 compound treatment 0.992 -0.00558 -0.16 1.005 0.00716 0.21 0.0354 0.1329 3554106 ACon1_001573 CCC(C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]42[C@H]3[C@@]5(C)[C@H](O)C(=O)C=C(C)[C@@H]5C[C@H]4OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O20 compound treatment 1.037 0.0394 1.14 1.051 0.0532 1.57 1.9186 0.9877 3559210 ACon1_001574 C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O21 compound treatment 0.987 -0.0106 -0.31 1.006 0.00816 0.24 -0.0461 -0.1183 3558433 ACon1_001575 CC1OC(OC2C(OC3OCC(O)C(O)C3O)C(OCCc4ccc(O)c(O)c4)OC(CO)C2OC(=O)/C=C/c5ccc(O)c(O)c5)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O22 compound treatment 1.006 0.00842 0.24 1.023 0.0252 0.74 0.6984 0.8922 3557365 ACon1_001576 CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)C(O)[C@H](O)[C@@]42C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O23 compound treatment 1.029 0.0314 0.91 1.04 0.0422 1.25 1.5248 0.988 3558906 ACon1_001577 CCC(C)C(=O)OC/C=C(\C)/CC[C@H]1C(=C)C(O)CC2[C@@](C)(COC(=O)C)CC(O)C[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 O24 compound treatment 1.025 0.0274 0.79 1.021 0.0232 0.68 1.0457 0.9973 3557395 ACon1_001578 CC1(CO)CC(O)CC2(C)C1CCC3=C2COC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P01 compound treatment 0.981 -0.0166 -0.48 0.994 -0.00384 -0.11 -0.4199 -0.851 1000475 ACon1_001579 O=c1ccc2cc3ccoc3cc2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P02 compound treatment 0.989 -0.00858 -0.25 0.993 -0.00484 -0.14 -0.2769 -0.9658 3615161 ACon1_001580 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@](C)(C5CC[C@]43C)C(=O)O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P03 compound treatment 1.01 0.0124 0.36 1.013 0.0152 0.45 0.5712 0.9941 3553075 ACon1_001581 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P04 compound treatment 0.993 -0.00458 -0.13 0.991 -0.00684 -0.2 -0.2368 -0.979 3615165 ACon1_001582 Cc1cc(O)c(C)c2Oc3c(C)c(O)c(O)c(C)c3OC(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P05 compound treatment 0.99 -0.00758 -0.22 1.011 0.0132 0.39 0.1199 0.2684 3615168 ACon1_001583 Oc1cccc2C(=O)Nc3ccccc3-c4nc5ccccc5c(=O)n4-c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P06 compound treatment 1.002 0.00442 0.13 1.002 0.00416 0.12 0.1774 0.9998 3615170 ACon1_001584 CC1CC(OC=O)C2C(C)C(CCC2(C)C31CCC4(COC(=O)C4)O3)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P07 compound treatment 1.0 0.00242 0.07 1.005 0.00716 0.21 0.1992 0.8937 3615172 ACon1_001585 COC1CC(OC2C(C)OC(CC2OC)OC3C(C)OC(CC3OC)OC4C(C)OC(CC4OC)O[C@H]5CC[C@]6(C)C7CC(OC(=O)c8ccccc8)[C@]9(C)[C@@](O)(CC[C@]9(O)[C@]7(O)CC=C6C5)C(=O)C)OC(C)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P08 compound treatment 0.999 0.00142 0.04 1.009 0.0112 0.33 0.2624 0.7893 3615176 ACon1_001586 O[C@@H]1[C@@H](O)[C@H](Oc2c(O)c(c(O)cc2c3ccccc3)c4ccccc4)O[C@@H]([C@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P09 compound treatment 1.013 0.0154 0.45 1.002 0.00416 0.12 0.4027 0.8694 3615180 ACon1_001587 Cc1cc2C(=O)c3ccccc3C(=O)c2cc1O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P10 compound treatment 1.013 0.0154 0.45 0.999 0.00116 0.03 0.34 0.759 3615183 ACon1_001588 CC(=O)[C@@]12C[C@@H](CC[C@@]2(C)CC[C@@H]1O)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P11 mock treatment 0.996 -0.00158 -0.05 0.985 -0.0128 -0.38 -0.3008 -0.7865 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P12 mock treatment 0.991 -0.00658 -0.19 0.992 -0.00584 -0.17 -0.2569 -0.9988 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P13 compound treatment 1.013 0.0154 0.45 1.027 0.0292 0.86 0.9254 0.9531 3615185 ACon1_001589 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@@]56CCC(C)(C)C[C@H]6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P14 compound treatment 1.004 0.00642 0.19 1.008 0.0102 0.3 0.3438 0.9735 3615189 ACon1_001590 COc1cc(nc(/C=N/O)c1S(=O)C)c2ccccn2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P15 compound treatment 1.011 0.0134 0.39 1.005 0.00716 0.21 0.4245 0.9591 3557312 ACon1_001591 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P16 compound treatment 1.027 0.0294 0.85 1.002 0.00416 0.12 0.6894 0.8008 3615194 ACon1_001592 CC(C)(C=C)C12CC3N(C2Nc4ccccc41)C(=O)C(Cc5c[nH]cn5)NC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P17 compound treatment 1.002 0.00442 0.13 1.004 0.00616 0.18 0.2193 0.9852 3558732 ACon1_001593 O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P18 compound treatment 0.988 -0.00958 -0.28 1.024 0.0262 0.77 0.3507 0.4268 3615196 ACon1_001594 COC(=O)C1(CO)C/2CCN(C\C2=C/C)Cc3c1[nH]c4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P19 compound treatment 1.011 0.0134 0.39 1.009 0.0112 0.33 0.5081 0.9967 3615200 ACon1_001595 C/C(=C\CCC(C)(O)C=C)/C(=O)OC1C2OC2(C)C3C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)OC=CC13O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P20 compound treatment 0.851 -0.147 -4.25 0.84 -0.158 -4.67 -6.3016 -0.9989 2096349 ACon1_001596 COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3=O)c2cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P21 compound treatment 1.004 0.00642 0.19 1.01 0.0122 0.36 0.3857 0.953 1054272 ACon1_001597 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O)cc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P22 compound treatment 1.004 0.00642 0.19 1.034 0.0362 1.07 0.8874 0.8178 1874510 ACon1_001598 CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC61CCC(C)CN6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P23 compound treatment 1.116 0.118 3.43 1.114 0.116 3.43 4.8535 1.0 3615206 ACon1_001599 CC1OC(O[C@H]2[C@@H](O)C[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@]54C)C(=O)OC7OC(C)C(OC8OCC(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(O)C8O)C(O)C7O)[C@]2(C)CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2294 P24 compound treatment 1.024 0.0264 0.77 1.003 0.00516 0.15 0.6489 0.8316 1707947 ACon1_001600 CN1CCc2cc3OCOc3cc2C1C4OC(=O)c5c6OCOc6ccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A01 compound treatment 1.006 0.00689 0.2 1.026 0.0269 0.79 0.703 0.858 3615211 ACon1_001601 COc1cc2CCN(C)C3Cc4ccc(O)c(O)c4-c(c1OC)c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A02 compound treatment 0.997 -0.00211 -0.06 0.993 -0.00613 -0.18 -0.1712 -0.896 3615213 ACon1_001602 CC1OC(Oc2cc(O)c(C3OC(C)C(O)C(O)C3O)c4oc(cc(=O)c24)c5ccc(O)cc5)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A03 compound treatment 0.987 -0.0121 -0.35 0.991 -0.00813 -0.24 -0.4178 -0.983 3484788 ACon1_001603 CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A04 compound treatment 0.996 -0.00311 -0.09 0.995 -0.00413 -0.12 -0.1499 -0.9889 3615215 ACon1_001604 COc1cc(cc(OC)c1O)C(=O)OC[C@@]2(O)CO[C@H](OC3C(O)C(O)C(Oc4cc(OC)c(OC)c(OC)c4)OC3CO)[C@@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A05 compound treatment 1.041 0.0419 1.21 1.03 0.0309 0.91 1.5033 0.9902 3557487 ACon1_001605 CC1(O)CC2(CC1CCC23)CC(=O)C4C(CO)(CCCC34C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A06 compound treatment 1.009 0.00989 0.29 1.01 0.0109 0.32 0.4299 0.9983 3615219 ACon1_001606 CCCCCC(=O)CC(O)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A07 compound treatment 1.023 0.0239 0.69 0.993 -0.00613 -0.18 0.3612 0.505 3553900 ACon1_001607 CC1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](O)[C@@H]3[C@@H]2OC(=O)C3=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A08 compound treatment 0.976 -0.0231 -0.67 0.988 -0.0111 -0.33 -0.7058 -0.9465 3615221 ACon1_001608 CC1(CCCC2(C)C1C(O)CC3(CC4(O)CC=C32)C(=O)C4=C)C(=O)OC5OC(CO)C(O)C(O)C5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A09 compound treatment 1.019 0.0199 0.58 1.006 0.00687 0.2 0.5511 0.9021 3615223 ACon1_001609 C[C@@]1(O)C[C@@H](O)C[C@]2(C)CC[C@H](CC12)C(=C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A10 compound treatment 0.992 -0.00711 -0.21 0.987 -0.0121 -0.36 -0.3991 -0.9653 3615227 ACon1_001610 C[C@@]12CCC[C@@]3(C)C2[C@@H](C[C@@]4(CO4)[C@]3(O)CCc5ccoc5)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A11 compound treatment 0.987 -0.0121 -0.35 0.999 -1.25E-4 0.0 -0.2506 -0.7145 1088391 ACon1_001611 CC1=CC(=O)c2c(O)cccc2C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A12 compound treatment 0.98 -0.0191 -0.55 1.002 0.00287 0.09 -0.3312 -0.5916 3615231 ACon1_001612 COC(/C=C/C(OC(=O)C)C(C)OC(=O)C)C(O)C1CC=CC(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A13 mock treatment 0.988 -0.0111 -0.32 0.979 -0.0201 -0.6 -0.6482 -0.9583 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A14 mock treatment 0.969 -0.0301 -0.87 0.98 -0.0191 -0.57 -1.0164 -0.978 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A15 compound treatment 1.019 0.0199 0.58 1.022 0.0229 0.68 0.8856 0.9968 3615235 ACon1_001613 OC1Cc2c(O)c3C(C(O)C(Oc3cc2OC1c4ccc(O)c(O)c4)c5ccc(O)c(O)c5)c6ccc(O)cc6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A16 compound treatment 0.953 -0.0461 -1.34 0.974 -0.0251 -0.74 -1.4695 -0.9617 3615238 ACon1_001614 CC(C)/C=C/C=C(\C)/CC/C=C(\C)/CCOc1c(O)cc2C(=O)NCc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A17 compound treatment 1.0 8.91E-4 0.03 0.991 -0.00813 -0.24 -0.1516 -0.6276 3615241 ACon1_001615 C[C@@H]1O[C@@H](OC(=O)c2c(C)coc2C)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A18 compound treatment 1.014 0.0149 0.43 0.998 -0.00113 -0.03 0.2814 0.6506 3615246 ACon1_001616 C[C@@H]1O[C@@H](OC2C(O)C(O)C(OC3C(O)COC(O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)CC[C@@]8(CC[C@]76C)C(=O)OC9OC(CO)C(O)C(O)C9O)C4(C)C)C3O)OC2C(=O)O)[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A19 compound treatment 1.022 0.0229 0.66 1.025 0.0259 0.77 1.0097 0.9975 3615250 ACon1_001617 OC1CCC(=O)c2c(O)cccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A20 compound treatment 1.01 0.0109 0.32 1.035 0.0359 1.06 0.973 0.8793 3559151 ACon1_001618 CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)COC8OC(CO)C(O)C(O)C8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A21 compound treatment 1.024 0.0249 0.72 1.032 0.0329 0.97 1.197 0.9892 3615252 ACon1_001619 OC(=O)CCCCCCC/C=C\CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A22 compound treatment 1.049 0.0499 1.44 1.027 0.0279 0.82 1.6044 0.9646 1018507 ACon1_001620 Oc1ccc(C=O)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A23 compound treatment 1.043 0.0439 1.27 1.035 0.0359 1.06 1.6488 0.996 3615257 ACon1_001621 CC(=O)OC(CCCCc1ccc(O)c(O)c1)CCc2ccc(O)c(O)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 A24 compound treatment 1.02 0.0209 0.61 1.006 0.00687 0.2 0.5715 0.8955 3559182 ACon1_001622 COc1cc(cc(OC)c1O)C2OC[C@@H]3[C@H](OC[C@H]23)c4cc(OC)c(O)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B01 compound treatment 0.984 -0.0151 -0.44 0.987 -0.0121 -0.36 -0.5629 -0.9951 3615259 ACon1_001623 COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](OC3OC(CO)C(O)C(O)C3O)[C@H](C)O[C@H]2OCC4OC(Oc5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)cc7)C(O)C(O)C4O)cc(OC)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B02 compound treatment 0.987 -0.0121 -0.35 1.003 0.00387 0.11 -0.167 -0.4526 3615262 ACon1_001624 OCCCCCCCC=C(C(=O)O)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B03 compound treatment 0.983 -0.0161 -0.47 0.983 -0.0161 -0.48 -0.667 -0.9999 3615264 ACon1_001625 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B04 compound treatment 1.001 0.00189 0.05 1.004 0.00487 0.14 0.1406 0.9121 3615266 ACon1_001626 CN1C(=O)c2ccccc2-n3c(nc4ccccc4c3=O)[C@]51O[C@H]5c6ccccc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B05 compound treatment 0.983 -0.0161 -0.47 0.978 -0.0211 -0.62 -0.7715 -0.9897 3615270 ACon1_001627 COc1c(Cc2ccccc2O)c(O)c(Cc3ccccc3O)c(O)c1C(=O)CCc4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B06 compound treatment 0.996 -0.00311 -0.09 0.983 -0.0161 -0.48 -0.4008 -0.8261 3615272 ACon1_001628 CCC(C)CC(C)/C=C\C1OC2=C(C(O)C1O)C(=O)OC2(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B07 compound treatment 1.036 0.0369 1.07 1.034 0.0349 1.03 1.4846 0.9998 3615275 ACon1_001629 CC(=CCCC(C)(O)C(O)Cc1cc(cc(CC=C(C)C)c1O)C(=O)O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B08 compound treatment 0.98 -0.0191 -0.55 0.988 -0.0111 -0.33 -0.6239 -0.9691 3054974 ACon1_001630 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B09 compound treatment 1.009 0.00989 0.29 0.989 -0.0101 -0.3 -0.0091 -0.022 3615278 ACon1_001631 CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(/C=C/C(C)(C)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B10 compound treatment 1.036 0.0369 1.07 1.042 0.0429 1.27 1.6518 0.9964 3559815 ACon1_001632 COc1cc(ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3oc4cc(O)cc(O)c4c(=O)c3O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B11 compound treatment 0.973 -0.0261 -0.76 0.979 -0.0201 -0.6 -0.9554 -0.993 3559060 ACon1_001633 COc1cc2OC[C@@H]3Oc4c5C[C@H](Oc5ccc4C(=O)[C@]3(O)c2cc1OC)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B12 compound treatment 1.007 0.00789 0.23 0.978 -0.0211 -0.62 -0.2801 -0.4211 3076873 ACon1_001634 COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B13 mock treatment 0.969 -0.0301 -0.87 0.98 -0.0191 -0.57 -1.0164 -0.978 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B14 mock treatment 0.98 -0.0191 -0.55 0.985 -0.0141 -0.42 -0.6866 -0.9904 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B15 compound treatment 1.005 0.00589 0.17 0.999 -1.25E-4 0.0 0.118 0.6916 3615283 ACon1_001635 COc1cc(oc(=O)c1C)C(C)C=C(C)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B16 compound treatment 0.993 -0.00611 -0.18 0.988 -0.0111 -0.33 -0.3577 -0.9577 3615285 ACon1_001636 OC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c3oc(=O)c4cc(O)c(O)c5oc(=O)c2c3c45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B17 compound treatment 1.001 0.00189 0.05 0.994 -0.00513 -0.15 -0.0684 -0.4247 3615286 ACon1_001637 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(CO)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B18 compound treatment 0.998 -0.00111 -0.03 0.979 -0.0201 -0.6 -0.4435 -0.7442 3615290 ACon1_001638 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(oc3c2)c7ccc(O)c(O)c7)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B19 compound treatment 1.005 0.00589 0.17 1.004 0.00487 0.14 0.2225 0.9965 3615295 ACon1_001639 COc1cc2c(cc1O)C(=O)CC3C(C)(C)C(=O)CCC32C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B20 compound treatment 1.048 0.0489 1.42 1.061 0.0619 1.83 2.2948 0.992 3615297 ACon1_001640 CC1(CCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC3C(=CCC4[C@@](C)(CCC[C@]34C)C(=O)O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B21 compound treatment 1.024 0.0249 0.72 1.031 0.0319 0.94 1.1761 0.9912 3615299 ACon1_001641 COC1(C)C(O)C(=O)C(=C(Oc2cc(C)cc(O)c2C)C1=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B22 compound treatment 1.0 8.91E-4 0.03 1.012 0.0129 0.38 0.2874 0.7533 3615301 ACon1_001642 COc1cc(/C=C/COC2OC(CO)C(O)C(O)C2O)cc3C(CO)C(Oc31)c4ccc(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B23 compound treatment 1.025 0.0259 0.75 1.029 0.0299 0.88 1.1548 0.9967 3615306 ACon1_001643 COc1cc2oc(cc(=O)c2c(OC)c1OC)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 B24 compound treatment 1.004 0.00489 0.14 1.008 0.00887 0.26 0.2857 0.9581 3558267 ACon1_001644 C[C@@]12CC[C@@H](O)C(=C)C2C[C@@H](CC1)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C01 compound treatment 1.021 0.0219 0.63 1.022 0.0229 0.68 0.9265 0.9995 3615308 ACon1_001645 COC(=O)[C@@H]1C[C@@]2(C=CC[N+]3([O-])CC[C@]45[C@H]23)C(C)[C@]51Nc6ccccc64 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C02 compound treatment 0.98 -0.0191 -0.55 1.008 0.00887 0.26 -0.2058 -0.336 3615312 ACon1_001646 OCC1OC(OCC2OC(OC(CCc3ccccc3)CC(=O)CCc4ccccc4)C(O)C(O)C2O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C03 compound treatment 1.017 0.0179 0.52 1.009 0.00987 0.29 0.5728 0.9632 3554647 ACon1_001647 COC(=O)C(=C)[C@]1(O[C@@]/23CC[C@@](C)(O)CC1=O)[C@H](C[C@@]3(C)OC(=O)\C2=C\C)OC(=O)C(=C)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C04 compound treatment 1.02 0.0209 0.61 1.026 0.0269 0.79 0.9897 0.991 3615314 ACon1_001648 COc1cc(cc(OC)c1O)C(=O)OC[C@@]2(O)CO[C@H](OC3C(O)C(O)C(OC(C)/C=C/C4(O)C(C)CC(O)CC4(C)C)OC3CO)[C@@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C05 compound treatment 1.01 0.0109 0.32 0.998 -0.00113 -0.03 0.1995 0.629 3553387 ACon1_001649 CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C06 compound treatment 1.027 0.0279 0.81 1.026 0.0269 0.79 1.133 1.0 3615318 ACon1_001650 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@H]1C)C(=O)OC6OC(COC7OC(CO)C(O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C(O)C7O)C(O)C(O)C6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C07 compound treatment 1.032 0.0329 0.95 1.017 0.0179 0.53 1.0472 0.9614 3558295 ACon1_001651 CC(C)c1cc2CCC3C(C)(C)C[C@H](O)C[C@]3(C)c2cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C08 compound treatment 1.0 8.91E-4 0.03 1.012 0.0129 0.38 0.2874 0.7533 3615325 ACon1_001652 CC1OC(OC2C(O)C(O)C(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)OC2C(=O)O)C(OC9OCC(O)C(O)C9O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C09 compound treatment 1.054 0.0549 1.59 1.032 0.0329 0.97 1.8114 0.9721 3558212 ACon1_001653 C[C@@]1(O)CCC2[C@H](OC(=O)C2=C)[C@@H]3[C@H]1C[C@H](O)C3=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C10 compound treatment 1.045 0.0459 1.33 1.021 0.0219 0.65 1.3971 0.9452 3615328 ACon1_001654 CC1OC(OCC2OC(OCC3(C)C(O)CCC4(C)C3CCC5(C)C4CCC6C7=CC(C)(C)CCC7(CCC65C)C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C11 mock treatment 1.002 0.00289 0.08 1.008 0.00887 0.26 0.2447 0.8886 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C12 mock treatment 1.011 0.0119 0.34 1.016 0.0169 0.5 0.5963 0.9836 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C13 compound treatment 1.016 0.0169 0.49 1.009 0.00987 0.29 0.5523 0.9696 3553489 ACon1_001655 CC(C)[C@@H](NC(=O)C)C(=O)O[C@H]1CCC(C)(C)[C@@H]2CCC3=C(COC3=O)[C@@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C14 compound treatment 1.001 0.00189 0.05 1.007 0.00787 0.23 0.2034 0.8502 3615331 ACon1_001656 CCCCCCCCC/C=C/CCCCC(=O)C1C(=O)CCC(O)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C15 mock treatment 1.006 0.00689 0.2 1.005 0.00587 0.17 0.2639 0.9976 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C16 mock treatment 0.989 -0.0101 -0.29 0.981 -0.0181 -0.54 -0.586 -0.9596 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C17 compound treatment 1.012 0.0129 0.37 0.983 -0.0161 -0.48 -0.0731 -0.1208 3615336 ACon1_001657 OC(=O)C(OC(=O)/C=C/c1ccc(O)c(O)c1)C(OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC(=O)/C=C/c3ccc(O)c(O)c3)C(OC(=O)/C=C/c4ccc(O)c(O)c4)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C18 compound treatment 1.012 0.0129 0.37 0.997 -0.00213 -0.06 0.2196 0.5799 3615339 ACon1_001658 CC(C)/C=C/C=C(\C)/CCC\C(=C\COc1c(O)cc2C(=O)NCc2c1O)\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C19 compound treatment 1.049 0.0499 1.44 1.038 0.0389 1.15 1.8344 0.9936 3554116 ACon1_001659 CCC(C)[C@@H]1N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C20 compound treatment 1.092 0.0929 2.69 1.081 0.0819 2.42 3.614 0.9986 3615343 ACon1_001660 C[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H](CC2(C)C)C4=CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C=O)C6CC[C@@]5(C)[C@]4(C)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C21 compound treatment 1.014 0.0149 0.43 1.013 0.0139 0.41 0.595 0.9997 3558893 ACon1_001661 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C22 compound treatment 1.027 0.0279 0.81 1.034 0.0349 1.03 1.3003 0.9927 3559174 ACon1_001662 OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(CC(=O)c23)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C23 compound treatment 1.006 0.00689 0.2 0.963 -0.0361 -1.07 -0.6141 -0.5652 3615348 ACon1_001663 OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]3OC(=O)C(CN4CCCC4C(=O)O)[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 C24 compound treatment 1.057 0.0579 1.68 0.972 -0.0271 -0.8 0.6184 0.3327 3559220 ACon1_001664 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D01 compound treatment 1.027 0.0279 0.81 1.021 0.0219 0.65 1.0285 0.9939 3615352 ACon1_001665 C/C(=C\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc3ccc(=O)oc13)/CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D02 compound treatment 1.002 0.00289 0.08 1.007 0.00787 0.23 0.2238 0.9046 3615355 ACon1_001666 O[C@@H]1CC(=O)c2cccc(O)c2[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D03 compound treatment 1.034 0.0349 1.01 1.032 0.0329 0.97 1.4018 0.9998 3615359 ACon1_001667 OCCCCC/C=C\C/C=C\C(O)CC1CCC(CC(=O)O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D04 compound treatment 1.028 0.0289 0.84 1.016 0.0169 0.5 0.9444 0.9695 3615363 ACon1_001668 COCC1OC(OC(C)(C)C2CCC3(C)C=C(CCC3O2)C4CCC5C4(C)CC(O)C6OC(CCC56C)C(C)(C)OC7OC(CO)C(O)C(O)C7NC(=O)C)C(NC(=O)C)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D05 compound treatment 0.998 -0.00111 -0.03 1.001 0.00187 0.06 0.0165 0.2572 3615365 ACon1_001669 Cc1cc(O)c2c(=O)c3c(cc(O)cc3oc2c1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D06 compound treatment 1.002 0.00289 0.08 1.008 0.00887 0.26 0.2447 0.8886 3615368 ACon1_001670 CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)CC(CCCCCCCCCC(C)C)OC1=O)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D07 compound treatment 1.044 0.0449 1.3 1.044 0.0449 1.33 1.8575 0.9999 3615370 ACon1_001671 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)COc2c3ccoc3cc4oc(=O)ccc24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D08 compound treatment 1.02 0.0209 0.61 1.005 0.00587 0.17 0.5506 0.8748 3554551 ACon1_001672 COC(=O)[C@]1(C)CC[C@@H](OC(=O)C)[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3([C@H](OC(=O)C)C4=C)[C@H](CC12)OC(=O)[C@]5(C)O[C@@H]5C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D09 compound treatment 0.979 -0.0201 -0.58 0.981 -0.0181 -0.54 -0.7907 -0.9991 3615375 ACon1_001673 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D10 compound treatment 0.954 -0.0451 -1.31 0.963 -0.0361 -1.07 -1.679 -0.995 3559785 ACon1_001674 COc1ccc(cc1)C2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D11 mock treatment 1.006 0.00689 0.2 0.999 -1.25E-4 0.0 0.1385 0.6939 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D12 mock treatment 1.007 0.00789 0.23 0.992 -0.00713 -0.21 0.0126 0.0406 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D13 compound treatment 0.996 -0.00311 -0.09 1.012 0.0129 0.38 0.2055 0.5253 3559167 ACon1_001675 COc1cc(/C=C/CO)cc2[C@@H](CO)[C@H](Oc21)c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D14 compound treatment 1.011 0.0119 0.34 1.029 0.0299 0.88 0.8681 0.9157 3615378 ACon1_001676 CCCCCCc1cc(O)c(C)c(OC(=O)C)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D15 mock treatment 0.991 -0.00811 -0.23 0.994 -0.00513 -0.15 -0.2732 -0.9775 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D16 mock treatment 1.013 0.0139 0.4 1.007 0.00787 0.23 0.4491 0.9662 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D17 compound treatment 1.02 0.0209 0.61 1.023 0.0239 0.71 0.9269 0.9971 3615380 ACon1_001677 COc1cc(oc(=O)c1C)C(C)CC(C)(O)CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D18 compound treatment 1.02 0.0209 0.61 1.008 0.00887 0.26 0.6134 0.9301 3615382 ACon1_001678 COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D19 compound treatment 1.07 0.0709 2.05 1.068 0.0689 2.04 2.8917 1.0 3559250 ACon1_001679 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D20 compound treatment 1.032 0.0329 0.95 1.025 0.0259 0.77 1.2145 0.9941 3615386 ACon1_001680 COc1ccc(/C=C/c2cc(OC)cc(O)c2CC=C(C)C)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D21 compound treatment 1.025 0.0259 0.75 1.022 0.0229 0.68 1.0084 0.9987 3615390 ACon1_001681 CC/C=C\CC/1C(=O)C=C\C1=C\CCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D22 compound treatment 1.035 0.0359 1.04 1.028 0.0289 0.85 1.3387 0.9952 3615393 ACon1_001682 CC1C2C(O)C(=O)C3(C)C(CCC4/C(=C(\CCC=C(C)C)/C(=O)O)/C(CC43C)OC(=O)C)C2(C)CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D23 compound treatment 1.05 0.0509 1.47 1.063 0.0639 1.89 2.3776 0.9925 3559227 ACon1_001683 COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(COC(=O)c4ccc(O)c(OC)c4)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 D24 compound treatment 1.023 0.0239 0.69 1.016 0.0169 0.5 0.842 0.9871 3615396 ACon1_001684 CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)C6[C@@H](OC)C32)[C@@H]61 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E01 mock treatment 1.021 0.0219 0.63 1.022 0.0229 0.68 0.9265 0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E02 mock treatment 1.012 0.0129 0.37 1.017 0.0179 0.53 0.6377 0.9855 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E03 compound treatment 1.006 0.00689 0.2 1.006 0.00687 0.2 0.2848 1.0 3557617 ACon1_001685 CC1CC[C@H](OC(=O)c2ccoc2)[C@@]3(C)[C@H](C[C@@H]4C[C@]13OC4(C)C)OC(=O)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E04 compound treatment 1.024 0.0249 0.72 1.014 0.0149 0.44 0.8207 0.9719 3615401 ACon1_001686 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E05 compound treatment 1.014 0.0149 0.43 1.018 0.0189 0.56 0.6995 0.9919 3557658 ACon1_001687 COc1c(oc2cc(O)cc(O)c2c1=O)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E06 compound treatment 1.014 0.0149 0.43 1.017 0.0179 0.53 0.6786 0.9949 3615406 ACon1_001688 CO[C@@H]1[C@@H](C)O[C@@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E07 compound treatment 1.035 0.0359 1.04 1.042 0.0429 1.27 1.6313 0.9951 3552666 ACon1_001689 C[C@@H]1C[C@H]2OCC3=CCC[C@@H]([C@@]23CO)[C@]1(CC(O)c4ccoc4)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E08 compound treatment 1.034 0.0349 1.01 1.032 0.0329 0.97 1.4018 0.9998 3615410 ACon1_001690 COC1OC(O)C(O)C21CC[C@@]3(O2)[C@H](C)C[C@H]4OC(=O)[C@@]5(C)CCC[C@]3(C)C45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E09 mock treatment 1.01 0.0109 0.32 1.003 0.00387 0.11 0.304 0.906 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E10 mock treatment 1.008 0.00889 0.26 1.011 0.0119 0.35 0.4303 0.9884 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E11 compound treatment 1.041 0.0419 1.21 1.029 0.0299 0.88 1.4824 0.9878 3615414 ACon1_001691 CC(C)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E12 compound treatment 1.051 0.0519 1.5 1.049 0.0499 1.47 2.1053 1.0 3615416 ACon1_001692 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)CC[C@@]31O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E13 compound treatment 1.017 0.0179 0.52 1.009 0.00987 0.29 0.5728 0.9632 905 ACon1_001693 CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E14 compound treatment 1.051 0.0519 1.5 1.032 0.0329 0.97 1.7499 0.9778 3615420 ACon1_001694 CC1CCC2(C)C(CC(O)C(O)C2(O)CO)C1(C)CCc3ccoc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E15 compound treatment 1.028 0.0289 0.84 1.016 0.0169 0.5 0.9444 0.9695 3615422 ACon1_001695 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c3c(O)cc(O)c4c(=O)cc(oc34)c5ccccc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E16 compound treatment 1.039 0.0399 1.16 1.042 0.0429 1.27 1.7133 0.9989 3615425 ACon1_001696 CCCCCC[C@H](O)/C=C/CC1=C(O)CC[C@H](O)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E17 mock treatment 0.999 -1.09E-4 0.0 1.007 0.00787 0.23 0.1624 0.6974 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E18 mock treatment 0.999 -1.09E-4 0.0 1.007 0.00787 0.23 0.1624 0.6974 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E19 compound treatment 1.044 0.0449 1.3 1.034 0.0349 1.03 1.6484 0.9934 3558102 ACon1_001697 COc1ccc(cc1OC)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E20 compound treatment 1.008 0.00889 0.26 1.011 0.0119 0.35 0.4303 0.9884 3558556 ACon1_001698 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E21 compound treatment 1.013 0.0139 0.4 1.017 0.0179 0.53 0.6582 0.9909 3615429 ACon1_001699 OC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E22 compound treatment 0.965 -0.0341 -0.99 0.974 -0.0251 -0.74 -1.2238 -0.9901 3559178 ACon1_001700 CC1(CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)OC(=O)/C=C/c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E23 compound treatment 1.103 0.104 3.01 1.093 0.0939 2.78 4.0901 0.9992 3615432 ACon1_001701 CC(=O)NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 E24 compound treatment 1.021 0.0219 0.63 1.009 0.00987 0.29 0.6547 0.9381 3557371 ACon1_001702 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O)c2)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F01 mock treatment 1.014 0.0149 0.43 1.012 0.0129 0.38 0.5741 0.9981 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F02 mock treatment 1.005 0.00589 0.17 1.007 0.00787 0.23 0.2853 0.9883 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F03 compound treatment 1.019 0.0199 0.58 1.017 0.0179 0.53 0.781 0.9991 3615435 ACon1_001703 C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC(O)[C@@]2(C)C3CC[C@@H]4[C@]5(C[C@@]35CC(O)[C@]12C)CC[C@H](O[C@@H]6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C4(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F04 compound treatment 1.004 0.00489 0.14 1.014 0.0149 0.44 0.4111 0.8898 3615438 ACon1_001704 CC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)c6ccc(O)c(O)c6)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F05 compound treatment 1.037 0.0379 1.1 1.014 0.0149 0.44 1.0869 0.9194 3615441 ACon1_001705 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(C)OC(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F06 compound treatment 0.998 -0.00111 -0.03 1.012 0.0129 0.38 0.2465 0.6451 3554104 ACon1_001706 CCC(C)(NC(=O)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)N)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F07 compound treatment 1.015 0.0159 0.46 1.026 0.0269 0.79 0.8873 0.9663 3615443 ACon1_001707 COc1cc(O)c2c(=O)oc(/C=C/C(=O)O)cc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F08 compound treatment 1.015 0.0159 0.46 1.007 0.00787 0.23 0.4901 0.9502 3559796 ACon1_001708 CC(=O)OC1CCC2(C)C(CC[C@@H]3[C@@H]2CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F09 mock treatment 1.02 0.0209 0.61 1.017 0.0179 0.53 0.8015 0.9977 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F10 mock treatment 1.004 0.00489 0.14 1.016 0.0169 0.5 0.4529 0.8733 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F11 compound treatment 1.073 0.0739 2.14 1.066 0.0669 1.98 2.9113 0.9992 3615449 ACon1_001709 C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2(C)C3CC[C@@H]4[C@]5(C[C@@]35CC(O)[C@]12C)CC[C@H](OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C4(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F12 compound treatment 1.164 0.165 4.78 1.114 0.115 3.4 5.7783 0.9861 3557871 ACon1_001710 OC(=O)[C@]1(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](C1)OC(=O)/C=C/c4ccc(O)c(O)c4)OC(=O)/C=C/c5ccc(O)c(O)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F13 compound treatment 1.018 0.0189 0.55 1.015 0.0159 0.47 0.7187 0.9971 3553379 ACon1_001711 CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)C)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)c5cccnc5)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F14 compound treatment 1.02 0.0209 0.61 1.02 0.0209 0.62 0.8642 1.0 3615454 ACon1_001712 CC1CCC2C(C)(C)CCCC2(C)C1(O)C/C=C(\CCOC(=O)C)/C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F15 compound treatment 1.045 0.0459 1.33 1.036 0.0369 1.09 1.7107 0.9952 3615457 ACon1_001713 CC1CC(=O)C2=C(CCC3(O)C(O)c4c(O)cccc4C(=O)C23)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F16 compound treatment 1.016 0.0169 0.49 1.0 8.75E-4 0.03 0.3642 0.7435 3615460 ACon1_001714 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(Oc5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F17 mock treatment 1.024 0.0249 0.72 0.993 -0.00613 -0.18 0.3817 0.5135 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F18 mock treatment 1.011 0.0119 0.34 0.985 -0.0141 -0.42 -0.0518 -0.0957 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F19 compound treatment 1.051 0.0519 1.5 1.062 0.0629 1.86 2.3771 0.9944 3559265 ACon1_001715 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@@H]5OC[C@@]6(C)C5[C@]1(C)[C@H](C[C@H]6OC(=O)C)OC(=O)/C(=C/C)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F20 compound treatment 1.029 0.0299 0.87 1.013 0.0139 0.41 0.9022 0.9418 3615464 ACon1_001716 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H](Cl)[C@@](O)(COC(=O)c4ccccc4)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F21 compound treatment 1.022 0.0229 0.66 1.009 0.00987 0.29 0.6752 0.9321 3615468 ACon1_001717 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C1O)[C@H]2CC(O)[C@@]3(C)C4CC[C@@H]5[C@]6(C[C@@]46CC(O)[C@]23C)CC[C@H](O[C@@H]7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C5(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F22 compound treatment 1.051 0.0519 1.5 1.043 0.0439 1.3 1.9799 0.9973 3615471 ACon1_001718 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1C=CC43OC(=O)C(=C4)C(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F23 compound treatment 1.037 0.0379 1.1 1.036 0.0369 1.09 1.5469 1.0 3615473 ACon1_001719 CCCCCCCCC#CC#C/C=C/CCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 F24 compound treatment 1.01 0.0109 0.32 1.023 0.0239 0.71 0.7222 0.9341 3615477 ACon1_001720 COc1cc(nc(/C=N/O)c1SC)c2ccccn2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G01 compound treatment 1.007 0.00789 0.23 1.014 0.0149 0.44 0.4726 0.9535 3615480 ACon1_001721 C/C=C/C#CC#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G02 compound treatment 1.007 0.00789 0.23 1.015 0.0159 0.47 0.4935 0.9453 3615484 ACon1_001722 CC1OC(Oc2ccc(cc2)c3cc(=O)c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)cc4o3)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G03 mock treatment 0.998 -0.00111 -0.03 1.004 0.00487 0.14 0.0792 0.5363 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G04 mock treatment 1.007 0.00789 0.23 1.011 0.0119 0.35 0.4099 0.9784 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G05 compound treatment 1.054 0.0549 1.59 1.044 0.0449 1.33 2.0622 0.996 3552804 ACon1_001723 C[C@@H]1O[C@@H](Oc2ccc(cc2)c3coc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G06 compound treatment 1.041 0.0419 1.21 1.043 0.0439 1.3 1.7751 0.9994 3615487 ACon1_001724 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c3cc(O)c(O)c(O)c3)C1O)c4c(O)cc(O)c(C(=O)c5ccc(O)cc5)c4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G07 compound treatment 1.057 0.0579 1.68 1.056 0.0569 1.68 2.3746 1.0 3557601 ACon1_001725 CO[C@@H]1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)C23)c4c(O)c(O)c(cc14)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G08 compound treatment 0.999 -1.09E-4 0.0 1.018 0.0189 0.56 0.3924 0.7031 3615490 ACon1_001726 CC1(CO)CC[C@@]2(COC34C=CC5[C@@]6(C)CC[C@H](OC7OCC(O)C(O)C7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)CC2O)C3C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G09 compound treatment 0.996 -0.00311 -0.09 0.995 -0.00413 -0.12 -0.1499 -0.9889 3559858 ACon1_001727 CCCCC[C@H](O)[C@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G10 compound treatment 0.99 -0.00911 -0.26 1.001 0.00187 0.06 -0.1473 -0.5466 3615494 ACon1_001728 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O)[C@H]4[C@@H]1[C@H](O)C[C@]4(C)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G11 compound treatment 1.01 0.0109 0.32 0.996 -0.00313 -0.09 0.1577 0.4798 3557471 ACon1_001729 COC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G12 compound treatment 1.04 0.0409 1.18 0.993 -0.00613 -0.18 0.7093 0.5921 3615499 ACon1_001730 C[C@H]1CCc2cccnc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)c6ccccc6)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G13 compound treatment 0.996 -0.00311 -0.09 0.986 -0.0131 -0.39 -0.3381 -0.8486 3615503 ACon1_001731 CCCCCCCCCCCCCCCC(=O)CCO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G14 compound treatment 1.025 0.0259 0.75 1.016 0.0169 0.5 0.883 0.9804 3557525 ACon1_001732 CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)/C=C/c4ccc(O)c(O)c4)C(OC5OCC(O)C(O)C5O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G15 compound treatment 0.995 -0.00411 -0.12 0.992 -0.00713 -0.21 -0.2331 -0.9635 3615506 ACon1_001733 Cc1ccc(c(O)c1)C(O)(CO)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G16 compound treatment 0.948 -0.0511 -1.48 0.967 -0.0321 -0.95 -1.7183 -0.977 3615508 ACon1_001734 COc1cc(CCC(O)CC(O)CCc2ccc(O)c(O)c2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G17 compound treatment 1.014 0.0149 0.43 1.008 0.00887 0.26 0.4905 0.9716 3615509 ACon1_001735 COc1cccc2C(=O)c3c(C(O)c12)c(SCC(NC(=O)C)C(=O)O)cc4C(O)C(C)CC(=O)c43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G18 compound treatment 1.039 0.0399 1.16 1.033 0.0339 1.0 1.5251 0.9975 3615511 ACon1_001736 CCC(C)C(NC(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(=O)CCC(NC(=O)C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G19 mock treatment 1.03 0.0309 0.89 1.01 0.0109 0.32 0.8599 0.9046 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G20 mock treatment 1.007 0.00789 0.23 1.018 0.0189 0.56 0.5562 0.9223 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G21 compound treatment 1.065 0.0659 1.91 1.051 0.0519 1.53 2.4339 0.9941 2106469 ACon1_001737 COc1ccc2ccc(=O)oc2c1C(O)C(O)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G22 compound treatment 0.993 -0.00611 -0.18 1.007 0.00787 0.23 0.0395 0.1352 3615514 ACon1_001738 COC1=CC(=O)OC1C(O)C(O)C(OC(=O)C)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G23 compound treatment 1.068 0.0689 2.0 1.047 0.0479 1.42 2.4117 0.9859 3615516 ACon1_001739 C[C@@H]1O[C@@H](Oc2ccc(cc2O)C3Oc4cc(O)cc(O)c4C(=O)C3O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 G24 compound treatment 1.055 0.0559 1.62 1.066 0.0669 1.98 2.5427 0.9951 3559198 ACon1_001740 C[C@H]1[C@@]2(O)[C@H](CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@@]32C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)O[C@@]91CCC(C)CO9 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H01 compound treatment 1.018 0.0189 0.55 1.038 0.0389 1.15 1.1996 0.9424 3615520 ACon1_001741 CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)C3CCC4CC3(CC4(O)CO)CC[C@H]12)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H02 compound treatment 1.01 0.0109 0.32 1.018 0.0189 0.56 0.6176 0.9635 3615525 ACon1_001742 COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H03 mock treatment 1.014 0.0149 0.43 1.012 0.0129 0.38 0.5741 0.9981 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H04 mock treatment 0.998 -0.00111 -0.03 1.021 0.0219 0.65 0.4346 0.6712 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H05 compound treatment 0.87 -0.129 -3.74 0.888 -0.111 -3.29 -4.9672 -0.9979 3615530 ACon1_001743 COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc5c(=O)oc1c2c53 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H06 compound treatment 1.019 0.0199 0.58 1.0 8.75E-4 0.03 0.4256 0.7381 3552916 ACon1_001744 C[C@H](/C=C/C=C(\C)/C(=O)N[C@H]1[C@@H](C)[C@@H](C)OC1=O)[C@H]2CC[C@@]3(C)[C@@H]4CCC5[C@]6(C[C@@]46CC[C@]23C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@H]9O[C@@H]%11O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%11O)C5(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H07 compound treatment 1.022 0.0229 0.66 1.035 0.0359 1.06 1.2188 0.9744 2060370 ACon1_001745 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5c(OC)cc4c3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H08 compound treatment 1.005 0.00589 0.17 1.029 0.0299 0.88 0.7452 0.8284 3559797 ACon1_001746 CO[C@H]1C[C@H](OC2CCC3(C)[C@@H](CCC4C3CCC5(C)C(CC(OC(=O)C)C45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H09 compound treatment 0.995 -0.00411 -0.12 0.986 -0.0131 -0.39 -0.3586 -0.8834 3615536 ACon1_001747 CC1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]54C)[C@@]2(C)CO)C(OC7OC(C(O)C(O)C7OC8OCC(O)C(O)C8O)C(=O)O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H10 compound treatment 0.97 -0.0291 -0.84 0.955 -0.0441 -1.3 -1.5186 -0.9777 3559799 ACon1_001748 C[C@@H]1O[C@@H](OC2CCC3(C)[C@@H](CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H11 compound treatment 0.989 -0.0101 -0.29 0.99 -0.00913 -0.27 -0.3978 -0.9992 3055308 ACon1_001749 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)C[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H12 compound treatment 1.017 0.0179 0.52 1.01 0.0109 0.32 0.5937 0.9737 3615541 ACon1_001750 CCCC1=CC(=O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H13 compound treatment 1.032 0.0329 0.95 1.023 0.0239 0.71 1.1727 0.9891 3558466 ACon1_001751 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H14 compound treatment 1.02 0.0209 0.61 1.01 0.0109 0.32 0.6552 0.9562 3615544 ACon1_001752 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)[C@]41CCC5(COC(O)C5)O4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H15 compound treatment 1.041 0.0419 1.21 1.04 0.0409 1.21 1.7124 1.0 3615548 ACon1_001753 COc1ccc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)C)c3cc(C)oc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H16 compound treatment 1.019 0.0199 0.58 1.025 0.0259 0.77 0.9483 0.9902 3615551 ACon1_001754 COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc4-c2c(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H17 compound treatment 1.004 0.00489 0.14 1.019 0.0199 0.59 0.5157 0.8531 3615554 ACon1_001755 CC1OC(OCC2OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CCC6=C5CC[C@]7(CCC(C)(C)CC67)C(=O)OC8OC(CO)C(O)C(O)C8O)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H18 compound treatment 1.007 0.00789 0.23 0.987 -0.0121 -0.36 -0.0919 -0.2162 3615558 ACon1_001756 C[C@@H]1O[C@H]2Oc3c(oc4cc(O)c(c(O)c4c3=O)-c5cc(/C=C/C(=O)OC[C@H]6O[C@@H](O[C@H]([C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]6O)ccc5O)c7ccc(O)c(O)c7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H19 mock treatment 1.016 0.0169 0.49 1.009 0.00987 0.29 0.5523 0.9696 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H20 mock treatment 1.013 0.0139 0.4 1.006 0.00687 0.2 0.4282 0.95 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H21 compound treatment 1.023 0.0239 0.69 1.01 0.0109 0.32 0.7166 0.9392 3615562 ACon1_001757 CC1CCC2C(C)(C=O)C(O)CCC2(C)C1CC/C(=C\C(=O)O)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H22 compound treatment 1.025 0.0259 0.75 1.024 0.0249 0.74 1.0502 1.0 3558771 ACon1_001758 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H23 compound treatment 1.056 0.0569 1.65 1.041 0.0419 1.24 2.0405 0.9901 3615567 ACon1_001759 COc1ccc2c3[C@H](OCC=C(C)C)[C@]4(O)N([C@H]5CC(C)(C)OO[C@H](C=C(C)C)n(c53)c2c1)C(=O)[C@@H]6CCCN6C4=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 H24 compound treatment 1.016 0.0169 0.49 1.019 0.0199 0.59 0.7614 0.9958 1055133 ACon1_001760 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I01 compound treatment 0.99 -0.00911 -0.26 1.006 0.00687 0.2 -0.0428 -0.1286 3615574 ACon1_001761 CNC1CCC23CC34CCC5(C)C(C(C)N(C)C(=O)C)C(O)CC5(C)C4CCC2C1=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I02 compound treatment 1.029 0.0299 0.87 1.015 0.0159 0.47 0.944 0.9587 3615576 ACon1_001762 C[C@@H]1O[C@@H](OC(=O)[C@@]23CCC(C)(C)CC3C4=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H](O[C@@H]8OC[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@@H]%10O)[C@@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I03 compound treatment 1.005 0.00589 0.17 1.004 0.00487 0.14 0.2225 0.9965 3555361 ACon1_001763 COCC1C(=O)O[C@H]2C[C@@]3(C)OC(=O)/C(=C/C)/[C@]43CC[C@@](C)(O)CC(=O)[C@]12O4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I04 compound treatment 0.989 -0.0101 -0.29 0.986 -0.0131 -0.39 -0.4814 -0.9903 3615580 ACon1_001764 CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1O)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I05 mock treatment 0.99 -0.00911 -0.26 0.996 -0.00313 -0.09 -0.2519 -0.9011 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I06 mock treatment 0.987 -0.0121 -0.35 0.992 -0.00713 -0.21 -0.3969 -0.9703 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I07 compound treatment 1.045 0.0459 1.33 1.022 0.0229 0.68 1.418 0.9509 3615585 ACon1_001765 O[C@@H]1[C@@H](COC(=O)/C=C/c2ccc(O)cc2)O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H]1OC(=O)/C=C/c6ccc(O)cc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I08 compound treatment 1.036 0.0369 1.07 1.036 0.0369 1.09 1.5264 0.9999 3615588 ACon1_001766 C[C@H]1[C@H](O)C=CC2=CC(=O)[C@@](O)(C[C@]12C)C(=C)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I09 compound treatment 0.989 -0.0101 -0.29 0.991 -0.00813 -0.24 -0.3769 -0.9952 3554244 ACon1_001767 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I10 compound treatment 1.001 0.00189 0.05 1.003 0.00387 0.11 0.1197 0.9429 3615592 ACon1_001768 C[C@H]1CCc2ccncc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)C)[C@@H](O)[C@H](O)[C@]4(C)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I11 compound treatment 0.991 -0.00811 -0.23 0.996 -0.00313 -0.09 -0.2314 -0.9169 3555007 ACon1_001769 COc1cc(OC)c2c(O)c3C(=O)CC(C)(O)Oc3cc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I12 compound treatment 0.979 -0.0201 -0.58 1.002 0.00287 0.09 -0.3517 -0.5976 3615597 ACon1_001770 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I13 compound treatment 0.988 -0.0111 -0.32 0.983 -0.0161 -0.48 -0.5646 -0.9817 3615600 ACon1_001771 COc1ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I14 compound treatment 1.014 0.0149 0.43 1.001 0.00187 0.06 0.3441 0.7915 3615602 ACon1_001772 COc1cc(O)c-2c(CCc3cc(O)c(OC)cc32)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I15 compound treatment 1.009 0.00989 0.29 0.987 -0.0121 -0.36 -0.0509 -0.111 3615604 ACon1_001773 O[C@@H]1[C@@H](Oc2c([C@H]3C[C@@H](Oc4cc(O)ccc34)c5ccc(O)c(O)c5)c(O)cc(O)c2C1=O)c6ccc(O)c(O)c6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I16 compound treatment 1.015 0.0159 0.46 1.029 0.0299 0.88 0.95 0.9538 3615608 ACon1_001774 CC1(C)C2CC[C@]3(C[C@H]4CC[C@H]3[C@@]52CC[C@@]1(O)OC5)CC4(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I17 compound treatment 0.998 -0.00111 -0.03 0.996 -0.00313 -0.09 -0.0881 -0.9001 3615612 ACon1_001775 OC[C@H]1O[C@@H](Oc2ccc(C(=O)CCc3ccc(O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I18 compound treatment 1.014 0.0149 0.43 1.005 0.00587 0.17 0.4278 0.9201 3558031 ACon1_001776 COc1ccc(/C=C/C(=O)OC2C(C)OC(OC3C4OC4(CO)C5C3C=COC5OC6OC(CO)C(O)C(O)C6O)C(O)C2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I19 compound treatment 1.03 0.0309 0.89 1.032 0.0329 0.97 1.3199 0.9991 3554120 ACon1_001777 CCC(C)[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I20 compound treatment 1.026 0.0269 0.78 1.017 0.0179 0.53 0.9244 0.9822 3559162 ACon1_001778 Oc1ccc(cc1)[C@H]2[C@H]([C@@H]3[C@H](c4ccc(O)cc4)c5ccc(O)cc5OC3=O)C(=O)Oc6cc(O)ccc26 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I21 mock treatment 0.994 -0.00511 -0.15 0.995 -0.00413 -0.12 -0.1909 -0.9954 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I22 mock treatment 0.988 -0.0111 -0.32 0.996 -0.00313 -0.09 -0.2928 -0.8748 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I23 compound treatment 1.036 0.0369 1.07 1.013 0.0139 0.41 1.0455 0.9136 3615618 ACon1_001779 COc1cc(CCC(=O)O)oc(=O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 I24 compound treatment 0.981 -0.0181 -0.52 0.996 -0.00313 -0.09 -0.4362 -0.8191 3615620 ACon1_001780 CC(C)C(=C)CCC(C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(=O)C)[C@]12C)[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)C4CC3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J01 compound treatment 1.015 0.0159 0.46 1.013 0.0139 0.41 0.6155 0.9984 3615624 ACon1_001781 CC(=CCc1c(O)ccc2cc(O)c(=O)oc12)COC3OC(CO)C(O)C(O)C3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J02 compound treatment 1.006 0.00689 0.2 0.995 -0.00413 -0.12 0.0549 0.2346 3615625 ACon1_001782 CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC65C)C(=O)OC8OC(CO)C(OC9OCC(OC%10OCC(O)C(O)C%10O)C(O)C9O)C(O)C8O)C3(C)C)OC(C2O)C(=O)O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J03 compound treatment 0.985 -0.0141 -0.41 0.986 -0.0131 -0.39 -0.5633 -0.9997 3615627 ACon1_001783 CC1(CO)CC(O)[C@@]2(CCC34CC4(C=CC5[C@@]6(C)C[C@@H](O)[C@H](O)C(CO)(CO)C6CC[C@]53C)C2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J04 compound treatment 0.997 -0.00211 -0.06 0.992 -0.00713 -0.21 -0.1922 -0.8761 3558573 ACon1_001784 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](O)C(C)(C)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J05 mock treatment 0.996 -0.00311 -0.09 0.976 -0.0231 -0.68 -0.5471 -0.7934 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J06 mock treatment 0.986 -0.0131 -0.38 1.002 0.00287 0.09 -0.2084 -0.5355 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J07 compound treatment 1.004 0.00489 0.14 1.013 0.0139 0.41 0.3902 0.8992 3615632 ACon1_001785 COc1cc(O)cc(C)c1C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(OC)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J08 compound treatment 1.022 0.0229 0.66 1.024 0.0249 0.74 0.9888 0.9987 3559809 ACon1_001786 CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC2CCC3(C)C(CC[C@@H]4[C@@H]3CCC5(C)C(C(O)CC45O)C6=CC(=O)OC6)C2)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J09 compound treatment 0.982 -0.0171 -0.5 0.992 -0.00713 -0.21 -0.4993 -0.9274 3557709 ACon1_001787 COc1cc(cc(OC)c1O)C2C(COC3OC(CO)C(O)C(O)C3O)C(CO)Cc4cc(OC)c(O)c(OC)c24 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J10 compound treatment 0.991 -0.00811 -0.23 0.996 -0.00313 -0.09 -0.2314 -0.9169 3559803 ACon1_001788 CC12CC[C@H]3C(CCC4(O)CC(O)CCC34O)C2(O)CCC1C5=CC(=O)OC5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J11 compound treatment 1.104 0.105 3.04 1.027 0.0279 0.82 2.7308 0.8676 3559166 ACon1_001789 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5ccc4c3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J12 compound treatment 1.032 0.0329 0.95 1.026 0.0269 0.79 1.2354 0.9959 3615637 ACon1_001790 O[C@@H]1CO[C@@H](OC(CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J13 compound treatment 1.032 0.0329 0.95 1.036 0.0369 1.09 1.4445 0.9977 3557350 ACon1_001791 C[C@@H]1CC(=O)c2c(C1)ccc3C(=O)c4c(O)cccc4C(=O)c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J14 compound treatment 0.999 -1.09E-4 0.0 0.996 -0.00313 -0.09 -0.0676 -0.7309 3615642 ACon1_001792 CC1(CCCC2(C)C3CCC(=C)C(C=C)C3CCC12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J15 compound treatment 1.042 0.0429 1.24 1.024 0.0249 0.74 1.3984 0.9687 3615644 ACon1_001793 Cc1cc2c(CO)cc(SCC(O)C(=O)O)cc2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J16 compound treatment 1.011 0.0119 0.34 0.995 -0.00413 -0.12 0.1573 0.4305 3615646 ACon1_001794 OCC1OC(Oc2c(O)cccc2COC(=O)C3(O)C=CCCC3=O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J17 compound treatment 0.999 -1.09E-4 0.0 1.017 0.0179 0.53 0.3715 0.7029 3615649 ACon1_001795 OC(CNC(=O)/C=C/c1ccc(O)cc1)c2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J18 compound treatment 1.009 0.00989 0.29 1.01 0.0109 0.32 0.4299 0.9983 3615653 ACon1_001796 C[C@@H]1O[C@H]2Oc3c(oc4cc(O)c(c(O)c4c3=O)-c5cc(/C=C/C(=O)OC[C@H]6O[C@@H](O[C@H]([C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]6O)ccc5O)c7ccc(O)cc7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J19 compound treatment 0.82 -0.179 -5.19 0.835 -0.164 -4.85 -7.0991 -0.9994 3615657 ACon1_001797 COCC1OC(OC(C)(C)C(O)CCC2(C)C/C(=C/3\CCC4C3(C)CC(O)C5OC(CCC45C)C(C)(C)OC6OC(COC)C(O)C(O)C6NC(=O)C)/CCC2O)C(NC(=O)C)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J20 compound treatment 1.01 0.0109 0.32 1.002 0.00287 0.09 0.2831 0.8668 3615662 ACon1_001798 CC1OC(Oc2cc(O)c3c(=O)cc(oc3c2C4OC(CO)C(O)C(O)C4O)c5ccc(O)cc5)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J21 mock treatment 0.991 -0.00811 -0.23 1.012 0.0129 0.38 0.1031 0.2305 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J22 mock treatment 0.995 -0.00411 -0.12 0.983 -0.0161 -0.48 -0.4213 -0.8573 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J23 compound treatment 1.105 0.106 3.07 1.087 0.0879 2.6 4.0056 0.9966 3615664 ACon1_001799 CC(C)CC1NC(=O)C(CC(C)C)N(O[C@@H]2O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 J24 compound treatment 0.992 -0.00711 -0.21 1.014 0.0149 0.44 0.1654 0.3406 3615667 ACon1_001800 COc1ccc2nccc(C(O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K01 compound treatment 1.025 0.0259 0.75 1.01 0.0109 0.32 0.7576 0.9286 3615669 ACon1_001801 CCN1CC2(COC)CCC(O)C3(C4CC5C(O)C4C(O)(CC5OC)C6C(OC)C32)C61 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K02 compound treatment 1.003 0.00389 0.11 1.022 0.0229 0.68 0.5579 0.8137 3615671 ACon1_001802 CC1=CCC(CC1)C(C)(C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K03 compound treatment 1.007 0.00789 0.23 0.998 -0.00113 -0.03 0.1381 0.5979 3558951 ACon1_001803 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K04 compound treatment 1.015 0.0159 0.46 1.017 0.0179 0.53 0.6991 0.9976 3615676 ACon1_001804 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(CC=C)cc3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K05 compound treatment 1.012 0.0129 0.37 1.006 0.00687 0.2 0.4077 0.9592 3555002 ACon1_001805 COc1cc(oc(=O)c1)[C@H](Cc2ccccc2)NC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K06 compound treatment 1.008 0.00889 0.26 1.014 0.0149 0.44 0.493 0.9675 3615680 ACon1_001806 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K07 mock treatment 1.021 0.0219 0.63 1.005 0.00587 0.17 0.5711 0.8688 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K08 mock treatment 1.026 0.0269 0.78 1.005 0.00587 0.17 0.6735 0.8441 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K09 compound treatment 1.016 0.0169 0.49 1.003 0.00387 0.11 0.4269 0.8497 3553885 ACon1_001807 CC1(CC(=O)O)CCC2(O1)C(=CCC3C(C)(C)C(O)CCC32C)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K10 compound treatment 1.008 0.00889 0.26 0.993 -0.00613 -0.18 0.054 0.1716 3615685 ACon1_001808 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)/C=C\c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K11 compound treatment 1.005 0.00589 0.17 0.993 -0.00613 -0.18 -0.0074 -0.0298 3558491 ACon1_001809 COc1cc(ccc1O)[C@H]2OC[C@@H]3[C@H](OC[C@H]23)c4ccc(O)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K12 compound treatment 1.044 0.0449 1.3 1.041 0.0419 1.24 1.7947 0.9997 3615689 ACon1_001810 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)O)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K13 compound treatment 0.753 -0.246 -7.13 0.798 -0.201 -5.95 -9.2447 -0.9959 3557476 ACon1_001811 OCC1OC(C(O)C(O)C1O)c2c(O)c(C3OCC(O)C(O)C3O)c4oc(cc(=O)c4c2O)c5ccc(O)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K14 compound treatment 1.022 0.0229 0.66 1.015 0.0159 0.47 0.8007 0.9857 3615693 ACon1_001812 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K15 mock treatment 0.993 -0.00611 -0.18 1.008 0.00887 0.26 0.0604 0.191 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K16 mock treatment 1.03 0.0309 0.89 0.98 -0.0191 -0.57 0.2328 0.2199 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K17 compound treatment 1.012 0.0129 0.37 1.019 0.0199 0.59 0.6795 0.976 3615697 ACon1_001813 CC(=CCc1cc(CC(N)C(=O)O)ccc1O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K18 compound treatment 1.041 0.0419 1.21 1.037 0.0379 1.12 1.6497 0.9992 3615699 ACon1_001814 Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K19 compound treatment 1.013 0.0139 0.4 1.012 0.0129 0.38 0.5536 0.9996 1012497 ACon1_001815 NC(Cc1c[nH]c2ccccc12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K20 compound treatment 1.021 0.0219 0.63 1.044 0.0449 1.33 1.3865 0.9429 3558198 ACon1_001816 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K21 compound treatment 1.127 0.128 3.7 1.088 0.0889 2.63 4.477 0.9859 3615703 ACon1_001817 COC(CCc1ccc(O)c(O)c1)CC(=O)CCc2ccc(O)c(O)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K22 compound treatment 1.035 0.0359 1.04 1.027 0.0279 0.82 1.3177 0.9934 3615705 ACon1_001818 C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K23 mock treatment 0.984 -0.0151 -0.44 1.007 0.00787 0.23 -0.1448 -0.2921 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 K24 mock treatment 0.981 -0.0181 -0.52 1.005 0.00587 0.17 -0.248 -0.4489 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L01 compound treatment 1.012 0.0129 0.37 1.033 0.0339 1.0 0.9722 0.9095 3557532 ACon1_001819 C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](C[C@@]1(C)O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L02 compound treatment 1.0 8.91E-4 0.03 0.988 -0.0111 -0.33 -0.2143 -0.6497 3615710 ACon1_001820 COc1c(O)c2c(=O)c(O)c(oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L03 compound treatment 1.017 0.0179 0.52 1.024 0.0249 0.74 0.8864 0.9853 3615714 ACon1_001821 COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1Cc3ccccc3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L04 compound treatment 1.02 0.0209 0.61 1.003 0.00387 0.11 0.5088 0.8263 3615716 ACon1_001822 C[C@@]1([C@H](O)CC[C@]2(C)C3CCC(=C)[C@H](C=C)[C@@H]3CC[C@@]12O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L05 compound treatment 0.999 -1.09E-4 0.0 0.99 -0.00913 -0.27 -0.193 -0.7154 3615720 ACon1_001823 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)C=C3CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L06 compound treatment 1.0 8.91E-4 0.03 0.954 -0.0451 -1.33 -0.9252 -0.6933 3557431 ACon1_001824 CC(C)CCCCCCCCC/C=C/C(=O)NC1C(O)C(O)C(CC(O)C2OC(C(O)C2O)n3ccc(=O)[nH]c3=O)OC1OC4OC(CO)C(O)C(O)C4NC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L07 mock treatment 1.01 0.0109 0.32 0.981 -0.0181 -0.54 -0.1559 -0.2507 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L08 mock treatment 1.015 0.0159 0.46 0.996 -0.00313 -0.09 0.2601 0.5541 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L09 compound treatment 0.999 -1.09E-4 0.0 0.996 -0.00313 -0.09 -0.0676 -0.7309 3615722 ACon1_001825 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C5(C)C(O)(CCC54O)C(=O)C)C2)OC(C)C1OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L10 compound treatment 1.031 0.0319 0.92 1.036 0.0369 1.09 1.424 0.9966 3559811 ACon1_001826 C[C@H]1O[C@H](C[C@H](OC(=O)C)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3O)OC4CC(O)C5(C)C(CC[C@@H]6[C@@H]5CCC7(C)C(CCC67O)C8=CC(=O)OC8)C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L11 compound treatment 1.005 0.00589 0.17 0.847 -0.152 -4.5 -3.0598 -0.6798 3615725 ACon1_001827 COC(=O)C(NC(=O)c1cccc(NC=O)c1O)C(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L12 compound treatment 1.028 0.0289 0.84 1.04 0.0409 1.21 1.4462 0.9839 3615727 ACon1_001828 Cc1cc2C(=O)OC(c2c(O)c1)c3c(O)cccc3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L13 compound treatment 0.989 -0.0101 -0.29 1.003 0.00387 0.11 -0.126 -0.4008 3557341 ACon1_001829 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)O[C@@]91CC[C@@](C)(CO)O9 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L14 compound treatment 1.003 0.00389 0.11 0.974 -0.0251 -0.74 -0.4456 -0.5931 3615729 ACon1_001830 COC1CC(OC2C(C)OC(CC2OC)OC3C(C)OC(CC3OC)OC4C(C)OCC(OC5C(O)C(O[C@H]6CC[C@]7(C)C8CC(OC(=O)c9ccccc9)[C@]%10(C)[C@@](O)(CC[C@]%10(O)[C@]8(O)CC=C7C6)C(=O)C)OC(CO)C5OC%11OC(CO)C(O)C(O)C%11O)C4OC)OC(C)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L15 mock treatment 1.003 0.00389 0.11 1.013 0.0139 0.41 0.3698 0.8691 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L16 mock treatment 0.992 -0.00711 -0.21 1.005 0.00587 0.17 -0.0228 -0.0845 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L17 compound treatment 1.03 0.0309 0.89 1.048 0.0489 1.45 1.6544 0.9734 3559248 ACon1_001831 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OC(=O)[C@@]34CCC(C)(C)C[C@H]4C5=CCC6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@]5(C)C[C@H]3O)[C@H](O)[C@H](O)[C@H]1O[C@@H]9OC[C@@H](O)[C@H](O[C@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L18 compound treatment 1.005 0.00589 0.17 1.017 0.0179 0.53 0.4943 0.8901 3615734 ACon1_001832 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(COC(=O)c6cc(O)c(O)c(O)c6)C5[C@H](O)C[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L19 compound treatment 1.03 0.0309 0.89 1.041 0.0419 1.24 1.508 0.9873 3615738 ACon1_001833 C/C(=C\CC(C)(C)CCC(=O)c1ccoc1)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L20 compound treatment 1.024 0.0249 0.72 1.016 0.0169 0.5 0.8625 0.9838 3615742 ACon1_001834 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COC(=O)c5ccccc5)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L21 compound treatment 1.01 0.0109 0.32 1.012 0.0129 0.38 0.4922 0.9956 3559153 ACon1_001835 CC/C=C\C[C@H]1[C@@H](CCCCCCCC(=O)O)C=CC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L22 compound treatment 1.033 0.0339 0.98 1.026 0.0269 0.79 1.2559 0.9945 3615746 ACon1_001836 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L23 mock treatment 1.013 0.0139 0.4 1.008 0.00887 0.26 0.47 0.9786 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 L24 mock treatment 0.991 -0.00811 -0.23 1.005 0.00587 0.17 -0.0432 -0.148 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M01 compound treatment 0.995 -0.00411 -0.12 0.978 -0.0211 -0.62 -0.5258 -0.827 3615749 ACon1_001837 COc1ccc2[nH]c3C4CC/5C(CO)C(Cc3c2c1)N4C\C5=C\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M02 compound treatment 0.997 -0.00211 -0.06 0.991 -0.00813 -0.24 -0.2131 -0.8596 3615752 ACon1_001838 C[C@@H]1O[C@@H](OC(=O)[C@@]23CCC(C)(C)CC3C4=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H](O[C@@H]8OC[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M03 compound treatment 0.988 -0.0111 -0.32 0.989 -0.0101 -0.3 -0.4392 -0.9994 3557747 ACon1_001839 C/C(=C\C(=O)O)/CCC1C(C)(O)CCC2C(C)(CO)CCCC12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M04 compound treatment 1.011 0.0119 0.34 0.996 -0.00313 -0.09 0.1782 0.4997 3615755 ACon1_001840 CCC(C)CCC(O)C1CC(CO)OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M05 compound treatment 0.911 -0.0881 -2.55 0.95 -0.0491 -1.45 -2.8314 -0.9643 3554765 ACon1_001841 COc1c(O)c2c(CCC3C(C)(C)[C@@H]4CC[C@@]32C(=O)O4)cc1C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M06 compound treatment 1.017 0.0179 0.52 1.009 0.00987 0.29 0.5728 0.9632 3615758 ACon1_001842 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M07 compound treatment 0.991 -0.00811 -0.23 0.989 -0.0101 -0.3 -0.3777 -0.9928 812 ACon1_001843 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M08 compound treatment 0.999 -1.09E-4 0.0 0.99 -0.00913 -0.27 -0.193 -0.7154 3615763 ACon1_001844 CCCCCC/C=C\[N+](=N[C@@H](COC)[C@H](C)O)[O-] 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M09 mock treatment 0.993 -0.00611 -0.18 0.986 -0.0131 -0.39 -0.3995 -0.9367 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M10 mock treatment 0.965 -0.0341 -0.99 0.969 -0.0301 -0.89 -1.3283 -0.9987 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M11 compound treatment 0.996 -0.00311 -0.09 0.561 -0.438 -12.95 -9.2233 -0.712 3615766 ACon1_001845 CCC/C=C/C=C/C1CC(O)C(O)C1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M12 compound treatment 0.991 -0.00811 -0.23 1.005 0.00587 0.17 -0.0432 -0.148 3615770 ACon1_001846 CC1CC(=O)CC(C)(C)C1(O)/C=C/C(CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M13 mock treatment 0.982 -0.0171 -0.5 0.978 -0.0211 -0.62 -0.792 -0.9934 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M14 mock treatment 0.98 -0.0191 -0.55 0.986 -0.0131 -0.39 -0.6657 -0.9849 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M15 compound treatment 0.968 -0.0311 -0.9 0.97 -0.0291 -0.86 -1.246 -0.9997 3615774 ACon1_001847 OC1Cc2c(OC1c3ccc(O)c(O)c3)cc(O)c4C(CC(Oc24)c5ccc(O)c(O)c5)c6ccc(O)c(O)c6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M16 compound treatment 0.974 -0.0251 -0.73 1.001 0.00187 0.06 -0.475 -0.6513 3615776 ACon1_001848 COc1cc(CCC(O)CC(=O)CCc2ccc(O)cc2)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M17 compound treatment 1.003 0.00389 0.11 0.994 -0.00513 -0.15 -0.0275 -0.1455 3615778 ACon1_001849 COc1c(O)c(C(=O)CCc2ccccc2)c(OC)c(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M18 compound treatment 1.0 8.91E-4 0.03 0.997 -0.00213 -0.06 -0.0262 -0.3856 3615780 ACon1_001850 CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CC1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M19 compound treatment 1.008 0.00889 0.26 1.005 0.00587 0.17 0.3049 0.9816 3615782 ACon1_001851 CC(C)(C=C)[C@]12C[C@@H]3N([C@@H]2Nc4ccccc41)C(=O)c5ccccc5NC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M20 compound treatment 1.043 0.0439 1.27 1.02 0.0209 0.62 1.3352 0.9449 3615785 ACon1_001852 CC1=CC2OC3[C@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)CC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M21 compound treatment 1.037 0.0379 1.1 1.01 0.0109 0.32 1.0033 0.8774 3615790 ACon1_001853 CC1C[C@]2(CC3C(C)(C)[C@@]4(C[C@]53CN2C1=O)C(=O)Nc6c4ccc7OC(C)(C)CC(=O)c67)C(=O)N5C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M22 compound treatment 1.018 0.0189 0.55 1.018 0.0189 0.56 0.7815 1.0 3557357 ACon1_001854 CC(C)[C@@H](OC(=O)C)c1nc2ccccc2c(=O)n1[C@@H]3C[C@]4(OC3=O)[C@H]5N(O)[C@@H](C)C(=O)N5c6ccccc64 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M23 compound treatment 0.997 -0.00211 -0.06 0.99 -0.00913 -0.27 -0.234 -0.8458 3559013 ACon1_001855 Oc1ccc(cc1)[C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2c4c(O)cc(O)c5c(=O)cc(oc45)c6ccc(O)cc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 M24 compound treatment 1.007 0.00789 0.23 1.007 0.00787 0.23 0.3262 1.0 3559205 ACon1_001856 COc1cc(cc(OC)c1OC)[C@H]2OC[C@@H]3[C@@H](OC[C@H]23)c4cc(OC)c(OC)c(OC)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N01 compound treatment 1.059 0.0599 1.73 1.065 0.0659 1.95 2.6037 0.9983 3615795 ACon1_001857 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C5(C)C(O)(CCC54O)C(C)O)C2)OC(C)C1OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N02 compound treatment 0.978 -0.0211 -0.61 0.987 -0.0121 -0.36 -0.6858 -0.9677 3615797 ACon1_001858 C[C@@H]1OC(=O)[C@]2(C(=C)[C@@]3(C)OC(=O)[C@@]12O)C4(C)CC[C@]5(C=CC(=O)OC5(C)C)C(=C4[C@H]3OC(=O)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N03 compound treatment 1.001 0.00189 0.05 0.996 -0.00313 -0.09 -0.0266 -0.2478 3615800 ACon1_001859 C/C=C/C1C2OC3=C(C(=O)OC3(C)O)C(=O)C1(C)C4CC(O)C(C)CC4C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N04 compound treatment 1.002 0.00289 0.08 0.986 -0.0131 -0.39 -0.2152 -0.5421 3615805 ACon1_001860 COc1cc(ccc1O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc3ccc(/C=C/CO)cc3OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N05 compound treatment 1.011 0.0119 0.34 1.002 0.00287 0.09 0.3036 0.856 3615808 ACon1_001861 C/C(=C\Cc1c(O)ccc2ccc(=O)oc12)/CO[C@@H]3O[C@H](COC(=O)CC(=O)OC[C@H]4O[C@@H](OC(C)(C)C5Cc6cc7cc(O)c(=O)oc7cc6O5)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N06 compound treatment 0.996 -0.00311 -0.09 0.986 -0.0131 -0.39 -0.3381 -0.8486 3557396 ACon1_001862 COC(=O)c1cc(C)cc(OC)c1C2=C(O)C(=O)c3c(O)cccc3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N07 compound treatment 1.01 0.0109 0.32 1.007 0.00787 0.23 0.3877 0.9888 3615812 ACon1_001863 COc1cc-2c(CCc3cc(O)c(O)cc32)c(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N08 compound treatment 0.884 -0.115 -3.33 0.875 -0.124 -3.67 -4.9523 -0.9988 3557452 ACon1_001864 C[C@@]12CCC3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@]1(O)C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N09 mock treatment 0.98 -0.0191 -0.55 0.993 -0.00613 -0.18 -0.5194 -0.892 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N10 mock treatment 0.983 -0.0161 -0.47 0.975 -0.0241 -0.71 -0.8343 -0.9788 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N11 compound treatment 1.005 0.00589 0.17 0.99 -0.00913 -0.27 -0.0701 -0.2197 3615814 ACon1_001865 CC1CC(=O)C2=C(CCC34OC42C(=O)c5cccc(O)c5C3O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N12 compound treatment 0.989 -0.0101 -0.29 0.979 -0.0201 -0.6 -0.6278 -0.9466 3554299 ACon1_001866 CCCCCCCCCC[C@H](C(=O)O)[C@@](O)(CCC(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N13 mock treatment 0.98 -0.0191 -0.55 0.989 -0.0101 -0.3 -0.603 -0.9584 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N14 mock treatment 0.977 -0.0221 -0.64 0.981 -0.0181 -0.54 -0.8317 -0.9961 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N15 compound treatment 1.013 0.0139 0.4 1.014 0.0149 0.44 0.5954 0.999 2121 ACon1_001867 Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N16 compound treatment 0.991 -0.00811 -0.23 0.995 -0.00413 -0.12 -0.2523 -0.9534 3615816 ACon1_001868 CC(C1CC(O)C(C)(C)O1)C2CC[C@@]3(C)C4CC[C@H]5C(C)C(CC[C@]65C[C@@]46CC[C@]23C)OC7OC(COC(=O)C)C(OC8OC(CO)C(OC9OC(CO)C(O)C(O)C9O)C(OC%10OC(C)C(O)C(O)C%10O)C8O)C(OC(=O)C)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N17 compound treatment 1.02 0.0209 0.61 1.049 0.0499 1.47 1.4705 0.9226 3615822 ACon1_001869 CC12CC(OC(=O)C2CCC3(C)C1C4OC(=O)C3(O)C5OC54)c6ccoc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N18 compound treatment 0.984 -0.0151 -0.44 0.988 -0.0111 -0.33 -0.542 -0.9901 3615824 ACon1_001870 C/C(=C\Cc1c(O)cc2oc(C)cc(=O)c2c1O)/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N19 compound treatment 1.01 0.0109 0.32 1.014 0.0149 0.44 0.534 0.9867 3615829 ACon1_001871 COCC1OC(OC(C)(C)C2CCC3(C)C4CC/C(=C\5/CCC(O)C(C)(CCC(O)C(C)(C)O)C5)/C4(C)CC(O)C3O2)C(NC(=O)C)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N20 compound treatment 0.976 -0.0231 -0.67 0.999 -1.25E-4 0.0 -0.4759 -0.711 3615833 ACon1_001872 CCCCCC1CC(CC(=O)O1)OC2OC(CO)C(O)C(O)C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N21 compound treatment 0.998 -0.00111 -0.03 1.019 0.0199 0.59 0.3928 0.6674 3554654 ACon1_001873 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@H](O)C5[C@@](C)(C=CC(=O)[C@]15C)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N22 compound treatment 0.993 -0.00611 -0.18 0.996 -0.00313 -0.09 -0.1904 -0.9541 3558591 ACon1_001874 CC(=CCC[C@@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N23 compound treatment 0.987 -0.0121 -0.35 1.003 0.00387 0.11 -0.167 -0.4526 3615837 ACon1_001875 C[C@@H]1CCC2C(C)(C)[C@@H](CC[C@]2(C)[C@]31Cc4c(O3)c5CNC(=O)c5cc4O)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 N24 compound treatment 1.003 0.00389 0.11 0.991 -0.00813 -0.24 -0.0902 -0.3399 3615844 ACon1_001876 COC(=O)C12C(O)C34CC2N5C/C(=C/C)/C1CC5C4N(C)c6ccccc63 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O01 compound treatment 0.998 -0.00111 -0.03 1.008 0.00887 0.26 0.1628 0.6159 3615850 ACon1_001877 COc1cc2CCNC3Cc4ccccc4-c(c1OC)c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O02 compound treatment 1.008 0.00889 0.26 1.025 0.0259 0.77 0.723 0.8957 3615852 ACon1_001878 C[C@@H]1O[C@@H](OC2C(O)C(O)C(CO)OC2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7C8CC(C)(C)C(O)C(O)[C@]8(C)CC[C@]76C)C4(C)C)C(=O)O)[C@H](O)[C@H](O)[C@H]1OC9OCC(O)C(O)C9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O03 compound treatment 1.007 0.00789 0.23 1.008 0.00887 0.26 0.3471 0.9976 3552644 ACon1_001879 C[C@@H]1C[C@]2(O[C@H](O)[C@@]3(C)O[C@H]32)O[C@H]4C[C@@]5(C)[C@@H]6CC[C@@H]7[C@]8(C[C@@]68C[C@@H](OC(=O)C)[C@]5(C)[C@H]41)CC[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)C7(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O04 compound treatment 1.033 0.0339 0.98 1.035 0.0359 1.06 1.444 0.9992 3615859 ACon1_001880 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O05 compound treatment 1.01 0.0109 0.32 1.008 0.00887 0.26 0.4086 0.9958 3558011 ACon1_001881 CC(=O)OC[C@]1(C)CC2[C@]3(CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3OC%10OCC(OC%11OC(CO)C(O)C(O)C%11O)C(O)C%10O)[C@@H](O)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O06 compound treatment 1.04 0.0409 1.18 1.048 0.0489 1.45 1.8592 0.9951 3615865 ACon1_001882 CC1C2CC3(CC(O)C4C(C)(CCCC4(C)C3(O)CC2)C(=O)OC5OC(CO)C(O)C(O)C5O)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O07 compound treatment 1.08 0.0809 2.34 1.081 0.0819 2.42 3.3682 0.9999 3554487 ACon1_001883 CN1C(Cc2ccccc2)C(=O)Nc3ccccc3C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O08 compound treatment 1.041 0.0419 1.21 1.055 0.0559 1.65 2.026 0.9885 3615867 ACon1_001884 CC(=O)O[C@@H]1C[C@@]2(CO2)[C@](O)(CCc3ccoc3)[C@]4(CCC[C@@]5(C)C14)COC5=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O09 compound treatment 0.865 -0.134 -3.88 0.872 -0.127 -3.76 -5.4041 -0.9999 3615872 ACon1_001885 COC(=O)c1cccc(OC(C)C(=O)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O10 compound treatment 0.99 -0.00911 -0.26 1.006 0.00687 0.2 -0.0428 -0.1286 3615878 ACon1_001886 CC1C(C)c2cccnc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)C)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O11 mock treatment 0.985 -0.0141 -0.41 1.01 0.0109 0.32 -0.0616 -0.1184 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O12 mock treatment 1.003 0.00389 0.11 1.012 0.0129 0.38 0.3488 0.8787 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O13 compound treatment 1.009 0.00989 0.29 1.019 0.0199 0.59 0.6181 0.9454 3615884 ACon1_001887 CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O14 compound treatment 1.011 0.0119 0.34 1.011 0.0119 0.35 0.4918 1.0 3615887 ACon1_001888 CC(C)(O)C(O)Cc1cc(O)ccc1OC2OC(CO)C(O)C(O)C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O15 compound treatment 1.128 0.129 3.73 1.104 0.105 3.1 4.832 0.9958 3558264 ACon1_001889 O[C@@H]1C[C@](C[C@@H](O)[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)(OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O16 compound treatment 1.009 0.00989 0.29 1.014 0.0149 0.44 0.5135 0.9784 3615891 ACon1_001890 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)C1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O17 compound treatment 1.009 0.00989 0.29 1.023 0.0239 0.71 0.7017 0.9211 3615895 ACon1_001891 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O18 compound treatment 0.993 -0.00611 -0.18 1.014 0.0149 0.44 0.1859 0.3921 3615900 ACon1_001892 COC(=O)c1cc2cc(O)c(c(O)c2c(=O)o1)c3c(O)cc4cc(oc(=O)c4c3O)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O19 compound treatment 0.998 -0.00111 -0.03 1.005 0.00587 0.17 0.1001 0.5667 3615903 ACon1_001893 CC(=O)NC(CSC(CO)CCCCCCCCCC(=O)O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O20 compound treatment 0.71 -0.289 -8.37 0.735 -0.264 -7.81 -11.4424 -0.9994 3559173 ACon1_001894 COc1cc(OC)c(cc1OC)C(O)C(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O21 compound treatment 0.998 -0.00111 -0.03 1.019 0.0199 0.59 0.3928 0.6674 3615908 ACon1_001895 Cn/1c(=O)\c(=C\c2ccccc2)\n(C)c(=O)\c1=C\c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O22 compound treatment 1.037 0.0379 1.1 1.055 0.0559 1.65 1.9441 0.9802 3559164 ACon1_001896 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O23 compound treatment 1.01 0.0109 0.32 1.023 0.0239 0.71 0.7222 0.9341 3615916 ACon1_001897 CCC/C=C/C=C/C1CC(O)C(O)C(O)C1CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 O24 compound treatment 1.098 0.0989 2.86 1.086 0.0869 2.57 3.8414 0.9985 3557540 ACon1_001898 COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P01 compound treatment 0.98 -0.0191 -0.55 0.993 -0.00613 -0.18 -0.5194 -0.892 3615923 ACon1_001899 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C(O)C1O)[C@H]2CC(O)[C@@]3(C)C4CC[C@@H]5[C@]6(C[C@@]46CC(O)[C@]23C)CC[C@H](O[C@@H]7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C5(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P02 compound treatment 0.996 -0.00311 -0.09 1.004 0.00487 0.14 0.0382 0.225 3615928 ACon1_001900 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P03 compound treatment 1.015 0.0159 0.46 1.023 0.0239 0.71 0.8246 0.9785 3615934 ACon1_001901 CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(=O)O)[C@](C)(CO)C5CC[C@@]4(C)C3(C)CC[C@@]2(C)[C@H](OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P04 compound treatment 1.004 0.00489 0.14 0.982 -0.0171 -0.51 -0.2579 -0.4905 3615941 ACon1_001902 CCC(C)CCCCCCCCC1CC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P05 compound treatment 1.018 0.0189 0.55 1.039 0.0399 1.18 1.2205 0.9391 3615944 ACon1_001903 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9O)C(OC)C8O)C(C)O7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P06 compound treatment 1.008 0.00889 0.26 1.007 0.00787 0.23 0.3467 0.9987 3553131 ACon1_001904 C[C@H]1CC[C@@H]2[C@H]([C@@H](C)C=C[C@H]2C1)C(=O)c3c(O)c(cn(O)c3=O)[C@]4(O)CC[C@@H](O)[C@H]5O[C@H]54 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P07 compound treatment 1.033 0.0339 0.98 1.038 0.0389 1.15 1.5068 0.9969 3615949 ACon1_001905 COC1OC(OC)C(O)(CC[C@@]2(O)[C@H](C)C[C@@H](O)C3[C@@](C)(CO)CCC[C@]32C)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P08 compound treatment 1.0 8.91E-4 0.03 1.009 0.00987 0.29 0.2247 0.7666 3557451 ACon1_001906 C[C@@]12C[C@H](O)C3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P09 compound treatment 1.014 0.0149 0.43 1.026 0.0269 0.79 0.8668 0.9588 3615955 ACon1_001907 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P10 compound treatment 0.876 -0.123 -3.57 0.882 -0.117 -3.46 -4.9697 -0.9999 3559822 ACon1_001908 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(CCC54C)C(=O)OC7OC(CO)C(OC8OCC(OC9OC(CO)C(O)C(O)C9O)C(OC%10OCC(O)C(O)C%10O)C8O)C(O)C7O)C2(C)C)C(O)C(O)C1OC%11OCC(O)C(O)C%11O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P11 mock treatment 0.996 -0.00311 -0.09 0.988 -0.0111 -0.33 -0.2963 -0.8687 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P12 mock treatment 0.992 -0.00711 -0.21 0.993 -0.00613 -0.18 -0.2736 -0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P13 compound treatment 1.029 0.0299 0.87 1.03 0.0309 0.91 1.2576 0.9996 3615961 ACon1_001909 COc1ccc(cc1O)C(C)C(=O)c2ccc(O)cc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P14 compound treatment 1.001 0.00189 0.05 1.006 0.00687 0.2 0.1824 0.8667 3615963 ACon1_001910 OCC(=C)C(=O)O[C@H]1C[C@]23O[C@@H]3CC/C(=C/[C@H]4OC(=O)C(=C)[C@@H]41)/CO[C@@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P15 compound treatment 1.015 0.0159 0.46 1.007 0.00787 0.23 0.4901 0.9502 3559257 ACon1_001911 OC1(OCC2C(OCC21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P16 compound treatment 1.031 0.0319 0.92 1.0 8.75E-4 0.03 0.6714 0.7266 3615970 ACon1_001912 CC1(C)C(CCC2(C)C3CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C=C)C=C3CCC12)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P17 compound treatment 1.03 0.0309 0.89 1.028 0.0289 0.85 1.2363 0.9997 2116652 ACon1_001913 Oc1ccc(CCNC(=O)/C=C/c2ccc(O)cc2)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P18 compound treatment 1.002 0.00289 0.08 1.026 0.0269 0.79 0.6211 0.7773 3615976 ACon1_001914 CC1OC(CC(O)C1O)c2cc3oc(cc(=O)c3c(O)c2O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P19 compound treatment 1.004 0.00489 0.14 1.01 0.0109 0.32 0.3275 0.9322 3615980 ACon1_001915 CCC(C)C(OC1OC(C)C(O)C(O)C1O)C(C)C(=O)C(C)/C=C(\C)/CC(C)C(O)C(C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P20 compound treatment 1.031 0.0319 0.92 1.015 0.0159 0.47 0.985 0.9507 3615986 ACon1_001916 C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C7[C@@H]8CC(C)(C)CC[C@@]8(C(O)C[C@]76C)C(=O)OC9OCC(O)C(O)C9O)C4(C)C)O[C@@H]3COC%10OCC(O)C(OC%11OCC(O)C(O)C%11O)C%10O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P21 compound treatment 1.005 0.00589 0.17 1.008 0.00887 0.26 0.3062 0.9783 3615991 ACon1_001917 C/C=C/c1ccc(O)cc1C(=O)C(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P22 compound treatment 1.005 0.00589 0.17 1.027 0.0279 0.82 0.7034 0.8358 3615996 ACon1_001918 CC1=C2CC(CCC2(C)CCC1=O)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P23 compound treatment 1.085 0.0859 2.49 1.077 0.0779 2.3 3.387 0.9993 3559104 ACon1_001919 COC(=O)[C@H](O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H](C3=C)[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2295 P24 compound treatment 1.032 0.0329 0.95 1.012 0.0129 0.38 0.9427 0.919 3558533 ACon1_001920 OC[C@H]1O[C@@H](OC2OC=C3[C@@H](C[C@H]4N(CCc5c4[nH]c6ccccc56)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A01 compound treatment 0.995 -0.00581 -0.17 1.009 6.41E-4 0.02 -0.1056 -0.6236 3616000 ACon1_001921 COC(=O)C12CC3CC(C(C)O)C2N(C3)CCc4c1[nH]c5cc(OC)ccc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A02 compound treatment 1.009 0.00819 0.24 1.017 0.00864 0.26 0.3483 0.9993 3616002 ACon1_001922 C/C(=C\CC(C)(C)\C=C\Cc1ccoc1)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A03 compound treatment 0.978 -0.0228 -0.66 0.983 -0.0254 -0.75 -0.9973 -0.998 3553562 ACon1_001923 CC(C)C1C(O)C2C(CCC(=O)C)C2(C)CC1OC(=O)/C=C/c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A04 compound treatment 0.999 -0.00181 -0.05 1.008 -3.59E-4 -0.01 -0.0446 -0.8333 3616008 ACon1_001924 C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(CO)CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A05 compound treatment 0.997 -0.00381 -0.11 1.004 -0.00436 -0.13 -0.1692 -0.997 3554100 ACon1_001925 CCC(=O)OC1C(C)CC2(OC(=O)C)C1C(OC(=O)C)C3(CO3)CCC4C(/C=C(\C)/C2=O)C4(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A06 compound treatment 0.997 -0.00381 -0.11 0.999 -0.00936 -0.28 -0.2737 -0.9188 3616012 ACon1_001926 COc1c(C2OCC(O)C(O)C2O)c(O)cc3oc(cc(=O)c13)c4ccc(OC5OC(C)C(O)C(O)C5O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A07 compound treatment 1.008 0.00719 0.21 1.014 0.00564 0.17 0.2651 0.994 3616015 ACon1_001927 CCC/C=C/C(=O)O[C@H]1CC(C)(C)CC2[C@]34CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O[C@@H]%10OC[C@](O)(CO)[C@H]%10O)[C@H]7O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)C(=O)O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)C[C@@H](OC(=O)C)[C@]21[C@H](O)O3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A08 compound treatment 0.974 -0.0268 -0.78 0.981 -0.0274 -0.81 -1.1211 -0.9998 3616020 ACon1_001928 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(oc3c2)c7ccc(O)cc7)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A09 compound treatment 0.996 -0.00481 -0.14 1.001 -0.00736 -0.22 -0.2524 -0.9768 3616025 ACon1_001929 CC1CC(=O)C2C34OC4(C(O)CC2(O)C1)C(O)c5c(O)cccc5C3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A10 compound treatment 0.993 -0.00781 -0.23 1.003 -0.00536 -0.16 -0.272 -0.9848 3558789 ACon1_001930 OCC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(CO)OC3Oc4c(oc5cc(O)cc(O)c5c4=O)c6ccc(O)c(O)c6)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A11 compound treatment 0.99 -0.0108 -0.31 1.0 -0.00836 -0.25 -0.3962 -0.9931 3616030 ACon1_001931 OCC1OC(C(O)C(O)C1OC2OCC(O)(CO)C2O)c3c(O)cc4OC(C(C(=O)c4c3O)c5c(oc6cc(O)cc(O)c6c5=O)c7ccc(O)cc7)c8ccc(O)cc8 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A12 compound treatment 0.976 -0.0248 -0.72 0.991 -0.0174 -0.51 -0.871 -0.9864 3616033 ACon1_001932 OCC1OC(C(O)C(O)C1O)c2c(O)cc3occc(=O)c3c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A13 mock treatment 0.985 -0.0158 -0.46 0.993 -0.0154 -0.45 -0.6449 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A14 mock treatment 0.963 -0.0378 -1.1 0.98 -0.0284 -0.84 -1.3672 -0.9913 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A15 compound treatment 0.985 -0.0158 -0.46 0.989 -0.0194 -0.57 -0.7286 -0.9939 3616036 ACon1_001933 OC[C@H]1O[C@@H](Oc2ccc3c(=O)cc(oc3c2)c4ccc(O)cc4)[C@H](O[C@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A16 compound treatment 0.991 -0.00981 -0.28 1.001 -0.00736 -0.22 -0.3548 -0.9913 3616041 ACon1_001934 CCN1C[C@]2(C)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)[C@@H](OC)C32)[C@H]16 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A17 compound treatment 1.005 0.00419 0.12 1.005 -0.00336 -0.1 0.0155 0.099 3616047 ACon1_001935 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A18 compound treatment 1.009 0.00819 0.24 1.017 0.00864 0.26 0.3483 0.9993 3552637 ACon1_001936 C[C@@H]1C[C@@H]2O[C@H]2/C=C\C=C\C(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A19 compound treatment 1.0 -8.13E-4 -0.02 1.001 -0.00736 -0.22 -0.1705 -0.779 3616054 ACon1_001937 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)C)c2)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A20 compound treatment 1.0 -8.13E-4 -0.02 1.011 0.00264 0.08 0.0386 0.473 3559850 ACon1_001938 OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A21 compound treatment 0.992 -0.00881 -0.26 0.995 -0.0134 -0.39 -0.4598 -0.9777 599 ACon1_001939 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A22 compound treatment 1.051 0.0502 1.45 1.058 0.0496 1.47 2.0656 1.0 3554279 ACon1_001940 CCCCCCC(C(=O)O)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A23 compound treatment 1.0 -8.13E-4 -0.02 1.011 0.00264 0.08 0.0386 0.473 3616064 ACon1_001941 COc1cc(oc(=O)c1C)/C(=C/C(C)(O)C(C)O)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 A24 compound treatment 1.0 -8.13E-4 -0.02 0.999 -0.00936 -0.28 -0.2123 -0.7645 1099693 ACon1_001942 CC(C)(O)C(O)COc1c2occc2cc3ccc(=O)oc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B01 compound treatment 0.976 -0.0248 -0.72 0.985 -0.0234 -0.69 -0.9965 -0.9998 3498385 ACon1_001943 COC(=O)C1C(O)C=Cc2oc3cc(CO)cc(O)c3c(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B02 compound treatment 1.011 0.0102 0.3 1.021 0.0126 0.37 0.4729 0.9931 3554822 ACon1_001944 COc1cc(=O)oc(C(C)C(C)O)c1CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B03 compound treatment 0.995 -0.00581 -0.17 1.005 -0.00336 -0.1 -0.1893 -0.9683 3616073 ACon1_001945 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)C2[C@]1(C)O)C(=O)OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B04 compound treatment 1.013 0.0122 0.35 1.019 0.0106 0.31 0.472 0.9984 3559763 ACon1_001946 OC[C@H]1O[C@H](S/C(=N/OS(=O)(=O)O)/Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B05 compound treatment 1.016 0.0152 0.44 1.016 0.00764 0.23 0.4708 0.9521 3616080 ACon1_001947 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)C)[C@H](OC(=O)/C=C/c6ccccc6)[C@H]1OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B06 compound treatment 0.987 -0.0138 -0.4 0.99 -0.0184 -0.54 -0.6667 -0.9887 3553933 ACon1_001948 CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@]12O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B07 compound treatment 1.042 0.0412 1.19 1.051 0.0426 1.26 1.7349 0.9996 3616087 ACon1_001949 COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c5ccccc5)C6(C)C(O)(CCC64O)C(=O)C)C2)OC(C)C1OC7CC(OC)C(OC8OC(C)C(O)C(OC)C8O)C(C)O7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B08 compound treatment 0.996 -0.00481 -0.14 0.992 -0.0164 -0.48 -0.4406 -0.8752 3553383 ACon1_001950 CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)[C@H](OC(=O)C)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B09 compound treatment 1.007 0.00619 0.18 1.01 0.00164 0.05 0.161 0.8673 3554520 ACon1_001951 CO[C@H]1C(O[C@@H]2C[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@]3(O)O[C@H]12)C(=O)OC)n4cnc5c(N)ncnc45 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B10 compound treatment 1.025 0.0242 0.7 1.031 0.0226 0.67 0.9687 0.9997 1011613 ACon1_001952 Oc1cc(=O)oc2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B11 compound treatment 1.024 0.0232 0.67 1.027 0.0186 0.55 0.8646 0.9952 2095401 ACon1_001953 CC(=CCCC1(C)Oc2c(C)cc3c4ccc(O)cc4[nH]c3c2C=C1)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B12 compound treatment 1.036 0.0352 1.02 1.036 0.0276 0.82 1.2984 0.994 3558299 ACon1_001954 OCCCc1ccc(O)c(O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B13 mock treatment 0.974 -0.0268 -0.78 0.976 -0.0324 -0.96 -1.2256 -0.9946 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B14 mock treatment 0.984 -0.0168 -0.49 0.996 -0.0124 -0.37 -0.6027 -0.99 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B15 compound treatment 0.983 -0.0178 -0.52 0.997 -0.0114 -0.34 -0.6023 -0.9784 1000142 ACon1_001955 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]3(C)C2C(=O)C=C4[C@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B16 compound treatment 1.013 0.0122 0.35 1.022 0.0136 0.4 0.5348 0.9978 3011353 ACon1_001956 Oc1ccccc1C(=O)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B17 compound treatment 1.006 0.00519 0.15 1.012 0.00364 0.11 0.1823 0.9866 909 ACon1_001957 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B18 compound treatment 1.001 1.87E-4 0.01 0.997 -0.0114 -0.34 -0.2336 -0.6956 1020611 ACon1_001958 Oc1cccc2oc(cc(=O)c12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B19 compound treatment 1.006 0.00519 0.15 1.028 0.0196 0.58 0.5168 0.8617 3557567 ACon1_001959 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](CO)C=C[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B20 compound treatment 1.029 0.0282 0.82 1.032 0.0236 0.7 1.0715 0.997 3559544 ACon1_001960 C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B21 compound treatment 0.994 -0.00681 -0.2 0.997 -0.0114 -0.34 -0.377 -0.9678 3557523 ACon1_001961 C/C/1=C\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B22 compound treatment 1.0 -8.13E-4 -0.02 1.014 0.00564 0.17 0.1013 0.6014 3177322 ACon1_001962 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B23 compound treatment 1.009 0.00819 0.24 1.021 0.0126 0.37 0.4319 0.9759 3054971 ACon1_001963 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 B24 compound treatment 1.011 0.0102 0.3 1.014 0.00564 0.17 0.3265 0.9635 3557449 ACon1_001964 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C01 compound treatment 1.007 0.00619 0.18 1.016 0.00764 0.23 0.2864 0.9934 3616105 ACon1_001965 COc1ccc2OC3CCN(C3C(=O)NC(Cc4ccccc4)C(=O)N/C=C\c1c2)C(=O)C(NC(=O)C(C)N(C)C)C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C02 compound treatment 1.012 0.0112 0.32 1.013 0.00464 0.14 0.3261 0.9269 1034726 ACon1_001966 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C03 compound treatment 1.015 0.0142 0.41 1.011 0.00264 0.08 0.3457 0.8267 3557683 ACon1_001967 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C04 compound treatment 1.015 0.0142 0.41 1.023 0.0146 0.43 0.5966 0.9997 3616115 ACon1_001968 COc1cc(ccc1O)c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c(O)c3c(=O)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C05 compound treatment 1.017 0.0162 0.47 1.021 0.0126 0.37 0.5958 0.9937 3555406 ACon1_001969 CON1c2ccccc2[C@@]3(C=C(O)C(=O)N4/C(=C/c5cnc[nH]5)/C(=O)N[C@]143)C(C)(C)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C06 compound treatment 0.847 -0.154 -4.45 0.86 -0.148 -4.39 -6.2515 -1.0 3616121 ACon1_001970 CCCCCC(CC(O)CC(=O)OC(CCCCC)CC(CC(=O)O)OC1OC(CO)C(O)C(O)C1O)OC2OC(CO)C(O)C(O)C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C07 compound treatment 1.012 0.0112 0.32 1.019 0.0106 0.31 0.4516 0.9999 3616123 ACon1_001971 C/C=C(/C)\C(=O)O[C@H]1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]3([C@H](O)O[C@@]45CCC6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O[C@@H]%11OC[C@](O)(CO)[C@H]%11O)[C@H]8O[C@@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)C(=O)O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)C[C@H]3O)C4CC1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C08 compound treatment 1.003 0.00219 0.06 1.005 -0.00336 -0.1 -0.0254 -0.2159 3616129 ACon1_001972 CCCC(O)/C(=C/C1=C(C(=O)CC(CC(=O)O)OC(=O)N)C(=O)c2cccc(O)c2C1=O)/CC(C(=O)O)[N+](C)(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C09 compound treatment 1.023 0.0222 0.64 1.023 0.0146 0.43 0.7604 0.9815 3616135 ACon1_001973 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(C(=O)CCc4ccc(O)cc4)c(O)c3)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C10 compound treatment 1.03 0.0292 0.85 1.037 0.0286 0.85 1.1965 1.0 1076495 ACon1_001974 CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C11 mock treatment 0.991 -0.00981 -0.28 0.999 -0.00936 -0.28 -0.3966 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C12 mock treatment 1.014 0.0132 0.38 1.01 0.00164 0.05 0.3044 0.7906 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C13 compound treatment 1.011 0.0102 0.3 1.012 0.00364 0.11 0.2847 0.9066 3616143 ACon1_001975 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(CO)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C14 compound treatment 0.991 -0.00981 -0.28 0.997 -0.0114 -0.34 -0.4384 -0.9965 3616150 ACon1_001976 CCCCCCC(=O)OC1OC(CO)C(O)C2OCC(COC12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C15 mock treatment 1.013 0.0122 0.35 1.013 0.00464 0.14 0.3466 0.9153 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C16 mock treatment 0.984 -0.0168 -0.49 0.997 -0.0114 -0.34 -0.5818 -0.9836 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C17 compound treatment 1.016 0.0152 0.44 1.018 0.00964 0.29 0.5126 0.9779 3616151 ACon1_001977 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)[C@@H](OC(=O)C)[C@@H](O)[C@@]12COC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C18 compound treatment 1.053 0.0522 1.51 1.056 0.0476 1.41 2.0647 0.9994 3557642 ACon1_001978 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC[C@@]78OC[C@]9(C8CC(C)(C)C[C@@H]9OC(=O)C)[C@H](O)C[C@]76C)C4(C)C)[C@@H]3O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C19 compound treatment 1.024 0.0232 0.67 1.027 0.0186 0.55 0.8646 0.9952 1147 ACon1_001979 COc1c2ccoc2cc3oc(=O)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C20 compound treatment 1.023 0.0222 0.64 1.026 0.0176 0.52 0.8232 0.9946 3558157 ACon1_001980 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C21 compound treatment 1.013 0.0122 0.35 1.014 0.00564 0.17 0.3675 0.9414 3616160 ACon1_001981 CC1OC(OC2C(O)C(O)C(C)OC2OC3C(O)C(O)C(CO)OC3OC4C(O)C(OC(OC5CCC6(C)C(CCC7(C)C6CCC89OCC%10(CCC(C)(C)CC%109)C(O)CC87C)C5(C)C)C4OC%11OC(CO)C(O)C(O)C%11O)C(=O)O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C22 compound treatment 1.017 0.0162 0.47 1.018 0.00964 0.29 0.533 0.9715 3558367 ACon1_001982 C[C@@H]1C[C@H]2OC[C@@]3(C)CCC[C@](C)(C23)[C@@]1(O)CCc4ccoc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C23 compound treatment 1.063 0.0622 1.8 1.064 0.0556 1.65 2.4367 0.999 3616165 ACon1_001983 COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC3C4O[C@]4(CO)[C@@H]5[C@H]3C=COC5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 C24 compound treatment 1.082 0.0812 2.35 1.085 0.0766 2.27 3.2649 0.9998 3557295 ACon1_001984 C/C=C/C1=CC(=O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D01 compound treatment 1.019 0.0182 0.53 1.001 -0.00736 -0.22 0.2186 0.3836 3616143 ACon1_001985 C/C(=C/CCC(CO)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(OC6OC(CO)C(O)C(O)C6O)C4(C)C)/COC7OC(CO)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D02 compound treatment 1.009 0.00819 0.24 1.006 -0.00236 -0.07 0.1183 0.4788 3559089 ACon1_001986 OC1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)OC3COC(=O)c4cc(O)c(O)c(O)c4-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]1[C@@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D03 compound treatment 1.016 0.0152 0.44 1.021 0.0126 0.37 0.5753 0.9967 3616174 ACon1_001987 OCC1OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c3c(O)cc(O)c(C(=O)c4ccc(O)cc4)c3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D04 compound treatment 1.014 0.0132 0.38 1.011 0.00264 0.08 0.3253 0.8344 3559657 ACon1_001988 COc1cc(O)c(C(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D05 compound treatment 1.005 0.00419 0.12 1.014 0.00564 0.17 0.2037 0.9878 3616180 ACon1_001989 CC1C2C(CC3C4CC(O[C@@H]5O[C@H](C)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)C7CC(O)CCC7(C)C4CCC23C)OC81OCC(C)CC8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D06 compound treatment 1.015 0.0142 0.41 1.024 0.0156 0.46 0.6175 0.9983 3559746 ACon1_001990 COc1cc2N3[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@@]74c2cc1OC)CC6=CCO[C@H]5CC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D07 compound treatment 1.028 0.0272 0.79 1.034 0.0256 0.76 1.0928 0.9998 3553158 ACon1_001991 C[C@H]1OC(=O)[C@@]23C(=C)[C@]4(C)OC(=O)[C@@]31O[C@]5([C@@H]4O)C(=C)[C@@]6(CC[C@]25C)C=CC(=O)OC6(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D08 compound treatment 1.019 0.0182 0.53 1.025 0.0166 0.49 0.7203 0.9994 3559359 ACon1_001992 O[C@@H]1CO[C@@H](O[C@@H](CCc2ccc(O)c(O)c2)CC(=O)CCc3ccc(O)c(O)c3)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D09 compound treatment 0.997 -0.00381 -0.11 1.013 0.00464 0.14 0.0189 0.1076 3616190 ACon1_001993 C/C=C/[C@H]1[C@@H](C=C(C)[C@H]2CC[C@H](C)C[C@H]12)C(=O)c3c(O)c(c[nH]c3=O)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D10 compound treatment 1.026 0.0252 0.73 1.032 0.0236 0.7 1.01 0.9998 3554007 ACon1_001994 CC1CC2C=CC3COC(=O)C3(C)C2CC1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D11 mock treatment 1.012 0.0112 0.32 1.019 0.0106 0.31 0.4516 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D12 mock treatment 1.014 0.0132 0.38 1.024 0.0156 0.46 0.597 0.9955 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D13 compound treatment 1.118 0.117 3.39 1.124 0.116 3.42 4.8174 1.0 3559637 ACon1_001995 COC(=O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D14 compound treatment 1.017 0.0162 0.47 1.026 0.0176 0.52 0.7003 0.9986 3079231 ACon1_001996 CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@]654)c7ccoc7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D15 mock treatment 0.996 -0.00481 -0.14 1.007 -0.00136 -0.04 -0.127 -0.8753 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D16 mock treatment 1.01 0.00919 0.27 1.022 0.0136 0.4 0.4733 0.9796 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D17 compound treatment 1.035 0.0342 0.99 1.053 0.0446 1.32 1.6334 0.99 2838 ACon1_001997 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)CCC3=C)/CCC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D18 compound treatment 1.015 0.0142 0.41 1.021 0.0126 0.37 0.5548 0.9989 3559519 ACon1_001998 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(=O)O)[C@@]1(C)CCc3ccoc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D19 compound treatment 1.123 0.122 3.54 1.128 0.12 3.54 5.0035 1.0 1054601 ACon1_001999 Cc1cc2c3ccccc3[nH]c2c4C=CC(C)(C)Oc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D20 compound treatment 1.018 0.0172 0.5 1.02 0.0116 0.34 0.5953 0.9838 3559588 ACon1_002000 OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C/C(=C\CC1)/C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D21 compound treatment 1.035 0.0342 0.99 1.038 0.0296 0.88 1.3198 0.9981 3559469 ACon1_002001 CC1(C)CC2C1[C@@H](O)C/C(=C/CCC2=C)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D22 compound treatment 1.038 0.0372 1.08 1.048 0.0396 1.17 1.5903 0.9991 3557446 ACon1_002002 C[C@@]12C[C@H](O)C3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D23 compound treatment 1.049 0.0482 1.4 1.06 0.0516 1.53 2.0664 0.999 3559627 ACon1_002003 CCCCCCCCC#CCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 D24 compound treatment 1.032 0.0312 0.9 1.036 0.0276 0.82 1.2165 0.9988 3557443 ACon1_002004 C[C@@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E01 mock treatment 1.019 0.0182 0.53 1.028 0.0196 0.58 0.7831 0.9988 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E02 mock treatment 1.011 0.0102 0.3 1.025 0.0166 0.49 0.5565 0.9701 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E03 compound treatment 1.011 0.0102 0.3 1.009 6.41E-4 0.02 0.222 0.751 3557620 ACon1_002005 COC(=O)C(=C)[C@]1(O[C@]2(C)CC1=O)[C@H](C[C@@]3(C)OC(=O)/C(=C/C)/[C@]3(O)CC2)OC(=O)C(=C)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E04 compound treatment 1.02 0.0192 0.56 1.021 0.0126 0.37 0.6572 0.9814 3616208 ACon1_002006 OCC1OC(OC2OC=C(C(CC(=O)O)C2C=C)C(=O)O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E05 compound treatment 1.009 0.00819 0.24 1.015 0.00664 0.2 0.3065 0.9956 3616212 ACon1_002007 OC1C(O)C(COC(=O)/C=C/c2ccc(O)cc2)OC(OC(=O)/C=C/c3ccc(O)c(O)c3)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E06 compound treatment 0.901 -0.0998 -2.89 0.932 -0.0764 -2.26 -3.6404 -0.9925 3558000 ACon1_002008 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)/C=C/c7ccccc7)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E07 compound treatment 1.018 0.0172 0.5 1.012 0.00364 0.11 0.4281 0.8406 3555029 ACon1_002009 COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC5OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E08 compound treatment 1.017 0.0162 0.47 1.026 0.0176 0.52 0.7003 0.9986 3616218 ACon1_002010 CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(oc3c2)c5ccc(O)cc5)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E09 mock treatment 1.012 0.0112 0.32 1.018 0.00964 0.29 0.4307 0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E10 mock treatment 1.008 0.00719 0.21 1.015 0.00664 0.2 0.286 0.9996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E11 compound treatment 1.007 0.00619 0.18 1.006 -0.00236 -0.07 0.0774 0.4024 3616221 ACon1_002011 COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3OC=C[C@H]4[C@H](O)[C@@H]5O[C@]5(CO)[C@H]43)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E12 compound treatment 1.013 0.0122 0.35 1.026 0.0176 0.52 0.6184 0.9819 3616227 ACon1_002012 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E13 compound treatment 1.029 0.0282 0.82 1.034 0.0256 0.76 1.1133 0.9993 3616231 ACon1_002013 C/C(=C/CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C4(C)C)/CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E14 compound treatment 1.029 0.0282 0.82 1.021 0.0126 0.37 0.8415 0.9373 3614428 ACon1_002014 COC(=O)c1c(C)cc2CC3(Oc2c(C)c1=O)C(C)CCC(C(C)(C)O)C3(C)CCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E15 compound treatment 1.009 0.00819 0.24 1.013 0.00464 0.14 0.2647 0.9662 3616237 ACon1_002015 CC(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](CO)O[C@H]1Oc3cc(O)cc(O)c3C(=O)c4cccc(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E16 compound treatment 1.034 0.0332 0.96 1.038 0.0296 0.88 1.2993 0.9989 3616246 ACon1_002016 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)OC91CCC(C)CN9 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E17 mock treatment 0.999 -0.00181 -0.05 1.002 -0.00636 -0.19 -0.1701 -0.8712 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E18 mock treatment 1.001 1.87E-4 0.01 1.01 0.00164 0.05 0.0381 0.7814 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E19 compound treatment 1.054 0.0532 1.54 1.04 0.0316 0.94 1.7507 0.9714 3616250 ACon1_002017 COc1cc(cc(O)c1OC)c2cc(O)c(OC)c(OC)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E20 compound treatment 1.037 0.0362 1.05 1.034 0.0256 0.76 1.2771 0.9874 3554291 ACon1_002018 CCCCCCCC(=O)OC1C(OC(=O)/C(=C/C)/C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E21 compound treatment 1.012 0.0112 0.32 1.019 0.0106 0.31 0.4516 0.9999 3616255 ACon1_002019 CC[C@H]1C(=O)CC2C3CCC4C[C@@H](O)[C@]5(O)C[C@]4(CO5)C3CC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E22 compound treatment 1.055 0.0542 1.57 1.053 0.0446 1.32 2.0429 0.9963 3558178 ACon1_002020 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E23 compound treatment 1.012 0.0112 0.32 1.012 0.00364 0.11 0.3052 0.894 3558962 ACon1_002021 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 E24 compound treatment 1.023 0.0222 0.64 1.03 0.0216 0.64 0.9068 1.0 3616265 ACon1_002022 CC(C)c1cc(O)c(C)c(c1O)c2c(C)c(O)cc(C(C)C)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F01 mock treatment 1.018 0.0172 0.5 1.023 0.0146 0.43 0.6581 0.9976 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F02 mock treatment 1.01 0.00919 0.27 1.014 0.00564 0.17 0.3061 0.9747 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F03 compound treatment 1.013 0.0122 0.35 1.023 0.0146 0.43 0.5557 0.9949 3616267 ACon1_002023 C[C@H]1O[C@@H](OC2CC3C(=CC2(C)C=C)CCC4C(C)(C)C(CCC34C)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F04 compound treatment 1.009 0.00819 0.24 1.017 0.00864 0.26 0.3483 0.9993 3559767 ACon1_002024 COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2OC)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F05 compound treatment 1.009 0.00819 0.24 1.026 0.0176 0.52 0.5365 0.9364 3616273 ACon1_002025 C[C@H]1O[C@@H](OC(C)(CC/C=C(\C)/C(=O)O)C=C)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F06 compound treatment 1.002 0.00119 0.03 1.007 -0.00136 -0.04 -0.0041 -0.0775 1020610 ACon1_002026 Oc1ccc2oc(cc(=O)c2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F07 compound treatment 1.061 0.0602 1.74 1.06 0.0516 1.53 2.3122 0.9978 3616280 ACon1_002027 CC(=CCCC(C)(O)C1Cc2cc(cc(CC=C(C)C)c2O1)C(=O)O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F08 compound treatment 1.011 0.0102 0.3 1.017 0.00864 0.26 0.3893 0.9974 3616283 ACon1_002028 CCCCOC(=O)C(N)CCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F09 mock treatment 1.018 0.0172 0.5 1.033 0.0246 0.73 0.8671 0.9828 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F10 mock treatment 1.004 0.00319 0.09 1.02 0.0116 0.34 0.3086 0.8662 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F11 compound treatment 1.009 0.00819 0.24 1.019 0.0106 0.31 0.3901 0.9903 3559302 ACon1_002029 CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C7CC(=C(C)C(=O)O7)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F12 compound treatment 1.053 0.0522 1.51 1.058 0.0496 1.47 2.1065 0.9999 3553842 ACon1_002030 CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F13 compound treatment 1.022 0.0212 0.61 1.028 0.0196 0.58 0.8445 0.9996 3559459 ACon1_002031 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F14 compound treatment 1.017 0.0162 0.47 1.031 0.0226 0.67 0.8048 0.9848 3558542 ACon1_002032 COc1cc(/C=C/CO)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F15 compound treatment 1.023 0.0222 0.64 1.032 0.0236 0.7 0.9486 0.9991 3553373 ACon1_002033 CC(=O)OC[C@@]12CCC(=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]1(C)[C@@]43CO4)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F16 compound treatment 1.04 0.0392 1.13 1.041 0.0326 0.97 1.4849 0.9967 3559439 ACon1_002034 C/C=C(/C)\C(=O)OC1Cc2c(OC1(C)C)ccc3ccc(=O)oc23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F17 mock treatment 1.03 0.0292 0.85 1.04 0.0316 0.94 1.2592 0.9987 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F18 mock treatment 1.013 0.0122 0.35 1.012 0.00364 0.11 0.3257 0.8826 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F19 compound treatment 1.11 0.109 3.16 1.125 0.117 3.45 4.6745 0.9991 3559364 ACon1_002035 COc1cc2[nH]c3ccccc3c2cc1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F20 compound treatment 1.029 0.0282 0.82 1.039 0.0306 0.91 1.2178 0.9986 1308020 ACon1_002036 COc1ccc(cc1)c2cc(=O)c3ccccc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F21 compound treatment 1.02 0.0192 0.56 1.033 0.0246 0.73 0.9081 0.9911 1112402 ACon1_002037 COc1ccc2ccc(=O)oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F22 compound treatment 1.018 0.0172 0.5 1.031 0.0226 0.67 0.8253 0.9894 3557454 ACon1_002038 C[C@@]12CCC3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)C2CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F23 compound treatment 1.025 0.0242 0.7 1.033 0.0246 0.73 1.0105 0.9998 3559628 ACon1_002039 CCCCCCCCC#CCCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 F24 compound treatment 1.031 0.0302 0.87 1.037 0.0286 0.85 1.217 0.9999 3557444 ACon1_002040 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G01 compound treatment 1.021 0.0202 0.58 1.022 0.0136 0.4 0.6986 0.9836 3616293 ACon1_002041 CCC1CN2CCC3(C2CC1/C(=C/OC)/C(=O)OC)C(=O)Nc4cccc(O)c43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G02 compound treatment 0.996 -0.00481 -0.14 1.006 -0.00236 -0.07 -0.1479 -0.9488 3558908 ACon1_002042 CC1(C)CCC[C@@]2(C)C1CC(=O)c3cc(O)c(O)cc32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G03 mock treatment 1.002 0.00119 0.03 1.004 -0.00436 -0.13 -0.0668 -0.5009 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G04 mock treatment 1.016 0.0152 0.44 1.02 0.0116 0.34 0.5544 0.9926 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G05 compound treatment 1.012 0.0112 0.32 1.01 0.00164 0.05 0.2634 0.804 3557720 ACon1_002043 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)c(oc2c1)c6ccc(O)c(O)c6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G06 compound treatment 1.006 0.00519 0.15 1.018 0.00964 0.29 0.3078 0.9552 3616299 ACon1_002044 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G07 compound treatment 1.006 0.00519 0.15 1.007 -0.00136 -0.04 0.0778 0.5003 3616301 ACon1_002045 O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc3ccc(C(=O)/C=C/c4ccccc4)c(O)c3)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G08 compound treatment 1.02 0.0192 0.56 1.028 0.0196 0.58 0.8035 0.9998 3616305 ACon1_002046 CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G09 compound treatment 0.992 -0.00881 -0.26 1.001 -0.00736 -0.22 -0.3343 -0.9968 3553481 ACon1_002047 CC(C)(O)CCCC(C)(O)c1ccc(cc1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G10 compound treatment 0.985 -0.0158 -0.46 0.997 -0.0114 -0.34 -0.5613 -0.9884 3616309 ACon1_002048 CC1OC(OC2C(O)C(O)C(OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)CC[C@H](OC8OC(C)C(OC9OCC(O)(COC%10OCC(O)C(OC%11OCC(OC%12OCC(O)(CO)C%12O)C(O)C%11O)C%10O)C9O)C(O)C8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3)OC2CO)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G11 compound treatment 0.998 -0.00281 -0.08 1.003 -0.00536 -0.16 -0.1696 -0.9522 3558718 ACon1_002049 COc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G12 compound treatment 1.021 0.0202 0.58 1.02 0.0116 0.34 0.6568 0.9681 3616313 ACon1_002050 CC1OC(OC2C(O)C(O)C(COC3OCC(O)C(O)C3O)OC2OC(=O)C45CCC(C)(C)CC5C6=CCC7C8(C)CCC(OC9OC(CO)C(OC%10OC(C(OC%11OCC(O)C(O)C%11O)C(O)C%10O)C(=O)O)C(O)C9O)C(C)(CO)C8CCC7(C)C6(C)CC4)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G13 compound treatment 1.031 0.0302 0.87 1.029 0.0206 0.61 1.0497 0.9846 3616315 ACon1_002051 C[C@@H]1C[C@@H](OC(=O)C)C2[C@]3(C)CCC[C@]2(COC3=O)[C@@]1(O)CCc4ccoc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G14 compound treatment 1.01 0.00919 0.27 1.009 6.41E-4 0.02 0.2015 0.7555 3616319 ACon1_002052 C/C=C\C(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G15 compound treatment 1.009 0.00819 0.24 1.007 -0.00136 -0.04 0.1392 0.579 3616320 ACon1_002053 C[C@@H]([C@H]1CC[C@](C)(O1)C=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G16 compound treatment 1.035 0.0342 0.99 1.033 0.0246 0.73 1.2153 0.9886 3616324 ACon1_002054 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)OC81CCC(C)CN8 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G17 compound treatment 1.018 0.0172 0.5 1.016 0.00764 0.23 0.5117 0.9361 3616327 ACon1_002055 COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(c2)c3cc(CC(CO)C(CO)Cc4ccc(O)c(OC)c4)cc(OC)c3O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G18 compound treatment 1.0 -8.13E-4 -0.02 1.002 -0.00636 -0.19 -0.1496 -0.7894 3553093 ACon1_002056 C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]25[C@@H](/C=C/C[C@H](C)\C=C(/C)\[C@@H](O)C(=O)\C=C\C5=O)[C@@H]6O[C@@]61C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G19 mock treatment 1.039 0.0382 1.11 1.027 0.0186 0.55 1.1717 0.9483 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G20 mock treatment 1.012 0.0112 0.32 1.008 -3.59E-4 -0.01 0.2216 0.6836 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G21 compound treatment 1.011 0.0102 0.3 1.015 0.00664 0.2 0.3475 0.9804 3616329 ACon1_002057 CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G22 compound treatment 1.013 0.0122 0.35 1.001 -0.00736 -0.22 0.0957 0.2309 3616332 ACon1_002058 OC1COC(OCC2OC(O[C@H](C#N)c3ccccc3)C(O)C(O)C2O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G23 compound treatment 0.67 -0.331 -9.58 0.727 -0.281 -8.32 -12.6567 -0.9975 3616337 ACon1_002059 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/C1CC(=O)OCC(O)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 G24 compound treatment 0.852 -0.149 -4.31 0.843 -0.165 -4.89 -6.5045 -0.998 3616341 ACon1_002060 COc1c(O)c(C(=O)/C=C\c2ccccc2)c(OC)c(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H01 compound treatment 0.995 -0.00581 -0.17 0.997 -0.0114 -0.34 -0.3565 -0.949 3616345 ACon1_002061 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(O)OC4=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H02 compound treatment 1.006 0.00519 0.15 1.001 -0.00736 -0.22 -0.0476 -0.1801 3559239 ACon1_002062 O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H]1OC(=O)c4cc(O)c(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H03 mock treatment 1.015 0.0142 0.41 1.026 0.0176 0.52 0.6593 0.993 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H04 mock treatment 1.0 -8.13E-4 -0.02 1.008 -3.59E-4 -0.01 -0.0242 -0.9355 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H05 compound treatment 1.018 0.0172 0.5 1.035 0.0266 0.79 0.9089 0.9755 3616347 ACon1_002063 CC(CC/C=C(\C)/C(=O)O)C1CC(O)C2(C)C3CCC4C5(CC35CC(O)C12C)CCC(OC6OCC(O)C(O)C6O)C4(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H06 compound treatment 1.021 0.0202 0.58 1.031 0.0226 0.67 0.8867 0.9977 450 ACon1_002064 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H07 compound treatment 1.011 0.0102 0.3 1.021 0.0126 0.37 0.4729 0.9931 3616351 ACon1_002065 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OC(=O)[C@@]34CCC(C)(C)CC4C5=CCC6[C@@]7(C)CC[C@H](OC8OC(CO)C(OC9OCC(O)C(O)C9O)C(O)C8O)C(C)(C)C7CC[C@@]6(C)[C@]5(C)CC3O)O[C@H]2CO)[C@H](O)[C@H](O)[C@H]1O[C@H]%10OC[C@](O)(CO)[C@H]%10O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H08 compound treatment 1.006 0.00519 0.15 1.02 0.0116 0.34 0.3496 0.9309 3551814 ACon1_002066 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccc(O)cc3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H09 compound treatment 0.999 -0.00181 -0.05 1.011 0.00264 0.08 0.0181 0.1923 3553447 ACon1_002067 CC(C)(C1CC[C@@]2(C)O[C@](C)(CCC2[C@@]1(C)CC(=O)O)C=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H10 compound treatment 1.018 0.0172 0.5 1.017 0.00864 0.26 0.5326 0.952 3557584 ACon1_002068 C/C(=C\CO)/CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H11 compound treatment 1.01 0.00919 0.27 1.029 0.0206 0.61 0.6197 0.9308 2321 ACon1_002069 COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H12 compound treatment 1.012 0.0112 0.32 1.034 0.0256 0.76 0.7652 0.9281 3553497 ACon1_002070 CC(C)[C@]1(O)CC[C@]2(C)CC=C(C)C[C@H](O)[C@@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H13 compound treatment 1.016 0.0152 0.44 1.029 0.0206 0.61 0.7425 0.9871 3187885 ACon1_002071 CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H14 compound treatment 1.007 0.00619 0.18 1.028 0.0196 0.58 0.5373 0.8842 3559539 ACon1_002072 C[C@H]1CCC2OC32CC4(O)OC(=O)C(=C4[C@@H](OC(=O)C(=C)C)[C@]13C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H15 compound treatment 1.009 0.00819 0.24 1.021 0.0126 0.37 0.4319 0.9759 3616359 ACon1_002073 CC(CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@H]2N=C1/C(=C/3\N=C(/C=C/4\N=C(/C(=C\5/[C@@H](CCC(=O)N)[C@](C)(CC(=O)N)[C@@]2(C)N5[Co+]C#N)/C)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\C(C)(C)[C@@H]3CCC(=O)N)/C)OP(=O)(O)O[C@@H]6[C@H](O)[C@@H](O[C@H]6CO)n7cnc8cc(C)c(C)cc78 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H16 compound treatment 1.003 0.00219 0.06 1.014 0.00564 0.17 0.1627 0.9121 3559651 ACon1_002074 COc1ccc2C(=O)/C(=C(\O)/c3ccccc3)/Oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H17 compound treatment 1.103 0.102 2.96 1.11 0.102 3.01 4.2176 1.0 3557456 ACon1_002075 C[C@H](CCC(=O)O)[C@H]1CCC2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C=C[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H18 compound treatment 1.047 0.0462 1.34 1.061 0.0526 1.56 2.0464 0.9972 3559549 ACon1_002076 C/C=C(/CO)\C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H19 mock treatment 1.021 0.0202 0.58 1.038 0.0296 0.88 1.0331 0.9806 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H20 mock treatment 1.022 0.0212 0.61 1.03 0.0216 0.64 0.8863 0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H21 compound treatment 1.002 0.00119 0.03 1.006 -0.00236 -0.07 -0.025 -0.3215 3559433 ACon1_002077 CC#CCc1cc2ccccc2c(=O)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H22 compound treatment 1.026 0.0252 0.73 1.041 0.0326 0.97 1.1982 0.9905 3557447 ACon1_002078 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H23 compound treatment 1.045 0.0442 1.28 1.056 0.0476 1.41 1.9009 0.9989 3063892 ACon1_002079 COc1cc2ccc(=O)oc2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 H24 compound treatment 1.014 0.0132 0.38 1.029 0.0206 0.61 0.7016 0.9745 3559653 ACon1_002080 O/C(=C\C(=O)/C=C/c1ccc(O)cc1)/C=C/c2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I01 compound treatment 1.024 0.0232 0.67 1.032 0.0236 0.7 0.9691 0.9998 3616365 ACon1_002081 C[C@]1(CN2C3C4C(O)[C@H]5C(O)C6[C@]73CC(=O)C1)C7[C@@H]2C[C@@]46CC5=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I02 compound treatment 1.018 0.0172 0.5 1.029 0.0206 0.61 0.7835 0.9949 3616368 ACon1_002082 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(CO)(CO)C5CC[C@]43C)[C@@H]2C1)C(=O)OC7OC(CO)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I03 compound treatment 0.989 -0.0118 -0.34 1.001 -0.00736 -0.22 -0.3958 -0.9761 3558097 ACon1_002083 COc1cc(C[C@@H]2[C@@H](Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)COC2=O)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I04 compound treatment 0.984 -0.0168 -0.49 0.999 -0.00936 -0.28 -0.54 -0.9641 3559868 ACon1_002084 OC1C2NCCc3cc4OCOc4c(-c5ccccc15)c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I05 mock treatment 0.984 -0.0168 -0.49 0.988 -0.0204 -0.6 -0.7699 -0.9945 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I06 mock treatment 0.984 -0.0168 -0.49 0.999 -0.00936 -0.28 -0.54 -0.9641 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I07 compound treatment 0.996 -0.00481 -0.14 1.002 -0.00636 -0.19 -0.2315 -0.9891 3616375 ACon1_002085 CC(=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)C1CC(O)C3[C@@]2(C)CCC4C(C)(C)[C@@H](O)C[C@@H](O)[C@@]43C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I08 compound treatment 1.005 0.00419 0.12 1.015 0.00664 0.2 0.2246 0.9732 3616379 ACon1_002086 CCC(C)C(O)C(C)(O)/C=C/C1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I09 compound treatment 0.99 -0.0108 -0.31 1.008 -3.59E-4 -0.01 -0.2289 -0.7307 3558841 ACon1_002087 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I10 compound treatment 1.033 0.0322 0.93 1.04 0.0316 0.94 1.3206 1.0 3616383 ACon1_002088 CCCCCC(=O)Cc1cc(O)c(O)c2Oc3c(CCCCC)c(C(=O)O)c(O)cc3OC(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I11 compound treatment 0.992 -0.00881 -0.26 0.999 -0.00936 -0.28 -0.3761 -0.9992 3616384 ACon1_002089 OCC12OC2C(O)C3C=COC(OC4OC(COC(=O)/C=C/c5ccccc5)C(O)C(O)C4O)C31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I12 compound treatment 1.005 0.00419 0.12 1.017 0.00864 0.26 0.2664 0.942 3616386 ACon1_002090 CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I13 compound treatment 0.989 -0.0118 -0.34 0.995 -0.0134 -0.39 -0.5212 -0.9974 3616388 ACon1_002091 CC(=C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2[C@H]3O[C@H]3C(=C)[C@@H](O)[C@H]4OC(=O)C(=C)[C@@H]41 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I14 compound treatment 0.989 -0.0118 -0.34 0.98 -0.0284 -0.84 -0.8348 -0.9218 3558106 ACon1_002092 OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(coc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I15 compound treatment 1.009 0.00819 0.24 1.017 0.00864 0.26 0.3483 0.9993 3616390 ACon1_002093 CC(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](CO)O[C@H]1Oc3cc(O)cc(O)c3C(=O)c4cc(O)cc(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I16 compound treatment 0.988 -0.0128 -0.37 0.995 -0.0134 -0.39 -0.5417 -0.9995 959 ACon1_002094 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I17 compound treatment 0.992 -0.00881 -0.26 0.997 -0.0114 -0.34 -0.4179 -0.9908 3557761 ACon1_002095 OCC1OC(OCC2OC(NCCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I18 compound treatment 1.044 0.0432 1.25 1.048 0.0396 1.17 1.7132 0.9995 3553773 ACon1_002096 CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)C(O)[C@](NC2=O)(OC)C(=O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I19 compound treatment 1.006 0.00519 0.15 1.008 -3.59E-4 -0.01 0.0987 0.6555 3616392 ACon1_002097 Cc1cc(O)c(O)c(c1)C(=O)C(=O)c2c(O)cc(O)cc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I20 compound treatment 1.003 0.00219 0.06 1.015 0.00664 0.2 0.1836 0.8901 3552073 ACon1_002098 C/C=C/C=C/C(=O)C1=C(O)C(=C(O)C(C)(O)C1=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I21 mock treatment 1.0 -8.13E-4 -0.02 0.997 -0.0114 -0.34 -0.2541 -0.7548 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I22 mock treatment 0.992 -0.00881 -0.26 0.997 -0.0114 -0.34 -0.4179 -0.9908 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I23 compound treatment 0.836 -0.165 -4.77 0.855 -0.153 -4.53 -6.5813 -0.9997 3616393 ACon1_002099 C/C=C\1/C(CC(=O)OCCc2ccc(O)c(O)c2)C(=COC1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 I24 compound treatment 1.004 0.00319 0.09 1.014 0.00564 0.17 0.1832 0.9611 3553755 ACon1_002100 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J01 compound treatment 1.046 0.0452 1.31 1.05 0.0416 1.23 1.7959 0.9995 3616395 ACon1_002101 Oc1ccc(cc1)[C@H]2[C@@H]([C@@H]3[C@H](c4ccc(O)cc4)c5c(O)cc(O)cc5OC3=O)C(=O)Oc6cc(O)cc(O)c26 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J02 compound treatment 1.0 -8.13E-4 -0.02 1.012 0.00364 0.11 0.0595 0.5398 3559240 ACon1_002102 O[C@H]1[C@H]2[C@H](CC(=O)O)C(=O)O[C@@H]3C(COC(=O)c4cc(O)c(O)c(O)c4)O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c6cc(O)c(O)c(OC1=O)c26)[C@@H]3OC(=O)c7cc(O)c(O)c(O)c7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J03 compound treatment 0.996 -0.00481 -0.14 1.004 -0.00436 -0.13 -0.1897 -0.9992 3616397 ACon1_002103 COc1cc(cc2cc(oc12)c3ccc4OCOc4c3)C(O)CCOC5OC(CO)C(O)C(O)C5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J04 compound treatment 0.995 -0.00581 -0.17 1.002 -0.00636 -0.19 -0.252 -0.9985 3559759 ACon1_002104 CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J05 mock treatment 0.993 -0.00781 -0.23 1.011 0.00264 0.08 -0.1048 -0.4378 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J06 mock treatment 0.99 -0.0108 -0.31 0.995 -0.0134 -0.39 -0.5007 -0.9934 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J07 compound treatment 1.008 0.00719 0.21 1.02 0.0116 0.34 0.3906 0.971 3616398 ACon1_002105 Cc1cc2c(CO)cc(O)cc2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J08 compound treatment 1.012 0.0112 0.32 1.021 0.0126 0.37 0.4934 0.9975 1066 ACon1_002106 OC1OCC=C2OC(=O)C=C12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J09 compound treatment 0.994 -0.00681 -0.2 0.999 -0.00936 -0.28 -0.3352 -0.9863 3555011 ACon1_002107 COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45O)OC(=O)C)C6=CC(=O)OC6)C2)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J10 compound treatment 1.002 0.00119 0.03 1.004 -0.00436 -0.13 -0.0668 -0.5009 3558451 ACon1_002108 CC1=C2CCC(C)(O)C=C2OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J11 compound treatment 0.997 -0.00381 -0.11 1.006 -0.00236 -0.07 -0.1274 -0.9755 3559926 ACon1_002109 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CCOC2=O)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J12 compound treatment 1.013 0.0122 0.35 1.018 0.00964 0.29 0.4511 0.9944 3559949 ACon1_002110 C/C=C(/C)\C(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J13 compound treatment 1.049 0.0482 1.4 1.047 0.0386 1.14 1.7946 0.9951 3553079 ACon1_002111 C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](OC(=O)/C(=C/CO)/COC(=O)/C(=C/CO)/C)C3[C@@H]2OC(=O)C3=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J14 compound treatment 0.989 -0.0118 -0.34 0.981 -0.0274 -0.81 -0.8139 -0.9267 3083213 ACon1_002112 C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc32)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J15 compound treatment 1.04 0.0392 1.13 1.052 0.0436 1.29 1.7149 0.998 3558672 ACon1_002113 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C/C=C/3\[C@H](O)COC3=O)C(=C)CC[C@H]12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J16 compound treatment 1.003 0.00219 0.06 1.01 0.00164 0.05 0.0791 0.9913 3559659 ACon1_002114 CC(=CCn1cnc(N)c2ncnc12)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J17 compound treatment 1.0 -8.13E-4 -0.02 1.015 0.00664 0.2 0.1222 0.6179 3141 ACon1_002115 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)/C=C/c6cc(OC)c(OC)c(OC)c6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J18 compound treatment 1.049 0.0482 1.4 1.054 0.0456 1.35 1.941 0.9999 2107849 ACon1_002116 C[C@@H]1CCC(=C)/C(=C\C=C/C[C@@]1(C)CCc2ccoc2)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J19 compound treatment 1.007 0.00619 0.18 1.033 0.0246 0.73 0.6419 0.8555 1054600 ACon1_002117 COc1cc(C=O)cc2c3ccccc3[nH]c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J20 compound treatment 1.051 0.0502 1.45 1.073 0.0646 1.91 2.3792 0.9909 1024517 ACon1_002118 COc1cc2CCNC(C)c2cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J21 mock treatment 1.0 -8.13E-4 -0.02 1.01 0.00164 0.05 0.0177 0.3276 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J22 mock treatment 1.001 1.87E-4 0.01 1.013 0.00464 0.14 0.1009 0.7345 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J23 compound treatment 1.017 0.0162 0.47 1.024 0.0156 0.46 0.6585 1.0 1528803 ACon1_002119 CC1(C)C2(C)CCC1(OC2=O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 J24 compound treatment 0.99 -0.0108 -0.31 0.994 -0.0144 -0.42 -0.5216 -0.9888 3559578 ACon1_002120 COC(=O)/C=C(/CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C)\COC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K01 compound treatment 1.016 0.0152 0.44 1.015 0.00664 0.2 0.4498 0.9339 3553784 ACon1_002121 CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45C(O)C3C1CC2[C@@H]5N(C)c6ccccc64 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K02 compound treatment 0.998 -0.00281 -0.08 1.002 -0.00636 -0.19 -0.1905 -0.9299 3557326 ACon1_002122 CC[C@H](C)[C@H]1NC(=O)[C@@H]2C[C@@]3([C@@H](Nc4ccccc43)N2C1=O)C(C)(C)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K03 compound treatment 1.004 0.00319 0.09 1.008 -3.59E-4 -0.01 0.0578 0.6216 3558174 ACon1_002123 CC(O)CCC1=CCC2C(CC1C)OC(=O)C2=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K04 compound treatment 1.002 0.00119 0.03 1.006 -0.00236 -0.07 -0.025 -0.3215 3559931 ACon1_002124 CC(=O)NCCCN(CCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)C)C(=O)/C=C/c2ccc(O)cc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K05 compound treatment 1.082 0.0812 2.35 1.076 0.0676 2.0 3.0767 0.9968 3552912 ACon1_002125 C[C@]12O[C@@H]2CC3C(C)(C)CCC[C@]3(C)[C@]41CC[C@](C)(CC(=O)O)O4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K06 compound treatment 0.952 -0.0488 -1.41 0.976 -0.0324 -0.96 -1.6761 -0.9819 3616399 ACon1_002126 COc1c(C2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c(O)cc3oc(cc(=O)c13)c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K07 mock treatment 1.025 0.0242 0.7 1.029 0.0206 0.61 0.9268 0.9976 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K08 mock treatment 1.015 0.0142 0.41 1.025 0.0166 0.49 0.6384 0.996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K09 compound treatment 1.017 0.0162 0.47 1.008 -3.59E-4 -0.01 0.324 0.6909 3616400 ACon1_002127 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K10 compound treatment 1.011 0.0102 0.3 1.01 0.00164 0.05 0.2429 0.8125 3616402 ACon1_002128 CC1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CC[C@]43C)C2C1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K11 compound treatment 1.012 0.0112 0.32 1.011 0.00264 0.08 0.2843 0.8531 3616404 ACon1_002129 CC(C)C1CCC(=C2CCC(=CC12)C(=O)O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K12 compound treatment 0.995 -0.00581 -0.17 1.005 -0.00336 -0.1 -0.1893 -0.9683 3616405 ACon1_002130 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CC[C@@H]4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K13 compound treatment 0.992 -0.00881 -0.26 0.991 -0.0174 -0.51 -0.5434 -0.948 3616407 ACon1_002131 C[C@@H]1[C@@H](C)c2ncccc2C(=O)OC[C@]3(C)O[C@@]45[C@H](OC(=O)C)[C@H]3[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@]5(COC(=O)C)[C@@H](OC(=O)c6ccccc6)[C@@H](O)[C@H](OC1=O)[C@]4(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K14 compound treatment 1.017 0.0162 0.47 1.016 0.00764 0.23 0.4912 0.944 3616409 ACon1_002132 CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@]6(O)[C@@H](OC)C32)[C@H]16 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K15 mock treatment 0.989 -0.0118 -0.34 0.987 -0.0214 -0.63 -0.6884 -0.9585 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K16 mock treatment 1.0 -8.13E-4 -0.02 0.998 -0.0104 -0.31 -0.2332 -0.7592 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K17 compound treatment 1.013 0.0122 0.35 1.009 6.41E-4 0.02 0.263 0.744 3616411 ACon1_002133 CC(CO)C(=O)O[C@H]1CC(C)(C=C)C([C@H]2OC(=O)C(=C)[C@@H]21)C(=C)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K18 compound treatment 1.006 0.00519 0.15 1.004 -0.00436 -0.13 0.0151 0.0762 3616413 ACon1_002134 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K19 compound treatment 1.02 0.0192 0.56 1.017 0.00864 0.26 0.5736 0.9378 3616414 ACon1_002135 CC(C)(O)/C=C/C1=CC(O)C(C)(O)CC1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K20 compound treatment 0.992 -0.00881 -0.26 0.995 -0.0134 -0.39 -0.4598 -0.9777 3557979 ACon1_002136 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C3C1CC(O)C3=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K21 compound treatment 1.065 0.0642 1.86 1.055 0.0466 1.38 2.2895 0.9892 1116462 ACon1_002137 Nc1c(O)cccc1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K22 compound treatment 1.036 0.0352 1.02 1.042 0.0336 0.99 1.4239 0.9999 3559068 ACon1_002138 COc1cc(cc(OC)c1OC)C2OC(C(C)C2C)c3cc(OC)c(OC)c(OC)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K23 mock treatment 0.998 -0.00281 -0.08 0.989 -0.0194 -0.57 -0.4623 -0.7997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 K24 mock treatment 1.0 -8.13E-4 -0.02 1.002 -0.00636 -0.19 -0.1496 -0.7894 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L01 compound treatment 0.962 -0.0388 -1.12 0.972 -0.0364 -1.08 -1.555 -0.9998 3615597 ACon1_002139 COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C43CO4)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L02 compound treatment 1.01 0.00919 0.27 1.009 6.41E-4 0.02 0.2015 0.7555 3557877 ACon1_002140 OC[C@H]1O[C@@H](OC(CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L03 compound treatment 0.997 -0.00381 -0.11 1.006 -0.00236 -0.07 -0.1274 -0.9755 3616416 ACon1_002141 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L04 compound treatment 1.01 0.00919 0.27 1.016 0.00764 0.23 0.3479 0.9967 1091317 ACon1_002142 CC(C)CC(=O)CC1(C)CCC(O1)c2ccoc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L05 compound treatment 1.012 0.0112 0.32 1.021 0.0126 0.37 0.4934 0.9975 3616418 ACon1_002143 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](OC(=O)C)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L06 compound treatment 1.0 -8.13E-4 -0.02 1.005 -0.00336 -0.1 -0.0869 -0.8511 3552811 ACon1_002144 C[C@@H]1OC(CC[C@@H]1O)O[C@@]23C(=O)C[C@](C)(O)C[C@@]3(O)C=CC4=C2C(=O)c5ccc([C@H]6C[C@@H](O[C@H]7CC[C@H](O[C@H]8C[C@@H](O)[C@H](O)[C@@H](C)O8)[C@H](C)O7)[C@H](O)[C@@H](C)O6)c(O)c5C4=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L07 mock treatment 1.01 0.00919 0.27 1.024 0.0156 0.46 0.5151 0.9655 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L08 mock treatment 1.013 0.0122 0.35 1.025 0.0166 0.49 0.5975 0.9867 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L09 compound treatment 0.991 -0.00981 -0.28 1.005 -0.00336 -0.1 -0.2712 -0.9008 3558762 ACon1_002145 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@](C)(O)[C@H](C[C@@]31O)OC(=O)/C=C/c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L10 compound treatment 1.008 0.00719 0.21 1.014 0.00564 0.17 0.2651 0.994 3558525 ACon1_002146 COC(=O)CCCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L11 compound treatment 0.997 -0.00381 -0.11 1.01 0.00164 0.05 -0.0438 -0.363 3558176 ACon1_002147 COc1cc(O)c2C(=O)[C@H](OC(=O)C)[C@H](Oc2c1)c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L12 compound treatment 1.017 0.0162 0.47 1.03 0.0216 0.64 0.7839 0.9883 3554563 ACon1_002148 COC(=O)[C@]12C(=O)C(C)C(=O)[C@]2(C)C(=C[C@@H]3[C@]1(C)CC[C@@H]4C(C)(C)[C@H](CC[C@]43CO)OC(=O)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L13 compound treatment 0.988 -0.0128 -0.37 1.006 -0.00236 -0.07 -0.3117 -0.8256 3559438 ACon1_002149 CC(C)CC(=O)OC1C(Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)CC(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L14 compound treatment 1.02 0.0192 0.56 1.022 0.0136 0.4 0.6781 0.9876 3559513 ACon1_002150 C[C@]1(C[C@]23CCC4[C@](C)(CO)CCC[C@@]4(C)C3CC1)C=C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L15 mock treatment 1.0 -8.13E-4 -0.02 1.017 0.00864 0.26 0.164 0.6393 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L16 mock treatment 1.001 1.87E-4 0.01 1.005 -0.00336 -0.1 -0.0664 -0.6675 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L17 compound treatment 1.149 0.148 4.29 1.147 0.139 4.1 5.9331 0.9997 3173755 ACon1_002151 C[C@@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L18 compound treatment 1.048 0.0472 1.37 1.046 0.0376 1.11 1.7533 0.9948 3553165 ACon1_002152 CC#CC#C/C=C\1/OC2(OC=CC2OC(=O)C=C(C)C)C=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L19 compound treatment 1.033 0.0322 0.93 1.042 0.0336 0.99 1.3625 0.9995 3616420 ACon1_002153 COc1cc(O)c(O)c(OC)c1C(=O)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L20 compound treatment 1.017 0.0162 0.47 1.023 0.0146 0.43 0.6376 0.9992 3557450 ACon1_002154 C[C@@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L21 compound treatment 0.995 -0.00581 -0.17 1.01 0.00164 0.05 -0.0847 -0.4837 1023016 ACon1_002155 COc1ccc2ccc(=O)oc2c1CC=C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L22 compound treatment 1.021 0.0202 0.58 1.018 0.00964 0.29 0.615 0.9455 3557458 ACon1_002156 C[C@@]12CCC3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L23 mock treatment 1.009 0.00819 0.24 1.027 0.0186 0.55 0.5574 0.929 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 L24 mock treatment 1.012 0.0112 0.32 1.004 -0.00436 -0.13 0.138 0.3957 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M01 compound treatment 1.001 1.87E-4 0.01 1.006 -0.00236 -0.07 -0.0455 -0.6501 3555864 ACon1_002157 OC(=O)CCCCCCCC(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M02 compound treatment 0.991 -0.00981 -0.28 1.001 -0.00736 -0.22 -0.3548 -0.9913 3616422 ACon1_002158 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M03 compound treatment 0.986 -0.0148 -0.43 0.995 -0.0134 -0.39 -0.5826 -0.9992 3557282 ACon1_002159 C[C@@H]1O[C@@H](Oc2ccc(cc2)c3coc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)ccc4c3=O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M04 compound treatment 0.985 -0.0158 -0.46 0.993 -0.0154 -0.45 -0.6449 -1.0 3553312 ACon1_002160 CC(=O)NC1CCCN(O)C(=O)/C=C(\C)/CCOC(=O)C(CCCN(O)C(=O)/C=C(\C)/CCOC(=O)C(CCCN(O)C(=O)/C=C(\C)/CCOC1=O)NC(=O)C)NC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M05 compound treatment 0.98 -0.0208 -0.6 0.986 -0.0224 -0.66 -0.8937 -0.9989 3553564 ACon1_002161 CC(C)c1cc2C(O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)C34)c2c(O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M06 compound treatment 0.739 -0.262 -7.58 0.746 -0.262 -7.76 -10.8465 -0.9999 3616424 ACon1_002162 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M07 compound treatment 0.988 -0.0128 -0.37 1.001 -0.00736 -0.22 -0.4162 -0.9677 3616426 ACon1_002163 CC1CC(=O)C2C(O)(C1)CC(O)C34OC4c5c(O)cccc5C(=O)C23O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M08 compound treatment 1.015 0.0142 0.41 1.027 0.0186 0.55 0.6802 0.9895 3616427 ACon1_002164 CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1C(O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M09 mock treatment 0.988 -0.0128 -0.37 0.998 -0.0104 -0.31 -0.479 -0.9955 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M10 mock treatment 0.962 -0.0388 -1.12 0.978 -0.0304 -0.9 -1.4295 -0.9938 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M11 compound treatment 0.994 -0.00681 -0.2 1.002 -0.00636 -0.19 -0.2725 -0.9997 3616429 ACon1_002165 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M12 compound treatment 0.973 -0.0278 -0.81 0.978 -0.0304 -0.9 -1.2043 -0.9985 3616431 ACon1_002166 COc1c(O)cc2oc(cc(=O)c2c1O)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M13 mock treatment 0.986 -0.0148 -0.43 0.984 -0.0244 -0.72 -0.8126 -0.9694 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M14 mock treatment 0.98 -0.0208 -0.6 0.985 -0.0234 -0.69 -0.9146 -0.9977 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M15 compound treatment 0.974 -0.0268 -0.78 0.977 -0.0314 -0.93 -1.2047 -0.9961 3616433 ACon1_002167 CC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)C(O)CC7(C(O)CC65C)C(=O)O)C3(C)C)OC2CO)C(O)C(OC8OCC(O)C(O)C8O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M16 compound treatment 0.965 -0.0358 -1.04 0.973 -0.0354 -1.05 -1.4726 -1.0 3616434 ACon1_002168 CC(C)[C@H](NC(=O)[C@H](C)N(C)C)C(=O)N1CC[C@@H]2Oc3ccc(/C=C\NC(=O)[C@H](Cc4ccccc4)NC(=O)C21)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M17 compound treatment 1.0 -8.13E-4 -0.02 0.999 -0.00936 -0.28 -0.2123 -0.7645 3616436 ACon1_002169 CC1(CO)CC(=O)CC2(C)C1CCC3=C2COC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M18 compound treatment 0.999 -0.00181 -0.05 0.996 -0.0124 -0.37 -0.2955 -0.8005 3554069 ACon1_002170 CC1CCC2C(C)(C)C(=O)CC[C@]2(C)C31Cc4c(O3)c5CN(C(CCC(=O)O)C(=O)O)C(=O)c5cc4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M19 compound treatment 0.986 -0.0148 -0.43 0.983 -0.0254 -0.75 -0.8335 -0.9649 3616437 ACon1_002171 CCCc1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M20 compound treatment 1.021 0.0202 0.58 1.02 0.0116 0.34 0.6568 0.9681 3555795 ACon1_002172 O=C1NC2CCc3nc4ccccc4c(=O)n3C2=Nc5ccccc15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M21 compound treatment 1.05 0.0492 1.42 1.042 0.0336 0.99 1.7106 0.9846 3616438 ACon1_002173 O[C@H]1[C@H](O)[C@@H](COC(=O)c2ccc(O)cc2)O[C@@H](Oc3ccc(O)cc3)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M22 compound treatment 1.026 0.0252 0.73 1.018 0.00964 0.29 0.7173 0.916 3554747 ACon1_002174 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(OC)c3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M23 compound treatment 0.741 -0.26 -7.52 0.726 -0.282 -8.35 -11.2237 -0.9987 3554983 ACon1_002175 COc1cc(O)c2C(=O)O[C@@]3(C)C[C@H](O)[C@@H](O)C=C3c2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 M24 compound treatment 1.024 0.0232 0.67 1.027 0.0186 0.55 0.8646 0.9952 3616440 ACon1_002176 Oc1ccc(CCCCC(=O)CCc2ccc(O)c(O)c2)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N01 compound treatment 0.992 -0.00881 -0.26 0.996 -0.0124 -0.37 -0.4389 -0.9846 3616441 ACon1_002177 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N02 compound treatment 0.992 -0.00881 -0.26 0.999 -0.00936 -0.28 -0.3761 -0.9992 3557494 ACon1_002178 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N03 compound treatment 0.984 -0.0168 -0.49 0.987 -0.0214 -0.63 -0.7908 -0.9917 3616443 ACon1_002179 C[C@@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@H](OC(=O)C(=C)CO)[C@@H]3[C@@H]2OC(=O)C3=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N04 compound treatment 1.022 0.0212 0.61 1.03 0.0216 0.64 0.8863 0.9998 3553392 ACon1_002180 CC(=O)OCC#Cc1ccc(s1)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N05 compound treatment 0.987 -0.0138 -0.4 0.99 -0.0184 -0.54 -0.6667 -0.9887 3616445 ACon1_002181 C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@@]53CO5)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N06 compound treatment 1.005 0.00419 0.12 1.002 -0.00636 -0.19 -0.0472 -0.211 3559417 ACon1_002182 COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=CC[C@@H]12)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N07 compound treatment 1.012 0.0112 0.32 1.029 0.0206 0.61 0.6606 0.9561 3616447 ACon1_002183 CNc1ccccc1C(=O)OC2OC(C)C(O)C(O)C2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N08 compound treatment 1.037 0.0362 1.05 1.046 0.0376 1.11 1.528 0.9995 3559635 ACon1_002184 CC(=CC(O)C/C(=C\CCC(C)(O)C=C)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N09 mock treatment 0.984 -0.0168 -0.49 0.999 -0.00936 -0.28 -0.54 -0.9641 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N10 mock treatment 0.984 -0.0168 -0.49 0.999 -0.00936 -0.28 -0.54 -0.9641 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N11 compound treatment 0.976 -0.0248 -0.72 0.992 -0.0164 -0.48 -0.8501 -0.9814 3616448 ACon1_002185 CCC[C@@H](O)[C@H](O)[C@@H]1CC(=CC(=O)O1)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N12 compound treatment 1.024 0.0232 0.67 1.03 0.0216 0.64 0.9273 0.9997 3558517 ACon1_002186 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N13 mock treatment 0.968 -0.0328 -0.95 0.998 -0.0104 -0.31 -0.8885 -0.8899 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N14 mock treatment 0.98 -0.0208 -0.6 0.995 -0.0134 -0.39 -0.7055 -0.979 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N15 compound treatment 0.984 -0.0168 -0.49 0.989 -0.0194 -0.57 -0.749 -0.9968 3557442 ACon1_002187 CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N16 compound treatment 0.87 -0.131 -3.79 0.992 -0.0164 -0.48 -3.0208 -0.791 3552715 ACon1_002188 C[C@@H]1CCC2[C@@H](C)C(=O)OC3O[C@@]4(C)CCC1[C@@]23OO4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N17 compound treatment 1.039 0.0382 1.11 1.057 0.0486 1.44 1.7989 0.9916 3557445 ACon1_002189 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N18 compound treatment 1.019 0.0182 0.53 1.042 0.0336 0.99 1.0758 0.9558 3559502 ACon1_002190 COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@H]4C[C@]3(CC4=C)CCC12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N19 compound treatment 1.01 0.00919 0.27 1.026 0.0176 0.52 0.5569 0.9512 3559390 ACon1_002191 Oc1ccc2C(=O)C(C(Oc2c1)c3ccc(O)c(O)c3)C4C(Oc5cc(O)ccc5C4=O)c6ccc(O)c(O)c6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N20 compound treatment 1.046 0.0452 1.31 1.056 0.0476 1.41 1.9214 0.9993 3559784 ACon1_002192 O=C1/C(=C/2\Nc3ccccc3C2=O)/Nc4ccccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N21 compound treatment 1.012 0.0112 0.32 1.025 0.0166 0.49 0.577 0.9795 1090111 ACon1_002193 CC(=C)C1Cc2cc(ccc2O1)C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N22 compound treatment 1.029 0.0282 0.82 1.044 0.0356 1.05 1.3224 0.992 3557455 ACon1_002194 C[C@@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C2CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N23 compound treatment 0.999 -0.00181 -0.05 1.008 -3.59E-4 -0.01 -0.0446 -0.8333 3553947 ACon1_002195 CC1=CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 N24 compound treatment 1.004 0.00319 0.09 0.995 -0.0134 -0.39 -0.214 -0.5276 1737132 ACon1_002196 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O01 compound treatment 0.994 -0.00681 -0.2 0.998 -0.0104 -0.31 -0.3561 -0.9774 3554295 ACon1_002197 CCCCCCCC1OC(=O)CCC(O)/C=C/C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O02 compound treatment 0.995 -0.00581 -0.17 1.004 -0.00436 -0.13 -0.2102 -0.9913 3616449 ACon1_002198 CC1C(O)C=C2[C@@H](CC[C@@]3(O)[C@](C)([C@H](O)CC[C@]23C)C(=O)O)[C@H]1C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O03 compound treatment 0.995 -0.00581 -0.17 1.001 -0.00736 -0.22 -0.2729 -0.992 3558022 ACon1_002199 C/C/1=C\[C@H](O)C2[C@H](OC(=O)C2=C)/C=C(\CO)/CCC1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O04 compound treatment 1.007 0.00619 0.18 1.013 0.00464 0.14 0.2237 0.9913 3616451 ACon1_002200 CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(=O)C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O05 compound treatment 0.996 -0.00481 -0.14 1.008 -3.59E-4 -0.01 -0.1061 -0.7588 3616452 ACon1_002201 CCC/C=C/C(=O)OC1C(O)C2(C(O)OC34CCC5C6(C)CCC(OC7OC(C(O)C(OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(O)C9OC%10OCC(O)C(O)C%10O)C7OC%11OC(CO)C(O)C(O)C%11O)C(=O)O)C(C)(C)C6CCC5(C)C4(C)CC2OC(=O)C)C3CC1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O06 compound treatment 1.004 0.00319 0.09 1.015 0.00664 0.2 0.2041 0.9408 3616299 ACon1_002202 COC(=O)Cc1c(oc2cc(C)cc(O)c2c1=O)C(=CC(=O)O)Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O07 compound treatment 1.005 0.00419 0.12 1.014 0.00564 0.17 0.2037 0.9878 3616454 ACon1_002203 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(C5CC[C@]43C)C(=O)O)[C@@H]2[C@]1(C)O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O08 compound treatment 1.077 0.0762 2.21 1.082 0.0736 2.18 3.0998 1.0 3616455 ACon1_002204 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C=CC(C5C4C=CC(=O)C5(O)C(=O)OCc6cccc(O)c6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C3=O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O09 compound treatment 1.0 -8.13E-4 -0.02 1.01 0.00164 0.05 0.0177 0.3276 3616458 ACon1_002205 COc1cc(O)c(C(=O)c2c(O)cc(C)cc2O)c(c1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O10 compound treatment 0.996 -0.00481 -0.14 1.006 -0.00236 -0.07 -0.1479 -0.9488 1063449 ACon1_002206 COc1c(C)c(OCC=C(C)C)cc(CO)c1CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O11 mock treatment 0.989 -0.0118 -0.34 0.993 -0.0154 -0.45 -0.563 -0.9902 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O12 mock treatment 1.0 -8.13E-4 -0.02 1.015 0.00664 0.2 0.1222 0.6179 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O13 compound treatment 1.007 0.00619 0.18 1.012 0.00364 0.11 0.2028 0.9703 3616460 ACon1_002207 C[C@H](CO)C1=C(O)C(=O)[C@@]2(C)C/C=C(\C)/CC/C=C(\C)/CC[C@H](O)\C(=C\C[C@H]12)\C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O14 compound treatment 0.944 -0.0568 -1.65 0.945 -0.0634 -1.87 -2.488 -0.9979 3616463 ACon1_002208 OC[C@H]1O[C@@H](OC2OC=C3C(CC4N(CCc5c4[nH]c6ccccc56)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O15 compound treatment 1.007 0.00619 0.18 1.005 -0.00336 -0.1 0.0565 0.2757 3616464 ACon1_002209 CC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)C8CC7(C(O)CC65C)C(=O)O8)C3(C)C)OC2CO)C(O)C(OC9OCC(O)C(O)C9O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O16 compound treatment 1.006 0.00519 0.15 1.011 0.00264 0.08 0.1614 0.9535 3616465 ACon1_002210 COC1OC2C(c3ccc4OCOc4c13)[N+](C)([O-])CCc5cc6OCOc6cc25 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O17 compound treatment 1.012 0.0112 0.32 1.018 0.00964 0.29 0.4307 0.998 3616466 ACon1_002211 CCC(C)C(O)(CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O18 compound treatment 1.02 0.0192 0.56 1.034 0.0256 0.76 0.929 0.9883 3616469 ACon1_002212 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1OC(=O)/C=C/c3ccc(O)c(O)c3)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O19 compound treatment 1.001 1.87E-4 0.01 1.004 -0.00436 -0.13 -0.0873 -0.6767 3616471 ACon1_002213 CC(C)CC1NC(=O)C2(O)C1C(C)C(=CC2/C=C(\C)/CCC(O)C(O)/C=C/C(=O)O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O20 compound treatment 1.036 0.0352 1.02 1.031 0.0226 0.67 1.1939 0.9792 3554660 ACon1_002214 COC(=O)C1(Cc2ccc(O)c(CC3OC3(C)C)c2)OC(=O)C(=C1c4ccc(O)cc4)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O21 compound treatment 0.994 -0.00681 -0.2 0.993 -0.0154 -0.45 -0.4606 -0.9303 3616474 ACon1_002215 C[C@H](CC/C=C(\C)/C(=O)OC1OC(CO)C(O)C(O)C1O)[C@H]2CC(OC3OCC(O)C(O)C3O)[C@@]4(C)C5CC[C@@H]6[C@]7(C[C@@]57CC(O)[C@]24C)CC[C@H](O[C@@H]8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C6(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O22 compound treatment 1.021 0.0202 0.58 1.028 0.0196 0.58 0.824 1.0 3558516 ACon1_002216 COC(=O)C(C(O)c1ccc(O)c(OC)c1)C(CO)Cc2ccc(O)c(OC)c2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O23 compound treatment 1.006 0.00519 0.15 1.005 -0.00336 -0.1 0.036 0.1999 3616477 ACon1_002217 COC1(C)C(O)C(=O)C(=C(Oc2cc(C)c(C(=O)NCCc3ccc(O)c(O)c3)c(O)c2C)C1O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 O24 compound treatment 1.04 0.0392 1.13 1.048 0.0396 1.17 1.6312 0.9999 3616478 ACon1_002218 CC1CCC2(C)C(CC(O)C(O)C32CO3)C1(C)CCC4=CC(=O)OC4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P01 compound treatment 1.017 0.0162 0.47 1.025 0.0166 0.49 0.6794 0.9997 3616479 ACon1_002219 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)O)OC(=O)CCc4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P02 compound treatment 1.017 0.0162 0.47 1.025 0.0166 0.49 0.6794 0.9997 3559761 ACon1_002220 CS(=O)(=O)CCC/C(=N\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P03 compound treatment 1.002 0.00119 0.03 1.01 0.00164 0.05 0.0586 0.9858 3616481 ACon1_002221 COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@@H]31 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P04 compound treatment 0.986 -0.0148 -0.43 0.991 -0.0174 -0.51 -0.6663 -0.996 3559446 ACon1_002222 COc1cc2OC(C)(C)C=Cc2cc1C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P05 compound treatment 0.99 -0.0108 -0.31 0.998 -0.0104 -0.31 -0.438 -0.9999 3558885 ACon1_002223 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@@H]3N[C@@H](Cc4c3[nH]c5ccccc45)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P06 compound treatment 1.048 0.0472 1.37 1.046 0.0376 1.11 1.7533 0.9948 3558178 ACon1_002224 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P07 compound treatment 1.012 0.0112 0.32 1.016 0.00764 0.23 0.3888 0.9845 3558887 ACon1_002225 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P08 compound treatment 1.026 0.0252 0.73 1.028 0.0196 0.58 0.9264 0.9936 3559717 ACon1_002226 CC1(C)CC(=O)c2ccc(O)cc2O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P09 compound treatment 1.001 1.87E-4 0.01 1.014 0.00564 0.17 0.1218 0.7297 3559894 ACon1_002227 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C(O)C[C@]43C)C12)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P10 compound treatment 1.027 0.0262 0.76 1.054 0.0456 1.35 1.4905 0.9629 3557753 ACon1_002228 CC(O)/C=C/C1(O)C(=CC(=O)CC1(C)C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P11 mock treatment 1.004 0.00319 0.09 1.007 -0.00136 -0.04 0.0369 0.3661 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P12 mock treatment 1.001 1.87E-4 0.01 1.005 -0.00336 -0.1 -0.0664 -0.6675 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P13 compound treatment 1.012 0.0112 0.32 1.045 0.0366 1.08 0.9951 0.8801 3552932 ACon1_002229 C[C@H](CCCC(C)(C(=O)O)C(=O)O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P14 compound treatment 0.944 -0.0568 -1.65 0.956 -0.0524 -1.55 -2.2581 -0.9995 3553129 ACon1_002230 C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]3(C)[C@H]1C=CC3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P15 compound treatment 1.114 0.113 3.28 1.12 0.112 3.3 4.6519 1.0 346 ACon1_002231 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P16 compound treatment 1.037 0.0362 1.05 1.05 0.0416 1.23 1.6116 0.9968 3552697 ACon1_002232 C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@@H](CCC2(O)CO)C3(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P17 compound treatment 1.135 0.134 3.89 1.156 0.148 4.37 5.8346 0.9983 3557610 ACon1_002233 O[C@H]1[C@H](O)[C@@H](OC(=O)c2ccc(O)cc2)[C@H](Oc3ccc(O)cc3)O[C@@H]1COC(=O)CC(=O)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P18 compound treatment 1.013 0.0122 0.35 1.026 0.0176 0.52 0.6184 0.9819 3559496 ACon1_002234 COC(=O)C[C@H](C)CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P19 compound treatment 1.124 0.123 3.57 1.134 0.126 3.71 5.1494 0.9998 3554682 ACon1_002235 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@H](C[C@@H]31)OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6[C@@H](C)[C@H](C[C@@H]64)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P20 compound treatment 1.021 0.0202 0.58 1.042 0.0336 0.99 1.1167 0.9679 3557448 ACon1_002236 C[C@@]12CCC3[C@@H](CCc4cc(O)ccc34)C2CC[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P21 compound treatment 1.034 0.0332 0.96 1.052 0.0436 1.29 1.592 0.9895 3559463 ACon1_002237 C/C(=C\CCC(C)(O)C=C)/CCC(O)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P22 compound treatment 1.001 1.87E-4 0.01 1.014 0.00564 0.17 0.1218 0.7297 3557457 ACon1_002238 C[C@@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C2CC[C@@H]1C(=O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P23 compound treatment 1.018 0.0172 0.5 1.027 0.0186 0.55 0.7417 0.9987 3559434 ACon1_002239 CCCCCCCCCCCC=C=CCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2296 P24 compound treatment 1.029 0.0282 0.82 1.032 0.0236 0.7 1.0715 0.997 3559647 ACon1_002240 COc1ccc2C(=O)/C(=C/c3ccccc3)/Oc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A01 compound treatment 1.012 -0.00246 -0.07 0.991 -0.0237 -0.7 -0.5464 -0.7749 3552712 ACon1_002241 C[C@@H]1CCC/C=C/[C@H]2C[C@@H](O)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A02 compound treatment 0.999 -0.0155 -0.45 1.013 -0.00173 -0.05 -0.3527 -0.7826 3559403 ACon1_002242 O=CNCCc1c[nH]c2ccccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A03 compound treatment 0.992 -0.0225 -0.65 0.991 -0.0237 -0.7 -0.9559 -0.9993 1060832 ACon1_002243 OCC(Cc1ccccc1)NC(=O)c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A04 compound treatment 1.015 5.41E-4 0.02 1.021 0.00627 0.19 0.1422 0.7641 3555658 ACon1_002244 O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)Cc3ccccc3)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A05 compound treatment 0.988 -0.0265 -0.77 0.997 -0.0177 -0.52 -0.9124 -0.9828 3554875 ACon1_002245 COc1cc(ccc1O)[C@H]2[C@H]3COC4(O)[C@H]3C(=CC2C4=O)[C@H]5Oc6cc(O)cc(O)c6C(=O)[C@@H]5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A06 compound treatment 0.997 -0.0175 -0.51 0.999 -0.0157 -0.46 -0.6863 -0.9991 1032994 ACon1_002246 O=C1CC(Oc2ccccc12)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A07 compound treatment 0.978 -0.0365 -1.06 0.998 -0.0167 -0.49 -1.0963 -0.9403 3559373 ACon1_002247 C/C=C(\C)/C(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](C)[C@](C)(CC(=O)c2ccoc2)C3CCC=C(C)[C@]13C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A08 compound treatment 1.014 -4.59E-4 -0.01 0.987 -0.0277 -0.82 -0.5891 -0.7185 3557592 ACon1_002248 CC1(C)CCCC2(C)C(CCC(=C)C(O)CO)C(C)(O)CCC12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A09 compound treatment 0.989 -0.0255 -0.74 0.992 -0.0227 -0.67 -0.9965 -0.9989 3559707 ACon1_002249 COc1ccc2C=C(COc2c1)c3cc(O)c(O)cc3OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A10 compound treatment 0.986 -0.0285 -0.82 0.995 -0.0197 -0.58 -0.9952 -0.9857 3559278 ACon1_002250 CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A11 compound treatment 1.0 -0.0145 -0.42 0.988 -0.0267 -0.79 -0.8548 -0.9559 3559492 ACon1_002251 C[C@@H]1CCC2C(=CC(=O)CC2(C)C)[C@@]1(C)CC/C(=C/CO)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A12 compound treatment 0.987 -0.0275 -0.8 0.976 -0.0387 -1.14 -1.3719 -0.9841 3616487 ACon1_002252 CC1OC(=O)CC2C(=CC3CC(C)(C)CC321)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A13 mock treatment 0.982 -0.0325 -0.94 0.995 -0.0197 -0.58 -1.0771 -0.9736 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A14 mock treatment 0.979 -0.0355 -1.03 0.972 -0.0427 -1.26 -1.6194 -0.9947 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A15 compound treatment 0.993 -0.0215 -0.62 0.979 -0.0357 -1.06 -1.1863 -0.968 3616488 ACon1_002253 CON1c2ccccc2[C@]3(C=C(OC)C(=O)N4/C(=C/c5cnc[nH]5)/C(=O)N[C@@]143)C(C)(C)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A16 compound treatment 1.0 -0.0145 -0.42 0.993 -0.0217 -0.64 -0.7503 -0.9785 1637425 ACon1_002254 Cc1cc(O)c(Cc2c(O)cc(C)oc2=O)c(=O)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A17 compound treatment 0.993 -0.0215 -0.62 0.994 -0.0207 -0.61 -0.8728 -1.0 3558320 ACon1_002255 COc1cc(/C=C/C(=O)NCCCCNC(=O)C)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A18 compound treatment 0.987 -0.0275 -0.8 0.999 -0.0157 -0.46 -0.8911 -0.9673 3553473 ACon1_002256 CC(C)(O)C1=CCC2(COC3C2)C1CCC3(O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A19 compound treatment 1.0 -0.0145 -0.42 0.994 -0.0207 -0.61 -0.7294 -0.9828 3558714 ACon1_002257 COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(oc2c1)c5ccc(O)cc5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A20 compound treatment 1.012 -0.00246 -0.07 0.996 -0.0187 -0.55 -0.4418 -0.7915 3616491 ACon1_002258 COc1cc(oc(=O)c1C)/C(=C/C(=C\C(=O)O)/C)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A21 compound treatment 0.99 -0.0245 -0.71 0.99 -0.0247 -0.73 -1.0178 -0.9999 3559881 ACon1_002259 CC(=CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)C[C@H](Oc13)c4ccc(O)cc4)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A22 compound treatment 0.989 -0.0255 -0.74 1.007 -0.00773 -0.23 -0.6829 -0.8847 3616494 ACon1_002260 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5C=C[C@@]78OC[C@@]9(CCC(C)(C)C[C@H]98)[C@@H](O)C[C@]76C)[C@]4(C)CO)[C@@H]3O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A23 compound treatment 1.001 -0.0135 -0.39 1.003 -0.0117 -0.35 -0.5208 -0.9983 3552806 ACon1_002261 C[C@@H]1O[C@@H](OCC2OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC[C@@H]6C7[C@@](C)(O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H](CC=C(C)C)O[C@@]7(O)[C@H](O)[C@]65C)C3(C)C)C(O)C(O)C2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 A24 compound treatment 1.0 -0.0145 -0.42 1.01 -0.00473 -0.14 -0.3949 -0.8946 1062887 ACon1_002262 CC1C(=O)c2cc3OCOc3cc2CCN(C)Cc4c5OCOc5ccc14 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B01 compound treatment 0.982 -0.0325 -0.94 0.979 -0.0357 -1.06 -1.4116 -0.9983 1047225 ACon1_002263 COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B02 mock treatment 1.04 0.0255 0.74 1.02 0.00527 0.16 0.6333 0.8378 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B03 compound treatment 0.995 -0.0195 -0.56 0.993 -0.0217 -0.64 -0.8527 -0.9979 3559335 ACon1_002264 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)/C(=C\C)/C1CC(=O)OCC(CO)C3CC(OC(=O)CC4\C(=C\C)\C(OC5OC(CO)C(O)C(O)C5O)OC=C4C(=O)OC)C(C)C3COC(=O)CC6\C(=C\C)\C(OC7OC(CO)C(O)C(O)C7O)OC=C6C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B04 mock treatment 1.004 -0.0105 -0.3 0.987 -0.0277 -0.82 -0.7938 -0.9084 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B05 compound treatment 0.984 -0.0305 -0.88 0.991 -0.0237 -0.7 -1.1198 -0.9936 3616499 ACon1_002265 CO[C@@H]1[C@H](Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2C1=O)c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B06 mock treatment 0.99 -0.0245 -0.71 0.999 -0.0157 -0.46 -0.8297 -0.9792 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B07 compound treatment 0.775 -0.239 -6.93 0.756 -0.259 -7.65 -10.3128 -0.9988 3616501 ACon1_002266 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)/C=C/c2ccc(O)cc2)C(=O)O)OC(=O)/C=C/c3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B08 mock treatment 1.019 0.00454 0.13 1.007 -0.00773 -0.23 -0.0685 -0.26 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B09 compound treatment 0.984 -0.0305 -0.88 0.999 -0.0157 -0.46 -0.9525 -0.9552 3616503 ACon1_002267 COC(=O)[C@]12O[C@@H]2[C@@H](C[C@H]3[C@]4(C)C[C@H](OC(=O)[C@H]4CC[C@]31C)c5ccoc5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B10 mock treatment 1.004 -0.0105 -0.3 0.986 -0.0287 -0.85 -0.8147 -0.9035 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B11 compound treatment 1.021 0.00654 0.19 1.02 0.00527 0.16 0.2442 0.9953 3616506 ACon1_002268 OC1C(O)C2C(C(C1C=C2/C=C/C(=O)O)c3ccc(O)c(O)c3)C(=O)OC(Cc4ccc(O)c(O)c4)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B12 mock treatment 0.981 -0.0335 -0.97 1.009 -0.00573 -0.17 -0.8049 -0.8183 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B13 mock treatment 0.988 -0.0265 -0.77 0.982 -0.0327 -0.97 -1.226 -0.9933 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B14 mock treatment 0.993 -0.0215 -0.62 0.982 -0.0327 -0.97 -1.1236 -0.9771 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B15 compound treatment 0.988 -0.0265 -0.77 0.982 -0.0327 -0.97 -1.226 -0.9933 3558465 ACon1_002269 CC1OC(OC2C(O)C(O)C(CO)OC2Oc3c(oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)c6ccc(O)cc6)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B16 mock treatment 0.993 -0.0215 -0.62 0.995 -0.0197 -0.58 -0.8518 -0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B17 compound treatment 1.01 -0.00446 -0.13 1.001 -0.0137 -0.41 -0.3783 -0.8882 3555288 ACon1_002270 COc1ccc2CC3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2C54CCN3C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B18 mock treatment 0.983 -0.0315 -0.91 1.002 -0.0127 -0.38 -0.9103 -0.9235 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B19 compound treatment 1.041 0.0265 0.77 1.062 0.0473 1.4 1.5319 0.9603 3559140 ACon1_002271 C/C=C(/C)\C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]6O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)C(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]12CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B20 mock treatment 1.046 0.0315 0.91 1.032 0.0173 0.51 1.007 0.9623 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B21 compound treatment 0.995 -0.0195 -0.56 0.994 -0.0207 -0.61 -0.8318 -0.9991 3559603 ACon1_002272 CC1(C)CCCC2C3(C)CCC(C)(CC3CCC21O)C(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B22 mock treatment 1.007 -0.00746 -0.22 0.986 -0.0287 -0.85 -0.7533 -0.8596 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B23 compound treatment 1.009 -0.00546 -0.16 1.003 -0.0117 -0.35 -0.3569 -0.9368 3558670 ACon1_002273 Oc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 B24 mock treatment 1.015 5.41E-4 0.02 1.019 0.00427 0.13 0.1004 0.7888 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C01 compound treatment 1.017 0.00254 0.07 1.018 0.00327 0.1 0.1205 0.9909 3557715 ACon1_002274 OC[C@H]1O[C@@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C02 compound treatment 1.042 0.0275 0.8 1.025 0.0103 0.3 0.7788 0.9125 3559945 ACon1_002275 OC[C@H]1O[C@@H](OC(C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C03 compound treatment 1.013 -0.00146 -0.04 1.017 0.00227 0.07 0.0177 0.2225 3558659 ACon1_002276 CC(C)(O)c1ccc2c(CCC3C(C)(CCCC32C)C(=O)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C04 compound treatment 1.053 0.0385 1.12 1.045 0.0303 0.9 1.4222 0.994 3553732 ACon1_002277 CC(NC(=O)/C=C/C(=O)O)C(=O)NC(C(C)c1c[nH]c2ccccc12)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C05 compound treatment 1.011 -0.00346 -0.1 1.02 0.00527 0.16 0.0394 0.2127 3553321 ACon1_002278 CC(=O)O[C@@H]/1C\C=C(/C)\C[C@@H](OC(=O)/C(=C/CO)/CO)C2[C@H](OC(=O)C2=C)/C=C1/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C06 compound treatment 1.04 0.0255 0.74 1.045 0.0303 0.9 1.156 0.9955 3616509 ACon1_002279 CC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C07 compound treatment 1.022 0.00754 0.22 1.023 0.00827 0.24 0.3274 0.9984 3554995 ACon1_002280 COc1cc(O)cc2cc3OC(C)(O)CC(=O)c3c(O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C08 compound treatment 1.011 -0.00346 -0.1 1.008 -0.00673 -0.2 -0.2115 -0.9496 3554703 ACon1_002281 COC(=O)c1cc(O)cc(O)c1C(=O)c2c(O)cc(C)cc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C09 compound treatment 1.014 -4.59E-4 -0.01 1.034 0.0193 0.57 0.3936 0.6904 3559543 ACon1_002282 C[C@]12C[C@H]3OC(=O)C(=C)[C@H]3CC2C(=C)CC[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C10 compound treatment 1.002 -0.0125 -0.36 1.024 0.00927 0.27 -0.0613 -0.1352 2107842 ACon1_002283 C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c3ccccc3)[C@@H](OC(=O)COC(=O)C)[C@]4(C[C@@H]5[C@H](CC(C)(C)C5=O)[C@](C)(C4OC(=O)C)[C@H]2OC(=O)C)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C11 mock treatment 1.021 0.00654 0.19 1.011 -0.00373 -0.11 0.0561 0.2558 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C12 mock treatment 1.026 0.0115 0.33 1.029 0.0143 0.42 0.5348 0.9933 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C13 compound treatment 1.02 0.00554 0.16 1.02 0.00527 0.16 0.2237 0.9999 3554771 ACon1_002284 COc1c(O)ccc2C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4cc(C)cc(O)c4C(=O)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C14 compound treatment 1.008 -0.00646 -0.19 1.019 0.00427 0.13 -0.0429 -0.1901 3616510 ACon1_002285 CC1CC(=O)C2=C(O1)OC3(C)CCC4(O)C(C)(C)C=CC(=O)C4(C)C3C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C15 mock treatment 1.013 -0.00146 -0.04 1.019 0.00427 0.13 0.0595 0.4464 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C16 mock treatment 0.989 -0.0255 -0.74 1.005 -0.00973 -0.29 -0.7247 -0.9157 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C17 compound treatment 0.995 -0.0195 -0.56 1.026 0.0113 0.33 -0.1628 -0.2486 3558911 ACon1_002286 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@]43C)[C@@H]2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C18 compound treatment 1.063 0.0485 1.41 1.079 0.0643 1.9 2.3378 0.989 3559669 ACon1_002287 COC(=O)C1(C)CCCC(=C)C1CC/C(=C/CCC2=CC(=O)OC2)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C19 compound treatment 1.022 0.00754 0.22 1.034 0.0193 0.57 0.5574 0.9133 3555826 ACon1_002288 OC(=O)C1OC(=O)C(CCCCCCCCC=C)C1(O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C20 compound treatment 1.037 0.0225 0.65 1.044 0.0293 0.87 1.0736 0.9903 3616511 ACon1_002289 COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C=C(CO)[C@@H]4[C@H]3C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C21 compound treatment 1.01 -0.00446 -0.13 1.008 -0.00673 -0.2 -0.2319 -0.9781 3616514 ACon1_002290 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)OC(=O)/C=C/c3ccc(O)c(O)c3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C22 compound treatment 1.06 0.0455 1.32 1.051 0.0363 1.07 1.691 0.9947 3616517 ACon1_002291 COC(=O)CC1(C/C=C(\C)/CCC=C(C)C)CC(=O)CCC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C23 compound treatment 1.015 5.41E-4 0.02 1.007 -0.00773 -0.23 -0.1504 -0.6571 3555607 ACon1_002292 O[C@@H]1Cc2c(O)cc3O[C@]4(Oc5cc(O)cc(O)c5[C@H]([C@H]4O)c3c2O[C@@H]1c6ccc(O)cc6)c7ccc(O)cc7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 C24 compound treatment 1.015 5.41E-4 0.02 1.031 0.0163 0.48 0.3513 0.7297 3069520 ACon1_002293 COc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D01 compound treatment 1.002 -0.0125 -0.36 1.013 -0.00173 -0.05 -0.2912 -0.7992 3616522 ACon1_002294 C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3C=C[C@@]56OC[C@@]7(CCC(C)(C)C[C@H]76)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D02 mock treatment 1.02 0.00554 0.16 1.016 0.00127 0.04 0.1401 0.85 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D03 compound treatment 0.961 -0.0535 -1.55 0.973 -0.0417 -1.23 -1.9671 -0.9937 3616525 ACon1_002295 OC[C@H]1O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D04 mock treatment 1.016 0.00154 0.04 1.02 0.00527 0.16 0.1418 0.8744 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D05 compound treatment 1.031 0.0165 0.48 1.035 0.0203 0.6 0.7626 0.9938 3616527 ACon1_002296 COC(=O)C1=C[C@@H](C[C@H]2[C@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D06 mock treatment 1.05 0.0355 1.03 1.035 0.0203 0.6 1.1517 0.9669 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D07 compound treatment 1.017 0.00254 0.07 1.029 0.0143 0.42 0.3505 0.8181 3616529 ACon1_002297 CC1OC(OC2C(O)COC(OC3C(O)C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC6C7=CCC8C9(C)CC(O)C(OC%10OC(C)C(O)C(OC%11OCC(O)C(OC%12OCC(OC%13OCC(O)(CO)C%13O)C(O)C%12O)C%11O)C%10O)C(C)(CO)C9CCC8(C)C7(C)CC5O)OC(C)C(O)C4OC%14OCC(O)C(O)C%14O)C3O)C2O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D08 mock treatment 1.015 5.41E-4 0.02 1.034 0.0193 0.57 0.414 0.7263 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D09 compound treatment 1.014 -4.59E-4 -0.01 1.016 0.00127 0.04 0.0172 0.4315 3616530 ACon1_002298 CC(C)(O)CCc1cc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2cc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D10 mock treatment 1.0 -0.0145 -0.42 0.99 -0.0247 -0.73 -0.813 -0.965 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D11 mock treatment 1.009 -0.00546 -0.16 1.024 0.00927 0.27 0.0821 0.2594 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D12 mock treatment 1.003 -0.0115 -0.33 1.018 0.00327 0.1 -0.1662 -0.4808 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D13 compound treatment 1.044 0.0295 0.86 1.042 0.0273 0.81 1.1752 0.9996 3616533 ACon1_002299 CC1(CO)C(OC2OCC(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)C(O)CC4(C)C1CCC5(C)C4CC=C6C7CC(=C)CCC7(CCC65C)C(=O)OC8OC(CO)C(O)C(O)C8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D14 mock treatment 1.023 0.00854 0.25 1.019 0.00427 0.13 0.2643 0.9514 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D15 mock treatment 1.007 -0.00746 -0.22 1.007 -0.00773 -0.23 -0.3143 -0.9996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D16 mock treatment 1.017 0.00254 0.07 1.025 0.0103 0.3 0.2668 0.8537 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D17 compound treatment 1.03 0.0155 0.45 1.035 0.0203 0.6 0.7421 0.99 3559611 ACon1_002300 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O[C@H]5CC[C@@]6(C)C(CC[C@]7(C)C6CC[C@@]89OC[C@@]%10(CCC(C)(C)CC%109)[C@H](O)C[C@]87C)C5(C)C)O[C@@H]3C(=O)O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D18 mock treatment 1.048 0.0335 0.97 1.053 0.0383 1.13 1.487 0.9971 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D19 compound treatment 1.039 0.0245 0.71 1.053 0.0383 1.13 1.3027 0.9749 3559413 ACon1_002301 COC(=O)[C@H]1CC[C@H](OC(=O)C)[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D20 mock treatment 1.023 0.00854 0.25 1.021 0.00627 0.19 0.3061 0.9899 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D21 compound treatment 1.011 -0.00346 -0.1 1.026 0.0113 0.33 0.1649 0.4737 3559708 ACon1_002302 CC(OC(=O)/C=C(/C)\COC(=O)C)c1ccc(O)c(c1)C(=O)C=C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D22 mock treatment 1.022 0.00754 0.22 1.024 0.00927 0.27 0.3483 0.9936 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D23 compound treatment 1.103 0.0885 2.56 1.09 0.0753 2.23 3.3869 0.9975 3558805 ACon1_002303 CC1[C@@H]2CCC3(C)OC43C(O)C=C(C)C4[C@H]2OC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 D24 mock treatment 1.024 0.00954 0.28 1.034 0.0193 0.57 0.5983 0.9448 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E01 mock treatment 1.021 0.00654 0.19 1.019 0.00427 0.13 0.2233 0.9806 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E02 mock treatment 1.023 0.00854 0.25 1.021 0.00627 0.19 0.3061 0.9899 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E03 compound treatment 1.025 0.0105 0.31 1.017 0.00227 0.07 0.2634 0.8426 3616539 ACon1_002304 COc1cccc2C(=O)c3c(C(=O)c12)c(O)cc4CC(C)(O)CC(=O)c43 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E04 compound treatment 1.021 0.00654 0.19 1.032 0.0173 0.51 0.4951 0.9089 3616542 ACon1_002305 CC(O)/C=C/C1(O)C(C)CC(O)CC1(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E05 compound treatment 1.018 0.00354 0.1 1.022 0.00727 0.22 0.2246 0.9426 1054502 ACon1_002306 COc1cc2n(C)c3ccccc3c(=O)c2c(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E06 compound treatment 1.03 0.0155 0.45 1.023 0.00827 0.24 0.4912 0.9589 3616546 ACon1_002307 CC1OC(OCC2(C)CCC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(COC7OC(CO)C(O)C(O)C7O)C6CCC54C)C3=C2)C(=O)O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E07 compound treatment 1.023 0.00854 0.25 1.014 -7.26E-4 -0.02 0.1597 0.6433 3616548 ACon1_002308 CC(O)CC1CCC(O)C(C)C(=O)OC(CC(C)O)CCC(O)C(C)C(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E08 compound treatment 1.036 0.0215 0.62 1.039 0.0243 0.72 0.9486 0.9976 3559871 ACon1_002309 C/C=C\1/CN2C3Cc4c([nH]c5ccc(O)cc45)C2(O)CC1C3CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E09 mock treatment 1.013 -0.00146 -0.04 1.022 0.00727 0.22 0.1222 0.5575 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E10 mock treatment 1.024 0.00954 0.28 1.019 0.00427 0.13 0.2847 0.9371 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E11 compound treatment 1.01 -0.00446 -0.13 1.003 -0.0117 -0.35 -0.3365 -0.9094 3559551 ACon1_002310 C[C@H]1C[C@H]2OC(=O)C(=C2CC/C(=C/CC1=O)/C)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E12 compound treatment 1.056 0.0415 1.2 1.071 0.0563 1.66 2.0272 0.9873 3616552 ACon1_002311 CC1CCC2C(=CC3(O)CC(C)(C)CC123)C(=O)OC4OC(C)C(O)C(O)C4O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E13 compound treatment 1.016 0.00154 0.04 1.022 0.00727 0.22 0.1836 0.836 3420076 ACon1_002312 CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E14 compound treatment 1.016 0.00154 0.04 1.026 0.0113 0.33 0.2673 0.7947 3559755 ACon1_002313 CC1(CCCC(C)(C)C2C3CCC21)C3CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E15 compound treatment 1.001 -0.0135 -0.39 1.016 0.00127 0.04 -0.249 -0.6358 3554678 ACon1_002314 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C)/[C@@H]1CC(=O)OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]3OC(=O)C[C@H]5\C(=C\C)\[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C5C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E16 compound treatment 1.084 0.0695 2.01 1.081 0.0663 1.96 2.8096 0.9999 3559326 ACon1_002315 CC(=CCC/C(=C/CC(O)/C(=C/Cc1cc(ccc1O)C(=O)O)/C)/C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E17 mock treatment 1.021 0.00654 0.19 1.006 -0.00873 -0.26 -0.0485 -0.1515 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E18 mock treatment 1.009 -0.00546 -0.16 1.013 -0.00173 -0.05 -0.1479 -0.8901 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E19 compound treatment 1.031 0.0165 0.48 1.02 0.00527 0.16 0.449 0.8912 3553717 ACon1_002316 CC(CCCCC(O)C(CO)C(=O)OC(CCCCC(C)C/C(=C/C(=C/C(=O)O)/C)/C)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E20 compound treatment 1.043 0.0285 0.83 1.042 0.0273 0.81 1.1547 0.9999 3616556 ACon1_002317 O=C(NCCCCNCCCNC(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E21 compound treatment 1.024 0.00954 0.28 1.018 0.00327 0.1 0.2638 0.9011 3554770 ACon1_002318 COc1c(O)cc2C(Oc3cc4C(O)C(C)OC(=O)c4c(O)c3OC)C(C)OC(=O)c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E22 compound treatment 1.048 0.0335 0.97 1.058 0.0433 1.28 1.5916 0.9908 3616560 ACon1_002319 O[C@@H]1[C@@H](COC(=O)/C=C/C2(O)C=CC(=O)C=C2)O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@H]1OC(=O)/C=C/C4(O)C=CC(=O)C=C4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E23 compound treatment 1.026 0.0115 0.33 1.026 0.0113 0.33 0.472 1.0 1088382 ACon1_002320 CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 E24 compound treatment 1.016 0.00154 0.04 1.029 0.0143 0.42 0.33 0.7776 3616565 ACon1_002321 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F01 mock treatment 1.007 -0.00746 -0.22 1.018 0.00327 0.1 -0.0843 -0.3561 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F02 mock treatment 1.019 0.00454 0.13 1.009 -0.00573 -0.17 -0.0267 -0.1246 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F03 compound treatment 1.052 0.0375 1.09 1.052 0.0373 1.1 1.548 1.0 3212153 ACon1_002322 OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F04 mock treatment 1.019 0.00454 0.13 1.009 -0.00573 -0.17 -0.0267 -0.1246 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F05 compound treatment 0.992 -0.0225 -0.65 1.008 -0.00673 -0.2 -0.6005 -0.883 3616570 ACon1_002323 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H]4CN5CCc6c([nH]c7ccccc67)[C@]5(C[C@@H]31)O4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F06 mock treatment 1.017 0.00254 0.07 1.006 -0.00873 -0.26 -0.1304 -0.486 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F07 compound treatment 1.02 0.00554 0.16 1.008 -0.00673 -0.2 -0.0271 -0.1062 3616572 ACon1_002324 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC3OCC(O)C(O)C3O)O[C@@H](Oc4cc(O)c5C(=O)CC(Oc5c4)c6ccc(O)cc6)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F08 mock treatment 1.011 -0.00346 -0.1 1.014 -7.26E-4 -0.02 -0.086 -0.8396 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F09 mock treatment 1.022 0.00754 0.22 1.03 0.0153 0.45 0.4738 0.9444 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F10 mock treatment 1.025 0.0105 0.31 1.018 0.00327 0.1 0.2843 0.8878 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F11 compound treatment 1.062 0.0475 1.38 1.052 0.0373 1.1 1.7528 0.9939 3616576 ACon1_002325 CC(=CCc1cc2C(=O)C(O)C(Oc2c3C(O)C(O)C(C)(C)Oc13)c4ccc(O)cc4)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F12 mock treatment 1.022 0.00754 0.22 1.057 0.0423 1.25 1.0382 0.8183 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F13 compound treatment 1.051 0.0365 1.06 1.057 0.0423 1.25 1.6321 0.9966 3616580 ACon1_002326 COc1cc(CC2COC(C2COC3OC(CO)C(O)C(O)C3O)c4ccc(O)c(OC)c4)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F14 mock treatment 1.025 0.0105 0.31 1.03 0.0153 0.45 0.5352 0.9818 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F15 compound treatment 1.05 0.0355 1.03 1.061 0.0463 1.37 1.6952 0.9902 2090754 ACon1_002327 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F16 mock treatment 1.027 0.0125 0.36 1.033 0.0183 0.54 0.6389 0.9813 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F17 mock treatment 1.016 0.00154 0.04 1.039 0.0243 0.72 0.539 0.7496 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F18 mock treatment 0.991 -0.0235 -0.68 1.035 0.0203 0.6 -0.0565 -0.0624 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F19 compound treatment 1.043 0.0285 0.83 1.037 0.0223 0.66 1.0501 0.9937 3559435 ACon1_002328 COc1c2occc2c(OCC(OC(=O)/C(=C\C)/C)C(C)(C)O)c3ccc(=O)oc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F20 mock treatment 1.024 0.00954 0.28 1.033 0.0183 0.54 0.5774 0.9515 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F21 compound treatment 1.032 0.0175 0.51 1.036 0.0213 0.63 0.804 0.9944 3558554 ACon1_002329 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O)C(=O)O)C(C)(C)C5CC[C@]43C)C2C1)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F22 mock treatment 1.033 0.0185 0.54 1.033 0.0183 0.54 0.7617 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F23 compound treatment 1.034 0.0195 0.57 1.024 0.00927 0.27 0.5941 0.9447 3616583 ACon1_002330 OC(=O)c1cc(O)c(O)c(O)c1Oc2cc3C(=O)OC[C@H]4O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@@H](OC(=O)c7cc(O)c(O)c(O)c7)[C@@H]4OC(=O)c8cc(O)c(O)c(O)c8-c3c(O)c2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 F24 mock treatment 1.044 0.0295 0.86 1.029 0.0143 0.42 0.9034 0.947 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G01 compound treatment 1.016 0.00154 0.04 1.011 -0.00373 -0.11 -0.0463 -0.3899 3557489 ACon1_002331 CC12CC3(CC2C1CC34)CC(O)C5C(C)(CO)CCCC45C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G02 compound treatment 1.009 -0.00546 -0.16 1.007 -0.00773 -0.23 -0.2733 -0.9838 3557405 ACon1_002332 CCCC(O)C(O)C1CC(=CC(=O)O1)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G03 mock treatment 1.01 -0.00446 -0.13 0.996 -0.0187 -0.55 -0.4828 -0.8492 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G04 mock treatment 1.012 -0.00246 -0.07 1.017 0.00227 0.07 -0.0028 -0.0287 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G05 compound treatment 1.015 5.41E-4 0.02 1.021 0.00627 0.19 0.1422 0.7641 3554767 ACon1_002333 COc1c(O)c2c(CCC3C(C)(C)CCC[C@@]32C(=O)O)cc1C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G06 compound treatment 1.03 0.0155 0.45 1.029 0.0143 0.42 0.6167 0.9995 3616588 ACon1_002334 COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G07 compound treatment 1.011 -0.00346 -0.1 1.015 2.74E-4 0.01 -0.0651 -0.6478 1034509 ACon1_002335 Cc1cc(=O)c2COc3cc(O)c(O)c(C(=O)O)c3-c2o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G08 compound treatment 1.014 -4.59E-4 -0.01 1.007 -0.00773 -0.23 -0.1709 -0.747 3552648 ACon1_002336 C[C@@H]1C[C@H](O)/C=C/[C@H](O)[C@@H](O)CC(=O)O1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G09 compound treatment 1.002 -0.0125 -0.36 1.004 -0.0107 -0.32 -0.4794 -0.9979 3557256 ACon1_002337 CC(=O)c1c(O)cc(O)cc1CC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G10 compound treatment 1.017 0.00254 0.07 1.005 -0.00973 -0.29 -0.1513 -0.5097 3555790 ACon1_002338 O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N4CCCC41 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G11 compound treatment 0.999 -0.0155 -0.45 1.01 -0.00473 -0.14 -0.4154 -0.8857 3616592 ACon1_002339 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G12 compound treatment 0.986 -0.0285 -0.82 1.014 -7.26E-4 -0.02 -0.598 -0.7253 3616597 ACon1_002340 CCCC1(O)Cc2c(O1)c3c(O)cccc3cc2C(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G13 compound treatment 1.003 -0.0115 -0.33 1.023 0.00827 0.24 -0.0617 -0.1496 3558181 ACon1_002341 COc1cc(ccc1O)C2OCC3C(OC(=O)C23)c4ccc5OCOc5c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G14 compound treatment 1.013 -0.00146 -0.04 1.026 0.0113 0.33 0.2058 0.6126 1029487 ACon1_002342 OCC(O)Cc1ccc2OCOc2c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G15 compound treatment 0.994 -0.0205 -0.59 1.01 -0.00473 -0.14 -0.5178 -0.8505 3553721 ACon1_002343 CC(CCCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G16 compound treatment 1.024 0.00954 0.28 1.024 0.00927 0.27 0.3893 1.0 3554667 ACon1_002344 COC(=O)C1(CO)C2Cc3c(C4CC1/C(=C\C)/CN42)n(C)c5ccccc35 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G17 compound treatment 1.022 0.00754 0.22 1.02 0.00527 0.16 0.2647 0.9864 3558054 ACon1_002345 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\CO)/[C@@H]1CC(=O)OCCc3ccc(O)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G18 compound treatment 1.047 0.0325 0.94 1.054 0.0393 1.16 1.4875 0.9946 3553083 ACon1_002346 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5CC(CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)N9C[C@@H](C)CC[C@H]19 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G19 mock treatment 1.022 0.00754 0.22 1.041 0.0263 0.78 0.7037 0.8721 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G20 mock treatment 1.019 0.00454 0.13 1.025 0.0103 0.3 0.3078 0.9298 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G21 compound treatment 1.016 0.00154 0.04 1.019 0.00427 0.13 0.1209 0.9022 3557521 ACon1_002347 COc1cc(/C=C/C(=O)OC2C(O)C(O)C(OC3(CO)OC(CO)C(O)C3O)OC2COC(=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G22 compound treatment 1.035 0.0205 0.59 1.009 -0.00573 -0.17 0.3009 0.4866 3557725 ACon1_002348 OC[C@H]1OC(Oc2cc(O)c3c(=O)c(O)c(oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G23 compound treatment 0.998 -0.0165 -0.48 1.015 2.74E-4 0.01 -0.3313 -0.695 3558206 ACon1_002349 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c6ccc(O)cc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 G24 compound treatment 1.0 -0.0145 -0.42 1.006 -0.00873 -0.26 -0.4785 -0.9729 1011276 ACon1_002350 COc1ccc2CC3N(C)CCc4cc5OCOc5c(c34)-c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H01 compound treatment 1.012 -0.00246 -0.07 0.994 -0.0207 -0.61 -0.4837 -0.784 3616603 ACon1_002351 O[C@H]1[C@H](O)[C@@H](COC(=O)CC(=O)O)O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H02 mock treatment 1.026 0.0115 0.33 1.01 -0.00473 -0.14 0.1375 0.3797 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H03 mock treatment 1.012 -0.00246 -0.07 1.023 0.00827 0.24 0.1226 0.4813 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H04 mock treatment 1.027 0.0125 0.36 1.008 -0.00673 -0.2 0.1162 0.2806 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H05 compound treatment 1.012 -0.00246 -0.07 1.012 -0.00273 -0.08 -0.1073 -0.9981 3616608 ACon1_002352 COC(=O)C1=CC(=C[C@H]2[C@]3(C)C[C@H](OC(=O)[C@H]3CC[C@]21C)c4ccoc4)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H06 mock treatment 1.002 -0.0125 -0.36 1.025 0.0103 0.3 -0.0403 -0.0855 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H07 compound treatment 1.047 0.0325 0.94 1.037 0.0223 0.66 1.1321 0.9846 3616611 ACon1_002353 CC(C)(CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]3C(=CC[C@]4(C(=O)O)C3=CCC5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)C6CC[C@]54C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H08 mock treatment 1.033 0.0185 0.54 1.016 0.00127 0.04 0.4063 0.7549 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H09 compound treatment 1.01 -0.00446 -0.13 1.027 0.0123 0.36 0.1653 0.4291 3616613 ACon1_002354 Oc1ccccc1Cc2c(O)cc(O)c3C(=O)C[C@@H](Oc23)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H10 mock treatment 1.019 0.00454 0.13 1.026 0.0113 0.33 0.3287 0.9173 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H11 compound treatment 1.018 0.00354 0.1 1.021 0.00627 0.19 0.2037 0.961 3558021 ACon1_002355 OCC1OC(C(O)C(O)C1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H12 mock treatment 1.055 0.0405 1.17 1.054 0.0393 1.16 1.6513 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H13 compound treatment 1.019 0.00454 0.13 1.017 0.00227 0.07 0.1405 0.9515 3616618 ACon1_002356 CC(O)CCCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H14 mock treatment 1.014 -4.59E-4 -0.01 1.024 0.00927 0.27 0.1845 0.672 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H15 compound treatment 1.016 0.00154 0.04 1.019 0.00427 0.13 0.1209 0.9022 3616621 ACon1_002357 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@@H]1O)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H16 mock treatment 1.025 0.0105 0.31 1.002 -0.0127 -0.38 -0.0502 -0.1036 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H17 compound treatment 1.05 0.0355 1.03 1.036 0.0213 0.63 1.1726 0.9721 3559631 ACon1_002358 COc1ccc(OC)c(/C=C/C(=O)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H18 mock treatment 1.002 -0.0125 -0.36 1.02 0.00527 0.16 -0.1449 -0.3686 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H19 mock treatment 1.011 -0.00346 -0.1 1.028 0.0133 0.39 0.2067 0.5103 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H20 mock treatment 1.014 -4.59E-4 -0.01 1.032 0.0173 0.51 0.3517 0.6885 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H21 compound treatment 1.013 -0.00146 -0.04 1.005 -0.00973 -0.29 -0.2332 -0.8024 3559126 ACon1_002359 CO[C@]1(OC[C@@H]2[C@H](OC[C@@]21O)c3ccc4OCOc4c3)c5ccc6OCOc6c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H22 mock treatment 1.032 0.0175 0.51 1.036 0.0213 0.63 0.804 0.9944 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H23 compound treatment 1.055 0.0405 1.17 1.067 0.0523 1.55 1.9231 0.9908 3558476 ACon1_002360 COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(O)c(OC)c3)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 H24 mock treatment 1.031 0.0165 0.48 1.027 0.0123 0.36 0.5953 0.9906 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I01 compound treatment 1.005 -0.00946 -0.27 0.998 -0.0167 -0.49 -0.5434 -0.9612 1086162 ACon1_002361 COc1c2ccoc2c(OC)c3oc(=O)ccc13 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I02 compound treatment 1.006 -0.00846 -0.24 1.015 2.74E-4 0.01 -0.1675 -0.6834 3557472 ACon1_002362 COC1=CC(=O)CC(C)C21Oc3cc(OC)cc(O)c3C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I03 compound treatment 1.002 -0.0125 -0.36 0.999 -0.0157 -0.46 -0.5839 -0.9921 3553181 ACon1_002363 CC(=C1CC[C@@]2(CO[C@@H]3C2)C1CC[C@]3(O)C(=O)O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I04 compound treatment 1.1 0.0855 2.48 1.098 0.0833 2.46 3.4927 1.0 3616624 ACon1_002364 COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(C)NC(=O)/C=C/C(=O)O)C(C)c3c[nH]c4ccccc34 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I05 mock treatment 0.999 -0.0155 -0.45 0.996 -0.0187 -0.55 -0.7081 -0.9944 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I06 mock treatment 0.994 -0.0205 -0.59 1.003 -0.0117 -0.35 -0.6641 -0.9674 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I07 compound treatment 0.998 -0.0165 -0.48 1.005 -0.00973 -0.29 -0.5404 -0.9707 3616627 ACon1_002365 C[C@H]1[C@H](O)CCC2=C[C@@H](O)[C@@]3(O[C@@H]3[C@]12C)C(=C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I08 compound treatment 1.022 0.00754 0.22 1.013 -0.00173 -0.05 0.1183 0.5277 3557433 ACon1_002366 C[C@]1([C@H](O)CC(=O)c2coc3C(=O)c4c5CCC(=O)c5ccc41)c23 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I09 compound treatment 0.999 -0.0155 -0.45 1.002 -0.0127 -0.38 -0.5826 -0.9963 3554518 ACon1_002367 CO[C@H]1C(=O)Nc2ccc(CC=C(C)C)c(O)c2[C@]1(O)c3ccc(OC)cc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I10 compound treatment 1.0 -0.0145 -0.42 0.999 -0.0157 -0.46 -0.6249 -0.9986 3616630 ACon1_002368 COc1cc2oc(C)cc(=O)c2c(O)c1CSCC(O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I11 compound treatment 1.003 -0.0115 -0.33 1.001 -0.0137 -0.41 -0.5216 -0.995 3558142 ACon1_002369 OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I12 compound treatment 1.006 -0.00846 -0.24 0.999 -0.0157 -0.46 -0.502 -0.9552 3616631 ACon1_002370 C/C=C/CCCCC(=O)C(C)C(=O)N1CCC=C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I13 compound treatment 0.988 -0.0265 -0.77 0.989 -0.0257 -0.76 -1.0797 -1.0 3554843 ACon1_002371 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)C)c2)c(OC)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I14 compound treatment 1.016 0.00154 0.04 1.013 -0.00173 -0.05 -0.0045 -0.0668 1403 ACon1_002372 COC(=O)C1=CCCN(C)C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I15 compound treatment 0.997 -0.0175 -0.51 1.022 0.00727 0.22 -0.2055 -0.3739 3552057 ACon1_002373 C/C=C/C(O)C(C)CC(C)C(OC(=O)CCC(=O)O)C(C)/C=C/C=C/C=C(\C)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I16 compound treatment 1.013 -0.00146 -0.04 0.988 -0.0267 -0.79 -0.5886 -0.7439 3554656 ACon1_002374 COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C32)C)c4ccoc4)[C@H](OC(=O)C)C5[C@@](C)(C=CC(=O)[C@]15C)C(=O)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I17 compound treatment 1.005 -0.00946 -0.27 1.009 -0.00573 -0.17 -0.3134 -0.9732 3551981 ACon1_002375 C/C(=C\CCC1(C)C2CCC(C2)C1(C)O)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I18 compound treatment 0.999 -0.0155 -0.45 1.016 0.00127 0.04 -0.2899 -0.6453 3616633 ACon1_002376 COc1cc(cc2OCOc21)C3OCC4C(OCC34)c5ccc(OC)c(OC)c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I19 compound treatment 1.0 -0.0145 -0.42 1.014 -7.26E-4 -0.02 -0.3113 -0.7424 3559399 ACon1_002377 OC[C@H]1O[C@@H](O[C@H](C#N)c2ccccc2)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I20 compound treatment 1.028 0.0135 0.39 1.039 0.0243 0.72 0.7848 0.9596 3616634 ACon1_002378 CC(CC(C)OC(=O)/C=C/c1ccc(O)cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I21 mock treatment 1.002 -0.0125 -0.36 1.001 -0.0137 -0.41 -0.5421 -0.9983 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I22 mock treatment 1.0 -0.0145 -0.42 0.992 -0.0227 -0.67 -0.7712 -0.9741 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I23 compound treatment 0.996 -0.0185 -0.53 1.006 -0.00873 -0.26 -0.5604 -0.9442 3559277 ACon1_002379 CC(=O)C12CC(CCC2(C)CCC1O)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 I24 compound treatment 1.011 -0.00346 -0.1 0.997 -0.0177 -0.52 -0.4414 -0.8273 3616636 ACon1_002380 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](OC(=O)/C=C/C3(O)C=CC(=O)C=C3)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J01 compound treatment 0.974 -0.0405 -1.17 0.979 -0.0357 -1.06 -1.5754 -0.9987 3616638 ACon1_002381 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3(C)Oc4cc5occ(c6ccc(O)cc6)c(=O)c5c(O)c4C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J02 mock treatment 1.025 0.0105 0.31 1.027 0.0123 0.36 0.4725 0.9963 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J03 compound treatment 0.983 -0.0315 -0.91 0.99 -0.0247 -0.73 -1.1612 -0.994 3616640 ACon1_002382 CC(=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c3ccccc3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J04 mock treatment 1.018 0.00354 0.1 1.007 -0.00773 -0.23 -0.089 -0.3555 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J05 mock treatment 0.98 -0.0345 -1.0 1.007 -0.00773 -0.23 -0.8672 -0.8471 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J06 mock treatment 1.005 -0.00946 -0.27 0.999 -0.0157 -0.46 -0.5225 -0.9682 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J07 compound treatment 1.018 0.00354 0.1 1.022 0.00727 0.22 0.2246 0.9426 3616641 ACon1_002383 CC1(CO)C(CCC2(C)C1CCC3(C)C2CC=C4C5CC(=C)CCC5(CCC43C)C(=O)OC6OC(CO)C(O)C(O)C6OC7OCC(O)C(O)C7O)OC8OC(CO)C(O)C(O)C8O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J08 mock treatment 1.014 -4.59E-4 -0.01 1.018 0.00327 0.1 0.059 0.6044 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J09 compound treatment 1.007 -0.00746 -0.22 1.0 -0.0147 -0.44 -0.4606 -0.9477 3616643 ACon1_002384 COc1cc(cc2CC(Oc21)C(=C)C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J10 mock treatment 1.009 -0.00546 -0.16 1.008 -0.00673 -0.2 -0.2524 -0.9935 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J11 compound treatment 0.996 -0.0185 -0.53 0.997 -0.0177 -0.52 -0.7486 -1.0 3616644 ACon1_002385 CC(=CCc1cc2[C@@H]3COc4c(O)c(O)ccc4[C@@H]3Oc2cc1O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J12 mock treatment 0.992 -0.0225 -0.65 0.986 -0.0287 -0.85 -1.0605 -0.9913 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J13 compound treatment 1.069 0.0545 1.58 1.06 0.0453 1.34 2.0634 0.9966 3616646 ACon1_002386 O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)c3coc4cc(O)ccc4c3=O)O[C@@H]([C@H]1O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J14 mock treatment 1.025 0.0105 0.31 1.009 -0.00573 -0.17 0.0962 0.2754 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J15 compound treatment 1.01 -0.00446 -0.13 1.02 0.00527 0.16 0.0189 0.0936 3616648 ACon1_002387 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@H](CO)O[C@H]4OC(=O)[C@@]56CCC(C)(C)C[C@H]6C7=CCC8[C@@]9(C)C[C@H](O)[C@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)C(=O)O)[C@@](C)(CO)C9[C@H](O)C[C@@]8(C)[C@]7(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J16 mock treatment 1.001 -0.0135 -0.39 1.009 -0.00573 -0.17 -0.3953 -0.9303 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J17 compound treatment 1.023 0.00854 0.25 1.005 -0.00973 -0.29 -0.0284 -0.075 3557669 ACon1_002388 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](O)C[C@@H](O)[C@]5(C)C4CC[C@]23C)O[C@]61OCC(=C)[C@H](O)[C@@H]6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J18 mock treatment 1.042 0.0275 0.8 1.043 0.0283 0.84 1.1551 0.9997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J19 compound treatment 1.016 0.00154 0.04 1.016 0.00127 0.04 0.0582 0.9964 3559791 ACon1_002389 COc1ccc(cc1)C(=O)O[C@H]2CC(=CC[C@@]3(C)[C@@H](O)C[C@@](O)(C(C)C)[C@H]23)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J20 mock treatment 0.998 -0.0165 -0.48 1.008 -0.00673 -0.2 -0.4777 -0.9249 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J21 mock treatment 1.006 -0.00846 -0.24 1.0 -0.0147 -0.44 -0.4811 -0.963 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J22 mock treatment 0.989 -0.0255 -0.74 0.999 -0.0157 -0.46 -0.8501 -0.9753 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J23 mock treatment 1.022 0.00754 0.22 1.022 0.00727 0.22 0.3065 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 J24 mock treatment 1.018 0.00354 0.1 0.994 -0.0207 -0.61 -0.3608 -0.5807 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K01 compound treatment 1.009 -0.00546 -0.16 1.015 2.74E-4 0.01 -0.1061 -0.67 3554199 ACon1_002390 CCc1c(O)cc(O)c2C(=O)C[C@@H](C)Oc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K02 compound treatment 1.088 0.0735 2.13 1.041 0.0263 0.78 2.0553 0.9066 3559924 ACon1_002391 CC1CCC(=C)/C(=C\C=C/CC1(C)CCC2=CC(=O)OC2O)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K03 compound treatment 1.012 -0.00246 -0.07 1.009 -0.00573 -0.17 -0.1701 -0.926 3558269 ACon1_002392 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K04 compound treatment 1.021 0.00654 0.19 1.025 0.0103 0.3 0.3487 0.9742 3559641 ACon1_002393 O/C(=C\C(=O)/C=C/c1ccccc1)/C=C/c2ccccc2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K05 compound treatment 1.014 -4.59E-4 -0.01 1.008 -0.00673 -0.2 -0.15 -0.7527 3554959 ACon1_002394 COc1cc(O)c(C(=O)C)c(CC(=O)O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K06 compound treatment 1.017 0.00254 0.07 1.01 -0.00473 -0.14 -0.0468 -0.2961 3616650 ACon1_002395 COc1cc(oc(=O)c1C)/C(=C/C(C)O)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K07 mock treatment 1.015 5.41E-4 0.02 1.033 0.0183 0.54 0.3931 0.7273 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K08 mock treatment 1.014 -4.59E-4 -0.01 1.027 0.0123 0.36 0.2472 0.6808 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K09 compound treatment 1.014 -4.59E-4 -0.01 1.017 0.00227 0.07 0.0381 0.5566 3559867 ACon1_002396 COc1c(O)cc2CCNC3Cc4ccccc4-c1c32 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K10 compound treatment 1.002 -0.0125 -0.36 1.011 -0.00373 -0.11 -0.333 -0.8828 3616653 ACon1_002397 CC(CCO)/C=C(/C)\C=C\C1=CC2=CC(=O)C(C)(O)C(O)C2=CO1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K11 compound treatment 1.004 -0.0105 -0.3 1.014 -7.26E-4 -0.02 -0.2294 -0.7553 3558744 ACon1_002398 COc1cc(/C=C/CO)cc(OC)c1OC\C=C(/C)\CCC=C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K12 compound treatment 1.01 -0.00446 -0.13 1.009 -0.00573 -0.17 -0.211 -0.9911 3616654 ACon1_002399 CC1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)C=CC2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K13 compound treatment 1.015 5.41E-4 0.02 1.0 -0.0147 -0.44 -0.2968 -0.6812 3557992 ACon1_002400 C[C@@H]1C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(COC(=O)C)[C@@H](C[C@@H]3[C@@H](OC(=O)C)[C@]12OC3(C)C)OC(=O)c4ccccc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K14 compound treatment 0.998 -0.0165 -0.48 1.006 -0.00873 -0.26 -0.5195 -0.9584 2732 ACon1_002401 Cc1cc(=O)oc2cc(O)ccc12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K15 mock treatment 1.021 0.00654 0.19 0.998 -0.0167 -0.49 -0.2157 -0.4074 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K16 mock treatment 0.99 -0.0245 -0.71 1.018 0.00327 0.1 -0.4324 -0.6049 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K17 compound treatment 1.029 0.0145 0.42 1.015 2.74E-4 0.01 0.3035 0.7206 3554976 ACon1_002402 COc1cc(O)c(Oc2cc(C)cc(O)c2C(=O)O)c(CO)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K18 compound treatment 1.026 0.0115 0.33 1.017 0.00227 0.07 0.2839 0.8327 3616656 ACon1_002403 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1[C@@H](C[C@]3(C)OC(=O)C)OC(=O)/C=C/c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K19 compound treatment 1.017 0.00254 0.07 1.017 0.00227 0.07 0.0996 0.999 3559928 ACon1_002404 COC1OC(=O)C(=C1)CCC2(C)C/C=C\C=C(\C(=O)O)/C(=C)CCC2C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K20 compound treatment 1.035 0.0205 0.59 1.024 0.00927 0.27 0.6145 0.9382 3558737 ACon1_002405 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K21 compound treatment 1.005 -0.00946 -0.27 1.007 -0.00773 -0.23 -0.3552 -0.9959 3557421 ACon1_002406 Cc1cc(O)cc(Oc2cc(C)cc(O)c2O)c1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K22 compound treatment 1.013 -0.00146 -0.04 1.011 -0.00373 -0.11 -0.1078 -0.9134 3616657 ACon1_002407 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC6OC(CO)C(O)C(O)C6O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K23 mock treatment 1.014 -4.59E-4 -0.01 0.989 -0.0257 -0.76 -0.5472 -0.7194 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 K24 mock treatment 0.994 -0.0205 -0.59 1.003 -0.0117 -0.35 -0.6641 -0.9674 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L01 compound treatment 0.678 -0.336 -9.74 0.719 -0.296 -8.74 -13.0727 -0.9985 3616659 ACon1_002408 C/C(=C\CCC(=C)C1(O)CCC(=CC1)C)/C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L02 mock treatment 1.017 0.00254 0.07 1.01 -0.00473 -0.14 -0.0468 -0.2961 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L03 compound treatment 1.014 -4.59E-4 -0.01 0.997 -0.0177 -0.52 -0.38 -0.7248 3616661 ACon1_002409 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc3O[C@@H]([C@@H](Oc3c2)C(=O)O)c4ccc(O)c(O)c4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L04 mock treatment 1.021 0.00654 0.19 1.021 0.00627 0.19 0.2651 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L05 compound treatment 1.01 -0.00446 -0.13 1.027 0.0123 0.36 0.1653 0.4291 3616663 ACon1_002410 COC(=O)C1CC(=O)C[C@@H]2[C@@]1(C)CC[C@@H]3C(=O)O[C@@H](C[C@]32C)c4ccoc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L06 mock treatment 1.023 0.00854 0.25 1.025 0.0103 0.3 0.3897 0.9948 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L07 mock treatment 1.016 0.00154 0.04 1.019 0.00427 0.13 0.1209 0.9022 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L08 mock treatment 1.006 -0.00846 -0.24 1.024 0.00927 0.27 0.0207 0.0562 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L09 compound treatment 0.97 -0.0445 -1.29 0.974 -0.0407 -1.2 -1.7619 -0.9994 3616665 ACon1_002411 C/C(=C\CCC(C)(OC1OCC(O)C(O)C1OC(=O)\C(=C\CCC(C)(O)C=C)\C)C=C)/C(=O)OC2CC3(C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(=O)OC%10OCC(OC%11OC(CO)C(O)C(OC%12OC(CO)C(OC%13OC(CO)C(O)C(O)C%13O)C(O)C%12O)C%11O)C(O)C%10O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L10 mock treatment 1.063 0.0485 1.41 1.033 0.0183 0.54 1.3761 0.9137 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L11 compound treatment 1.004 -0.0105 -0.3 1.006 -0.00873 -0.26 -0.3966 -0.9968 3616667 ACon1_002412 CC1OC(OC2C(O)C(O)C(C)OC2OC3(C)CC(OC4OC(CO)C(O)C(OC(=O)C)C4O)C5C(CCC6C(C)(C)CCCC65C)O3)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L12 mock treatment 1.015 5.41E-4 0.02 0.996 -0.0187 -0.55 -0.3804 -0.6868 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L13 compound treatment 1.033 0.0185 0.54 1.018 0.00327 0.1 0.4481 0.8213 3558283 ACon1_002413 C[C@H]1[C@H]2[C@H](CC3C4C[C@@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)C4CC[C@]23C)O[C@@]%111CCC(C)CO%11 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L14 mock treatment 0.986 -0.0285 -0.82 1.01 -0.00473 -0.14 -0.6816 -0.8154 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L15 mock treatment 1.024 0.00954 0.28 1.015 2.74E-4 0.01 0.2011 0.7275 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L16 mock treatment 1.021 0.00654 0.19 1.003 -0.0117 -0.35 -0.1112 -0.2815 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L17 compound treatment 1.048 0.0335 0.97 1.034 0.0193 0.57 1.0898 0.9677 3559686 ACon1_002414 COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc3ccc(O)c(OC)c3)cc1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L18 mock treatment 1.026 0.0115 0.33 1.007 -0.00773 -0.23 0.0748 0.1848 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L19 compound treatment 1.067 0.0525 1.52 1.06 0.0453 1.34 2.0225 0.998 3557479 ACon1_002415 CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccc(O)c(O)c3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L20 mock treatment 1.025 0.0105 0.31 1.018 0.00327 0.1 0.2843 0.8878 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L21 compound treatment 1.005 -0.00946 -0.27 1.004 -0.0107 -0.32 -0.4179 -0.9973 3558013 ACon1_002416 CC(=O)O[C@H]1CC(C)(C)CC2[C@@]31CO[C@]42CCC5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]4(C)C[C@H]3O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L22 mock treatment 1.061 0.0465 1.35 1.045 0.0303 0.9 1.586 0.9802 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L23 mock treatment 1.014 -4.59E-4 -0.01 1.022 0.00727 0.22 0.1427 0.6621 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 L24 mock treatment 1.02 0.00554 0.16 1.005 -0.00973 -0.29 -0.0899 -0.2729 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M01 compound treatment 0.996 -0.0185 -0.53 0.997 -0.0177 -0.52 -0.7486 -1.0 3557425 ACon1_002417 C/C=C(\C)/C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M02 compound treatment 0.983 -0.0315 -0.91 0.995 -0.0197 -0.58 -1.0566 -0.9768 3557333 ACon1_002418 Cc1cc2cc(O)cc(O)c2c(=O)o1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M03 compound treatment 0.997 -0.0175 -0.51 0.987 -0.0277 -0.82 -0.9372 -0.973 3559679 ACon1_002419 COC(=O)[C@@H]1C[C@@H](O)C[C@]2(C)[C@@H]1CC[C@]3(C[C@H]4CC[C@H]32)[C@@H](O)C4=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M04 compound treatment 0.985 -0.0295 -0.85 1.003 -0.0117 -0.35 -0.8484 -0.9213 1110474 ACon1_002420 COc1ccc2c(=O)c(O)c(oc2c1)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M05 compound treatment 0.998 -0.0165 -0.48 0.981 -0.0337 -1.0 -1.0421 -0.9429 3553164 ACon1_002421 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@H](OC[C@H]34)c5ccc6OCOc6c5 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M06 compound treatment 0.998 -0.0165 -0.48 1.002 -0.0127 -0.38 -0.6031 -0.9931 3557719 ACon1_002422 CCCCC/C=C/C=C/C(O)CCCCCCCC(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M07 compound treatment 0.997 -0.0175 -0.51 0.999 -0.0157 -0.46 -0.6863 -0.9991 3616668 ACon1_002423 CO[C@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(=C/C=C\[C@H](OC)[C@@H](OC(=O)N)/C(=C/[C@H](C)[C@H]1O)/C)/C)C2=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M08 compound treatment 0.999 -0.0155 -0.45 1.016 0.00127 0.04 -0.2899 -0.6453 3559706 ACon1_002424 COc1cc(O)c2c(=O)cc(oc2c1)c3cc(OC)c(OC)c(O)c3OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M09 mock treatment 0.994 -0.0205 -0.59 1.0 -0.0147 -0.44 -0.7268 -0.9885 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M10 mock treatment 0.97 -0.0445 -1.29 0.98 -0.0347 -1.03 -1.6364 -0.9937 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M11 compound treatment 0.981 -0.0335 -0.97 0.999 -0.0157 -0.46 -1.014 -0.9434 3558746 ACon1_002425 COc1cc(/C=C/CO)ccc1OC\C=C(/C)\CCC=C(C)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M12 compound treatment 1.002 -0.0125 -0.36 0.982 -0.0327 -0.97 -0.9393 -0.9096 3616671 ACon1_002426 COc1c(O)cc2C(Oc3cc(C)oc(=O)c3)C(C)OC(=O)c2c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M13 mock treatment 0.985 -0.0295 -0.85 0.994 -0.0207 -0.61 -1.0366 -0.9868 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M14 mock treatment 0.997 -0.0175 -0.51 1.002 -0.0127 -0.38 -0.6236 -0.9894 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M15 compound treatment 0.985 -0.0295 -0.85 0.984 -0.0307 -0.91 -1.2456 -0.9995 3554561 ACon1_002427 COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M16 compound treatment 1.019 0.00454 0.13 1.005 -0.00973 -0.29 -0.1103 -0.349 3616673 ACon1_002428 COC(=O)[C@]1(O)[C@H](O)C(=O)C(=C1/C=C/C)Cl 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M17 compound treatment 1.0 -0.0145 -0.42 1.01 -0.00473 -0.14 -0.3949 -0.8946 3554697 ACon1_002429 COC(=O)c1c(O)cc(C)cc1Oc2c(O)cc(OC)cc2CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M18 compound treatment 1.029 0.0145 0.42 1.028 0.0133 0.39 0.5753 0.9994 3616676 ACon1_002430 COc1cc(O)cc(C)c1C(=O)OC2C(CO)OC(C2OC(=O)C)n3ccc(=O)[nH]c3=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M19 compound treatment 0.987 -0.0275 -0.8 0.981 -0.0337 -1.0 -1.2674 -0.9937 3616679 ACon1_002431 COC(CC(c1c(O)cc2cc(C)oc(=O)c2c1O)c3c(O)cc4cc(C)oc(=O)c4c3O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M20 compound treatment 0.987 -0.0275 -0.8 0.985 -0.0297 -0.88 -1.1838 -0.9988 3616682 ACon1_002432 OC[C@H]1O[C@@H](Oc2c(O)cccc2COC(=O)C3(O)C4C5C6C7C5C(C7C(O)(C(=O)OCc8cccc(O)c8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)C(=O)C64)C3=O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M21 compound treatment 0.982 -0.0325 -0.94 0.998 -0.0167 -0.49 -1.0144 -0.955 3552105 ACon1_002433 C/C=C/C1OC2=C(C(O)C1O)C(=O)OC2=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M22 compound treatment 0.995 -0.0195 -0.56 1.001 -0.0137 -0.41 -0.6854 -0.987 3616684 ACon1_002434 CC1CCC2(CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(=O)C6O)C(C)(C)C5CCC43C)C2C1C)C(=O)OC7OC(CO)C(O)C(O)C7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M23 compound treatment 0.979 -0.0355 -1.03 0.987 -0.0277 -0.82 -1.3058 -0.9938 3559395 ACon1_002435 C/C=C\1/[C@H](CC(=O)OCCc2ccc(O)cc2)C(=CO[C@H]1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 M24 compound treatment 1.014 -4.59E-4 -0.01 0.994 -0.0207 -0.61 -0.4427 -0.7223 3559231 ACon1_002436 C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]4[C@H]2C=CO[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](OC(=O)/C=C/c6ccccc6)[C@H](OC(=O)C)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N01 compound treatment 0.994 -0.0205 -0.59 0.99 -0.0247 -0.73 -0.9359 -0.9946 2090630 ACon1_002437 CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)cc5)C(OC6OC(C)C(O)C(O)C6O)C(O)C2O)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N02 mock treatment 0.983 -0.0315 -0.91 0.969 -0.0457 -1.35 -1.6002 -0.9815 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N03 compound treatment 0.994 -0.0205 -0.59 0.99 -0.0247 -0.73 -0.9359 -0.9946 3616685 ACon1_002438 CC(=CCc1cc2C(=O)[C@H](O)[C@H](Oc2c(CC=C(C)C)c1O)c3ccc(O)cc3)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N04 mock treatment 1.059 0.0445 1.29 1.054 0.0393 1.16 1.7332 0.9986 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N05 compound treatment 0.981 -0.0335 -0.97 0.986 -0.0287 -0.85 -1.2857 -0.9978 3616688 ACon1_002439 C[C@]12C[C@H](OC(=O)[C@H]2CC[C@]3(C)[C@H]1CCC=C3C(=O)O)c4ccoc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N06 mock treatment 1.003 -0.0115 -0.33 1.007 -0.00773 -0.23 -0.3962 -0.9834 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N07 compound treatment 1.034 0.0195 0.57 1.032 0.0173 0.51 0.7613 0.9987 3616690 ACon1_002440 COc1cc2C[C@H]3COC(=O)[C@@H]3Cc4cc5OCOc5cc4-c2c(OC)c1OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N08 mock treatment 1.013 -0.00146 -0.04 1.023 0.00827 0.24 0.1431 0.5764 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N09 mock treatment 0.994 -0.0205 -0.59 1.0 -0.0147 -0.44 -0.7268 -0.9885 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N10 mock treatment 0.974 -0.0405 -1.17 0.994 -0.0207 -0.61 -1.2618 -0.9543 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N11 compound treatment 1.015 5.41E-4 0.02 1.016 0.00127 0.04 0.0377 0.9245 3616692 ACon1_002441 CO[C@@H]1[C@@H](O)[C@@H](O[C@H]2CC[C@]3(C)C4C[C@@H]5C(=C)[C@H](CC[C@]5(O)[C@@H]4CC[C@@H]3C2)C6=CC(=O)OC6)O[C@@H](C)[C@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N12 mock treatment 1.039 0.0245 0.71 1.058 0.0433 1.28 1.4073 0.9615 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N13 mock treatment 0.997 -0.0175 -0.51 0.995 -0.0197 -0.58 -0.7699 -0.9975 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N14 mock treatment 0.994 -0.0205 -0.59 0.989 -0.0257 -0.76 -0.9568 -0.9924 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N15 compound treatment 0.995 -0.0195 -0.56 0.996 -0.0187 -0.55 -0.79 -1.0 3616695 ACon1_002442 COc1cc2nc3occc3c(OC)c2cc1OCC(O)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N16 mock treatment 0.995 -0.0195 -0.56 1.001 -0.0137 -0.41 -0.6854 -0.987 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N17 compound treatment 1.034 0.0195 0.57 1.041 0.0263 0.78 0.9495 0.9879 3559633 ACon1_002443 C/C(=C/CCC(C)(O)C=C)/CCC(=O)C(C)(C)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N18 mock treatment 1.022 0.00754 0.22 1.023 0.00827 0.24 0.3274 0.9984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N19 compound treatment 1.006 -0.00846 -0.24 1.007 -0.00773 -0.23 -0.3347 -0.9994 3558393 ACon1_002444 CC(C)C1CCC(=CCCC2(C)OC2C1OC3OC(COC(=O)C)C(O)C(O)C3O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N20 mock treatment 1.013 -0.00146 -0.04 0.985 -0.0297 -0.88 -0.6513 -0.7402 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N21 compound treatment 1.021 0.00654 0.19 1.002 -0.0127 -0.38 -0.1321 -0.3136 3558493 ACon1_002445 COc1cc(CC2COC(C2COC(=O)/C=C/c3ccc(O)cc3)c4ccc(O)c(OC)c4)ccc1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N22 mock treatment 0.998 -0.0165 -0.48 0.99 -0.0247 -0.73 -0.854 -0.9785 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N23 mock treatment 1.034 0.0195 0.57 1.022 0.00727 0.22 0.5522 0.9122 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 N24 mock treatment 0.992 -0.0225 -0.65 0.994 -0.0207 -0.61 -0.8932 -0.9996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O01 compound treatment 1.015 5.41E-4 0.02 1.0 -0.0147 -0.44 -0.2968 -0.6812 3557529 ACon1_002446 COc1cc(OC)c2C(=O)CC(Oc2c1O)c3ccccc3 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O02 compound treatment 1.022 0.00754 0.22 1.002 -0.0127 -0.38 -0.1116 -0.2566 3559907 ACon1_002447 CC1(C2CC3CC21)C3(C)CCC(O)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O03 compound treatment 1.013 -0.00146 -0.04 1.003 -0.0117 -0.35 -0.275 -0.7875 3559525 ACon1_002448 O[C@]12CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC(=O)C1=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O04 compound treatment 1.053 0.0385 1.12 1.059 0.0443 1.31 1.7149 0.9969 3559658 ACon1_002449 COc1ccc(CCC(=O)c2ccc(OC)cc2O)cc1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O05 compound treatment 1.009 -0.00546 -0.16 1.006 -0.00873 -0.26 -0.2942 -0.9724 360 ACon1_002450 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O06 compound treatment 1.099 0.0845 2.45 1.104 0.0893 2.64 3.5977 0.9993 3555974 ACon1_002451 OCCCCCCC(C(=O)O)C(=C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O07 compound treatment 1.018 0.00354 0.1 1.004 -0.0107 -0.32 -0.1517 -0.4552 3559619 ACon1_002452 OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)C=C(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O08 compound treatment 1.035 0.0205 0.59 1.022 0.00727 0.22 0.5727 0.9054 3557500 ACon1_002453 C[C@H]1[C@H]2[C@H](OC1=O)/C=C(\C)/CC/C=C(\CO)/C[C@H]2O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O09 compound treatment 1.017 0.00254 0.07 1.003 -0.0117 -0.35 -0.1931 -0.5449 3553872 ACon1_002454 CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@]5(C)[C@@H](OC(=O)C=C54)c6ccoc6 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O10 compound treatment 1.014 -4.59E-4 -0.01 1.001 -0.0137 -0.41 -0.2964 -0.7299 3616698 ACon1_002455 CC1CCC(O)C2C=CC(C)(O)C(C)(C12)C(=O)CCO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O11 mock treatment 1.018 0.00354 0.1 0.999 -0.0157 -0.46 -0.2563 -0.5382 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O12 mock treatment 1.011 -0.00346 -0.1 1.014 -7.26E-4 -0.02 -0.086 -0.8396 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O13 compound treatment 1.015 5.41E-4 0.02 1.016 0.00127 0.04 0.0377 0.9245 3554856 ACon1_002456 COc1cc(C=C)cc2c(=O)oc3c(cc(OC)c4c(O)ccc([C@@H]5O[C@H](C)[C@H](O)[C@@H]([C@H]5O)N(C)C)c34)c12 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O14 compound treatment 1.005 -0.00946 -0.27 1.009 -0.00573 -0.17 -0.3134 -0.9732 3559702 ACon1_002457 O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O15 compound treatment 1.023 0.00854 0.25 1.013 -0.00173 -0.05 0.1388 0.5496 3553713 ACon1_002458 CC(CCCCC(O)C(CO)C(=O)O)C/C(=C/C(=C/C(=O)O)/C)/C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O16 compound treatment 1.021 0.00654 0.19 1.019 0.00427 0.13 0.2233 0.9806 3553071 ACon1_002459 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C(C)C)C[C@]12CO 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O17 compound treatment 1.036 0.0215 0.62 1.017 0.00227 0.07 0.4887 0.7788 3553691 ACon1_002460 CC(CC(=O)N)OC(=O)c1cc(Cl)cc(O)c1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O18 compound treatment 1.029 0.0145 0.42 1.024 0.00927 0.27 0.4917 0.9784 3616699 ACon1_002461 CC(=O)O[C@@]1(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]3[C@@H]1C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C3C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O19 compound treatment 1.011 -0.00346 -0.1 1.003 -0.0117 -0.35 -0.316 -0.8756 3559916 ACon1_002462 CC(C)(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3C(=O)[C@H](O)[C@H](Oc13)c4ccc(O)cc4 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O20 compound treatment 1.025 0.0105 0.31 1.013 -0.00173 -0.05 0.1798 0.5808 1017609 ACon1_002463 CC(=CCc1c(O)c2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O21 compound treatment 1.019 0.00454 0.13 1.0 -0.0147 -0.44 -0.2149 -0.4724 3554292 ACon1_002464 CCCCCCCC(O)C(O)C1CC(=CC(=O)O1)OC 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O22 compound treatment 1.03 0.0155 0.45 1.023 0.00827 0.24 0.4912 0.9589 3558536 ACon1_002465 CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(CCC54C(=O)O)C(=O)OC7OC(CO)C(O)C(O)C7O)C2(C)C)C(O)C(O)C1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O23 compound treatment 1.02 0.00554 0.16 1.007 -0.00773 -0.23 -0.0481 -0.1721 3616706 ACon1_002466 CC1CC(=O)c2cc(O)c(O)cc2C1 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 O24 compound treatment 1.007 -0.00746 -0.22 1.016 0.00127 0.04 -0.1261 -0.5751 3615046 ACon1_002467 COC1OC2C(N(C)CCc3cc4OCOc4cc23)c5ccc6OCOc6c15 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P01 compound treatment 1.006 -0.00846 -0.24 1.007 -0.00773 -0.23 -0.3347 -0.9994 3616709 ACon1_002468 C[C@@]1(CCC2C(=CCC3[C@@](C)(CCC[C@]23C)C(=O)O)C1)C=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P02 mock treatment 1.054 0.0395 1.15 1.038 0.0233 0.69 1.2963 0.9703 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P03 compound treatment 1.017 0.00254 0.07 1.012 -0.00273 -0.08 -0.005 -0.0454 3616713 ACon1_002469 COC(=O)[C@@H](O)[C@@H]1[C@@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C[C@]54O[C@@H]6C([C@@]2(O)C[C@@]1(C)[C@@H]6O)[C@@]35O)c7ccoc7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P04 mock treatment 1.009 -0.00546 -0.16 1.012 -0.00273 -0.08 -0.1688 -0.9511 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P05 compound treatment 1.039 0.0245 0.71 1.029 0.0143 0.42 0.801 0.969 3616715 ACon1_002470 OC[C@H]1O[C@@H](Oc2ccc(cc2)c3coc4c([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P06 mock treatment 1.088 0.0735 2.13 1.086 0.0713 2.11 2.9961 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P07 compound treatment 1.006 -0.00846 -0.24 1.008 -0.00673 -0.2 -0.3138 -0.9946 3616718 ACon1_002471 C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P08 mock treatment 1.014 -4.59E-4 -0.01 1.006 -0.00873 -0.26 -0.1918 -0.7425 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P09 compound treatment 1.115 0.101 2.91 1.129 0.114 3.38 4.448 0.9973 3616720 ACon1_002472 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P10 mock treatment 1.127 0.113 3.26 1.148 0.133 3.94 5.0909 0.9956 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P11 mock treatment 1.009 -0.00546 -0.16 1.013 -0.00173 -0.05 -0.1479 -0.8901 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P12 mock treatment 1.013 -0.00146 -0.04 1.023 0.00827 0.24 0.1431 0.5764 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P13 compound treatment 1.017 0.00254 0.07 1.029 0.0143 0.42 0.3505 0.8181 3616724 ACon1_002473 COc1cc2nc3occc3c(OC)c2cc1OCC(OC(=O)C)C(C)(C)OC(=O)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P14 mock treatment 1.02 0.00554 0.16 1.013 -0.00173 -0.05 0.0774 0.4596 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P15 compound treatment 1.026 0.0115 0.33 1.039 0.0243 0.72 0.7438 0.9395 3616725 ACon1_002474 CCCCCc1cc(OC)c2CC(O)C(C)(C)Oc2c1C(=O)O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P16 mock treatment 0.997 -0.0175 -0.51 1.028 0.0133 0.39 -0.08 -0.125 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P17 compound treatment 1.054 0.0395 1.15 1.06 0.0453 1.34 1.7563 0.997 1001668 ACon1_002475 CC(=CCCC1(C)Oc2c(C)cc3c4ccccc4[nH]c3c2C=C1)C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P18 mock treatment 1.05 0.0355 1.03 1.02 0.00527 0.16 0.8381 0.805 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P19 compound treatment 0.997 -0.0175 -0.51 0.996 -0.0187 -0.55 -0.749 -0.999 3554138 ACon1_002476 CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](O)[C@@H](C)C[C@]2(O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@H](O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)CC)C1=C 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P20 mock treatment 1.029 0.0145 0.42 1.033 0.0183 0.54 0.6798 0.9924 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P21 compound treatment 1.073 0.0585 1.7 1.068 0.0533 1.58 2.3126 0.9993 3559753 ACon1_002477 COC1=CC2(CCN(C)[C@@H]3Cc4cc(OC)c(OC)cc42)C3=CC1=O 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P22 mock treatment 1.036 0.0215 0.62 1.012 -0.00273 -0.08 0.3841 0.6107 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P23 mock treatment 1.041 0.0265 0.77 1.044 0.0293 0.87 1.1555 0.9982 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.2297 P24 mock treatment 1.012 -0.00246 -0.07 1.02 0.00527 0.16 0.0599 0.3495 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A01 mock treatment 1.008 -0.00105 -0.03 0.989 -0.0121 -0.36 -0.2753 -0.7642 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A02 mock treatment 1.004 -0.00505 -0.15 0.994 -0.00714 -0.21 -0.2527 -0.9839 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A03 mock treatment 0.995 -0.014 -0.41 0.989 -0.0121 -0.36 -0.5415 -0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A04 mock treatment 1.007 -0.00205 -0.06 1.0 -0.00114 -0.03 -0.0658 -0.9641 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A05 mock treatment 1.013 0.00395 0.11 0.993 -0.00814 -0.24 -0.0893 -0.3351 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A06 mock treatment 0.995 -0.014 -0.41 0.998 -0.00314 -0.09 -0.3534 -0.8467 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A07 mock treatment 1.007 -0.00205 -0.06 0.992 -0.00914 -0.27 -0.2331 -0.8423 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A08 mock treatment 0.987 -0.022 -0.64 0.978 -0.0231 -0.68 -0.9353 -0.9994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A09 mock treatment 1.011 0.00195 0.06 0.987 -0.0141 -0.42 -0.2557 -0.6061 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A10 mock treatment 1.005 -0.00405 -0.12 0.992 -0.00914 -0.27 -0.274 -0.9302 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A11 mock treatment 1.007 -0.00205 -0.06 0.985 -0.0161 -0.48 -0.3794 -0.789 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A12 mock treatment 0.988 -0.021 -0.61 0.983 -0.0181 -0.54 -0.8103 -0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A13 mock treatment 1.009 -4.95E-5 0.0 0.992 -0.00914 -0.27 -0.1921 -0.7108 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A14 mock treatment 0.987 -0.022 -0.64 0.972 -0.0291 -0.86 -1.0608 -0.9891 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A15 mock treatment 0.998 -0.011 -0.32 0.978 -0.0231 -0.68 -0.7101 -0.9401 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A16 mock treatment 1.005 -0.00405 -0.12 0.985 -0.0161 -0.48 -0.4204 -0.8554 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A17 mock treatment 1.016 0.00695 0.2 1.002 8.59E-4 0.03 0.1603 0.7901 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A18 mock treatment 1.004 -0.00505 -0.15 0.996 -0.00514 -0.15 -0.2109 -0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A19 mock treatment 1.005 -0.00405 -0.12 0.999 -0.00214 -0.06 -0.1277 -0.9581 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A20 mock treatment 1.007 -0.00205 -0.06 0.986 -0.0151 -0.45 -0.3585 -0.7939 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A21 mock treatment 1.016 0.00695 0.2 0.993 -0.00814 -0.24 -0.0279 -0.0888 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A22 mock treatment 1.026 0.017 0.49 1.013 0.0119 0.35 0.5951 0.9864 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A23 mock treatment 1.023 0.014 0.4 1.009 0.00786 0.23 0.45 0.9655 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base A24 mock treatment 1.014 0.00495 0.14 1.008 0.00686 0.2 0.2448 0.9856 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B01 mock treatment 0.984 -0.025 -0.73 0.98 -0.0211 -0.63 -0.9549 -0.9972 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B02 mock treatment 0.999 -0.01 -0.29 0.995 -0.00614 -0.18 -0.3342 -0.9742 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B03 mock treatment 1.006 -0.00305 -0.09 0.996 -0.00514 -0.15 -0.1699 -0.9666 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B04 mock treatment 0.996 -0.013 -0.38 0.981 -0.0201 -0.6 -0.6883 -0.9759 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B05 mock treatment 0.994 -0.015 -0.44 0.988 -0.0131 -0.39 -0.5829 -0.9984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B06 mock treatment 1.001 -0.00805 -0.23 0.982 -0.0191 -0.57 -0.565 -0.9231 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B07 mock treatment 0.987 -0.022 -0.64 0.978 -0.0231 -0.68 -0.9353 -0.9994 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B08 mock treatment 0.998 -0.011 -0.32 0.985 -0.0161 -0.48 -0.5637 -0.9811 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B09 mock treatment 1.008 -0.00105 -0.03 0.999 -0.00214 -0.06 -0.0662 -0.9435 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B10 mock treatment 0.999 -0.01 -0.29 0.985 -0.0161 -0.48 -0.5432 -0.9719 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B11 mock treatment 0.995 -0.014 -0.41 0.991 -0.0101 -0.3 -0.4997 -0.9887 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B12 mock treatment 1.01 9.51E-4 0.03 1.002 8.59E-4 0.03 0.0374 0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B13 mock treatment 0.977 -0.032 -0.93 0.969 -0.0321 -0.95 -1.3283 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B14 mock treatment 0.984 -0.025 -0.73 0.977 -0.0241 -0.71 -1.0177 -1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B15 mock treatment 0.989 -0.02 -0.58 0.976 -0.0251 -0.74 -0.9362 -0.9925 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B16 mock treatment 1.002 -0.00705 -0.2 0.986 -0.0151 -0.45 -0.4609 -0.9368 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B17 mock treatment 0.995 -0.014 -0.41 0.991 -0.0101 -0.3 -0.4997 -0.9887 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B18 mock treatment 1.02 0.011 0.32 0.995 -0.00614 -0.18 0.0959 0.2623 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B19 mock treatment 1.007 -0.00205 -0.06 1.001 -1.41E-4 0.0 -0.0449 -0.7548 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B20 mock treatment 1.009 -4.95E-5 0.0 0.994 -0.00714 -0.21 -0.1503 -0.7119 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B21 mock treatment 1.007 -0.00205 -0.06 0.994 -0.00714 -0.21 -0.1913 -0.8721 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B22 mock treatment 1.005 -0.00405 -0.12 0.992 -0.00914 -0.27 -0.274 -0.9302 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B23 mock treatment 1.006 -0.00305 -0.09 1.006 0.00486 0.14 0.0391 0.2321 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base B24 mock treatment 1.015 0.00595 0.17 0.999 -0.00214 -0.06 0.0771 0.42 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C01 mock treatment 1.03 0.021 0.61 1.023 0.0219 0.65 0.886 0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C02 mock treatment 1.012 0.00295 0.09 1.006 0.00486 0.14 0.162 0.9692 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C03 mock treatment 1.018 0.00895 0.26 1.014 0.0129 0.38 0.4521 0.9826 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C04 mock treatment 1.022 0.013 0.38 1.01 0.00886 0.26 0.4504 0.9846 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C05 mock treatment 1.018 0.00895 0.26 1.008 0.00686 0.2 0.3267 0.9926 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C06 mock treatment 1.009 -4.95E-5 0.0 1.006 0.00486 0.14 0.1006 0.7 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C07 mock treatment 1.022 0.013 0.38 1.016 0.0149 0.44 0.5759 0.9969 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C08 mock treatment 1.006 -0.00305 -0.09 1.004 0.00286 0.08 -0.0027 -0.0218 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C09 mock treatment 1.028 0.019 0.55 1.029 0.0279 0.82 0.9705 0.9805 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C10 mock treatment 1.023 0.014 0.4 1.015 0.0139 0.41 0.5754 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C11 mock treatment 1.01 9.51E-4 0.03 1.009 0.00786 0.23 0.1838 0.7854 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C12 mock treatment 1.02 0.011 0.32 1.028 0.0269 0.79 0.7858 0.9189 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C13 mock treatment 1.019 0.00995 0.29 1.017 0.0159 0.47 0.5353 0.9727 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C14 mock treatment 1.0 -0.00905 -0.26 0.996 -0.00514 -0.15 -0.2928 -0.9664 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C15 mock treatment 1.025 0.016 0.46 1.015 0.0139 0.41 0.6164 0.9982 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C16 mock treatment 1.004 -0.00505 -0.15 0.999 -0.00214 -0.06 -0.1482 -0.9298 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C17 mock treatment 1.027 0.018 0.52 1.018 0.0169 0.5 0.7201 0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C18 mock treatment 1.026 0.017 0.49 1.014 0.0129 0.38 0.616 0.992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C19 mock treatment 1.039 0.03 0.87 1.034 0.0329 0.97 1.3003 0.9984 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C20 mock treatment 1.039 0.03 0.87 1.037 0.0359 1.06 1.363 0.995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C21 mock treatment 1.025 0.016 0.46 1.02 0.0189 0.56 0.7209 0.9956 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C22 mock treatment 1.027 0.018 0.52 1.022 0.0209 0.62 0.8037 0.9964 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C23 mock treatment 1.018 0.00895 0.26 1.011 0.00986 0.29 0.3894 0.9983 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base C24 mock treatment 1.049 0.04 1.16 1.04 0.0389 1.15 1.6305 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D01 mock treatment 1.016 0.00695 0.2 1.004 0.00286 0.08 0.2021 0.9258 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D02 mock treatment 1.017 0.00795 0.23 0.996 -0.00514 -0.15 0.0553 0.2006 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D03 mock treatment 1.012 0.00295 0.09 1.005 0.00386 0.11 0.1411 0.9898 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D04 mock treatment 1.022 0.013 0.38 1.008 0.00686 0.2 0.4086 0.9583 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D05 mock treatment 1.017 0.00795 0.23 1.002 8.59E-4 0.03 0.1808 0.7804 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D06 mock treatment 1.011 0.00195 0.06 1.014 0.0129 0.38 0.3088 0.8033 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D07 mock treatment 1.025 0.016 0.46 1.025 0.0239 0.71 0.8255 0.9789 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D08 mock treatment 1.023 0.014 0.4 1.018 0.0169 0.5 0.6382 0.9946 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D09 mock treatment 1.011 0.00195 0.06 1.004 0.00286 0.08 0.0997 0.9808 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D10 mock treatment 0.995 -0.014 -0.41 0.997 -0.00414 -0.12 -0.3743 -0.8809 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D11 mock treatment 1.057 0.048 1.39 1.012 0.0109 0.32 1.209 0.8482 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D12 mock treatment 1.027 0.018 0.52 1.012 0.0109 0.32 0.5946 0.9732 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D13 mock treatment 1.013 0.00395 0.11 1.002 8.59E-4 0.03 0.0989 0.8436 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D14 mock treatment 1.018 0.00895 0.26 1.016 0.0149 0.44 0.4939 0.9683 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D15 mock treatment 1.001 -0.00805 -0.23 0.992 -0.00914 -0.27 -0.3559 -0.9973 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D16 mock treatment 1.014 0.00495 0.14 1.026 0.0249 0.73 0.6211 0.8294 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D17 mock treatment 1.016 0.00695 0.2 1.025 0.0239 0.71 0.6412 0.874 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D18 mock treatment 1.007 -0.00205 -0.06 1.012 0.0109 0.32 0.1851 0.5668 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D19 mock treatment 1.027 0.018 0.52 1.03 0.0289 0.85 0.9709 0.9718 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D20 mock treatment 1.016 0.00695 0.2 1.013 0.0119 0.35 0.3903 0.9653 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D21 mock treatment 1.023 0.014 0.4 1.023 0.0219 0.65 0.7427 0.9744 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D22 mock treatment 1.035 0.026 0.75 1.033 0.0319 0.94 1.1975 0.9937 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D23 mock treatment 1.027 0.018 0.52 1.018 0.0169 0.5 0.7201 0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base D24 mock treatment 1.039 0.03 0.87 1.031 0.0299 0.88 1.2376 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E01 mock treatment 1.035 0.026 0.75 1.022 0.0209 0.62 0.9675 0.9952 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E02 mock treatment 1.026 0.017 0.49 1.024 0.0229 0.68 0.825 0.9877 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E03 mock treatment 1.027 0.018 0.52 1.016 0.0149 0.44 0.6783 0.9965 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E04 mock treatment 1.021 0.012 0.35 1.012 0.0109 0.32 0.4718 0.9993 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E05 mock treatment 1.016 0.00695 0.2 1.007 0.00586 0.17 0.2648 0.9972 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E06 mock treatment 1.016 0.00695 0.2 1.016 0.0149 0.44 0.453 0.9374 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E07 mock treatment 1.014 0.00495 0.14 1.014 0.0129 0.38 0.3702 0.9111 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E08 mock treatment 1.022 0.013 0.38 1.028 0.0269 0.79 0.8267 0.9414 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E09 mock treatment 1.026 0.017 0.49 1.017 0.0159 0.47 0.6787 0.9997 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E10 mock treatment 1.019 0.00995 0.29 1.011 0.00986 0.29 0.4099 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E11 mock treatment 1.016 0.00695 0.2 1.007 0.00586 0.17 0.2648 0.9972 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E12 mock treatment 1.025 0.016 0.46 1.025 0.0239 0.71 0.8255 0.9789 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E13 mock treatment 1.037 0.028 0.81 1.011 0.00986 0.29 0.7785 0.9049 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E14 mock treatment 1.02 0.011 0.32 1.017 0.0159 0.47 0.5558 0.9819 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E15 mock treatment 1.017 0.00795 0.23 1.007 0.00586 0.17 0.2853 0.9902 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E16 mock treatment 1.029 0.02 0.58 1.013 0.0119 0.35 0.6565 0.9714 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E17 mock treatment 1.013 0.00395 0.11 1.006 0.00486 0.14 0.1825 0.9936 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E18 mock treatment 1.033 0.024 0.69 1.004 0.00286 0.08 0.5502 0.7875 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E19 mock treatment 1.026 0.017 0.49 1.015 0.0139 0.41 0.6369 0.996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E20 mock treatment 1.034 0.025 0.72 1.029 0.0279 0.82 1.0934 0.9979 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E21 mock treatment 1.025 0.016 0.46 1.022 0.0209 0.62 0.7627 0.9899 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E22 mock treatment 1.016 0.00695 0.2 1.025 0.0239 0.71 0.6412 0.874 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E23 mock treatment 1.03 0.021 0.61 1.025 0.0239 0.71 0.9278 0.9972 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base E24 mock treatment 1.04 0.031 0.9 1.035 0.0339 1.0 1.3417 0.9985 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F01 mock treatment 1.029 0.02 0.58 1.018 0.0169 0.5 0.761 0.9973 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F02 mock treatment 1.012 0.00295 0.09 1.007 0.00586 0.17 0.1829 0.947 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F03 mock treatment 1.015 0.00595 0.17 1.014 0.0129 0.38 0.3907 0.936 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F04 mock treatment 1.013 0.00395 0.11 1.001 -1.41E-4 0.0 0.078 0.681 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F05 mock treatment 1.012 0.00295 0.09 1.014 0.0129 0.38 0.3293 0.8449 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F06 mock treatment 1.004 -0.00505 -0.15 0.996 -0.00514 -0.15 -0.2109 -0.9998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F07 mock treatment 1.003 -0.00605 -0.18 1.002 8.59E-4 0.03 -0.1059 -0.5983 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F08 mock treatment 1.015 0.00595 0.17 1.004 0.00286 0.08 0.1816 0.9463 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F09 mock treatment 1.031 0.022 0.64 1.025 0.0239 0.71 0.9483 0.9987 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F10 mock treatment 1.016 0.00695 0.2 1.007 0.00586 0.17 0.2648 0.9972 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F11 mock treatment 1.028 0.019 0.55 1.008 0.00686 0.2 0.5315 0.9084 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F12 mock treatment 1.033 0.024 0.69 1.019 0.0179 0.53 0.8638 0.9909 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F13 mock treatment 1.025 0.016 0.46 1.02 0.0189 0.56 0.7209 0.9956 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F14 mock treatment 1.02 0.011 0.32 1.011 0.00986 0.29 0.4304 0.9991 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F15 mock treatment 1.05 0.041 1.19 1.023 0.0219 0.65 1.2956 0.9593 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F16 mock treatment 1.006 -0.00305 -0.09 1.0 -0.00114 -0.03 -0.0863 -0.9128 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F17 mock treatment 1.033 0.024 0.69 1.035 0.0339 1.0 1.1983 0.9839 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F18 mock treatment 1.029 0.02 0.58 1.019 0.0179 0.53 0.7819 0.999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F19 mock treatment 1.02 0.011 0.32 1.021 0.0199 0.59 0.6394 0.9582 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F20 mock treatment 1.034 0.025 0.72 1.022 0.0209 0.62 0.947 0.9969 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F21 mock treatment 1.022 0.013 0.38 1.017 0.0159 0.47 0.5968 0.9939 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F22 mock treatment 1.012 0.00295 0.09 1.023 0.0219 0.65 0.5174 0.7937 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F23 mock treatment 1.03 0.021 0.61 1.022 0.0209 0.62 0.8651 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base F24 mock treatment 1.043 0.034 0.98 1.019 0.0179 0.53 1.0686 0.9575 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G01 mock treatment 1.011 0.00195 0.06 1.01 0.00886 0.26 0.2252 0.8403 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G02 mock treatment 0.999 -0.01 -0.29 0.992 -0.00914 -0.27 -0.3969 -0.9993 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G03 mock treatment 0.998 -0.011 -0.32 0.994 -0.00714 -0.21 -0.3756 -0.9796 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G04 mock treatment 1.011 0.00195 0.06 1.007 0.00586 0.17 0.1624 0.8915 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G05 mock treatment 1.012 0.00295 0.09 1.003 0.00186 0.05 0.0993 0.9773 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G06 mock treatment 1.0 -0.00905 -0.26 1.009 0.00786 0.23 -0.021 -0.06 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G07 mock treatment 0.998 -0.011 -0.32 1.01 0.00886 0.26 -0.0411 -0.0993 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G08 mock treatment 0.997 -0.012 -0.35 0.998 -0.00314 -0.09 -0.3124 -0.8652 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G09 mock treatment 0.999 -0.01 -0.29 0.991 -0.0101 -0.3 -0.4178 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G10 mock treatment 0.997 -0.012 -0.35 0.985 -0.0161 -0.48 -0.5842 -0.9882 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G11 mock treatment 0.998 -0.011 -0.32 1.001 -1.41E-4 0.0 -0.2292 -0.7162 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G12 mock treatment 0.994 -0.015 -0.44 1.004 0.00286 0.08 -0.2484 -0.5595 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G13 mock treatment 1.025 0.016 0.46 1.009 0.00786 0.23 0.491 0.9494 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G14 mock treatment 1.012 0.00295 0.09 1.004 0.00286 0.08 0.1202 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G15 mock treatment 1.016 0.00695 0.2 0.993 -0.00814 -0.24 -0.0279 -0.0888 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G16 mock treatment 1.006 -0.00305 -0.09 1.0 -0.00114 -0.03 -0.0863 -0.9128 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G17 mock treatment 1.031 0.022 0.64 1.004 0.00286 0.08 0.5093 0.7942 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G18 mock treatment 1.012 0.00295 0.09 1.009 0.00786 0.23 0.2247 0.9077 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G19 mock treatment 1.041 0.032 0.93 1.02 0.0189 0.56 1.0486 0.9706 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G20 mock treatment 1.02 0.011 0.32 1.015 0.0139 0.41 0.514 0.992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G21 mock treatment 1.022 0.013 0.38 1.009 0.00786 0.23 0.4295 0.9735 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G22 mock treatment 1.005 -0.00405 -0.12 0.996 -0.00514 -0.15 -0.1904 -0.9918 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G23 mock treatment 1.023 0.014 0.4 1.013 0.0119 0.35 0.5336 0.9975 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base G24 mock treatment 1.027 0.018 0.52 1.011 0.00986 0.29 0.5737 0.9626 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H01 mock treatment 0.992 -0.017 -0.49 0.99 -0.0111 -0.33 -0.5821 -0.9806 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H02 mock treatment 1.012 0.00295 0.09 1.011 0.00986 0.29 0.2665 0.8775 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H03 mock treatment 1.019 0.00995 0.29 1.015 0.0139 0.41 0.4935 0.9852 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H04 mock treatment 0.994 -0.015 -0.44 0.996 -0.00514 -0.15 -0.4157 -0.9005 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H05 mock treatment 1.004 -0.00505 -0.15 0.999 -0.00214 -0.06 -0.1482 -0.9298 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H06 mock treatment 1.018 0.00895 0.26 1.009 0.00786 0.23 0.3476 0.9985 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H07 mock treatment 1.005 -0.00405 -0.12 0.999 -0.00214 -0.06 -0.1277 -0.9581 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H08 mock treatment 1.008 -0.00105 -0.03 0.996 -0.00514 -0.15 -0.129 -0.832 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H09 mock treatment 1.006 -0.00305 -0.09 0.984 -0.0171 -0.51 -0.4208 -0.818 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H10 mock treatment 0.996 -0.013 -0.38 0.99 -0.0111 -0.33 -0.5001 -0.9977 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H11 mock treatment 0.995 -0.014 -0.41 0.998 -0.00314 -0.09 -0.3534 -0.8467 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H12 mock treatment 1.023 0.014 0.4 1.008 0.00686 0.2 0.4291 0.9492 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H13 mock treatment 1.027 0.018 0.52 1.005 0.00386 0.11 0.4483 0.8423 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H14 mock treatment 1.023 0.014 0.4 1.001 -1.41E-4 0.0 0.2827 0.6998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H15 mock treatment 1.021 0.012 0.35 1.0 -0.00114 -0.03 0.2209 0.6352 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H16 mock treatment 0.999 -0.01 -0.29 0.998 -0.00314 -0.09 -0.2715 -0.8886 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H17 mock treatment 0.997 -0.012 -0.35 0.994 -0.00714 -0.21 -0.396 -0.971 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H18 mock treatment 1.008 -0.00105 -0.03 1.008 0.00686 0.2 0.1219 0.5945 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H19 mock treatment 1.014 0.00495 0.14 1.016 0.0149 0.44 0.412 0.8916 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H20 mock treatment 1.012 0.00295 0.09 1.02 0.0189 0.56 0.4547 0.8061 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H21 mock treatment 0.991 -0.018 -0.52 0.989 -0.0121 -0.36 -0.6234 -0.9832 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H22 mock treatment 1.024 0.015 0.43 1.011 0.00986 0.29 0.5123 0.9815 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H23 mock treatment 1.019 0.00995 0.29 1.027 0.0259 0.76 0.7444 0.9111 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base H24 mock treatment 1.022 0.013 0.38 1.008 0.00686 0.2 0.4086 0.9583 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I01 mock treatment 0.995 -0.014 -0.41 0.985 -0.0161 -0.48 -0.6252 -0.9969 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I02 mock treatment 1.017 0.00795 0.23 0.999 -0.00214 -0.06 0.1181 0.4944 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I03 mock treatment 0.986 -0.023 -0.67 0.991 -0.0101 -0.3 -0.684 -0.9347 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I04 mock treatment 0.995 -0.014 -0.41 0.987 -0.0141 -0.42 -0.5833 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I05 mock treatment 0.985 -0.024 -0.7 0.983 -0.0181 -0.54 -0.8717 -0.9917 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I06 mock treatment 1.001 -0.00805 -0.23 0.99 -0.0111 -0.33 -0.3978 -0.9857 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I07 mock treatment 1.002 -0.00705 -0.2 0.997 -0.00414 -0.12 -0.2309 -0.9701 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I08 mock treatment 1.009 -4.95E-5 0.0 1.001 -1.41E-4 0.0 -0.004 -0.8989 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I09 mock treatment 0.995 -0.014 -0.41 0.991 -0.0101 -0.3 -0.4997 -0.9887 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I10 mock treatment 0.987 -0.022 -0.64 0.987 -0.0141 -0.42 -0.7472 -0.9789 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I11 mock treatment 1.001 -0.00805 -0.23 0.991 -0.0101 -0.3 -0.3768 -0.9923 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I12 mock treatment 0.989 -0.02 -0.58 0.987 -0.0141 -0.42 -0.7062 -0.987 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I13 mock treatment 1.004 -0.00505 -0.15 0.98 -0.0211 -0.63 -0.5454 -0.8496 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I14 mock treatment 0.976 -0.033 -0.96 0.973 -0.0281 -0.83 -1.2651 -0.9976 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I15 mock treatment 1.019 0.00995 0.29 1.014 0.0129 0.38 0.4726 0.9907 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I16 mock treatment 0.991 -0.018 -0.52 0.976 -0.0251 -0.74 -0.8952 -0.9852 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I17 mock treatment 0.997 -0.012 -0.35 0.997 -0.00414 -0.12 -0.3333 -0.9013 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I18 mock treatment 1.017 0.00795 0.23 1.008 0.00686 0.2 0.3062 0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I19 mock treatment 0.992 -0.017 -0.49 0.997 -0.00414 -0.12 -0.4357 -0.8565 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I20 mock treatment 0.977 -0.032 -0.93 0.998 -0.00314 -0.09 -0.722 -0.774 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I21 mock treatment 1.004 -0.00505 -0.15 0.992 -0.00914 -0.27 -0.2945 -0.9584 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I22 mock treatment 0.999 -0.01 -0.29 0.991 -0.0101 -0.3 -0.4178 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I23 mock treatment 1.019 0.00995 0.29 1.011 0.00986 0.29 0.4099 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base I24 mock treatment 0.993 -0.016 -0.46 0.998 -0.00314 -0.09 -0.3943 -0.8319 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J01 mock treatment 1.001 -0.00805 -0.23 0.983 -0.0181 -0.54 -0.5441 -0.9304 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J02 mock treatment 1.004 -0.00505 -0.15 0.984 -0.0171 -0.51 -0.4618 -0.8754 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J03 mock treatment 0.983 -0.026 -0.75 0.978 -0.0231 -0.68 -1.0172 -0.9988 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J04 mock treatment 0.995 -0.014 -0.41 0.979 -0.0221 -0.65 -0.7506 -0.9738 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J05 mock treatment 1.001 -0.00805 -0.23 0.992 -0.00914 -0.27 -0.3559 -0.9973 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J06 mock treatment 0.99 -0.019 -0.55 0.985 -0.0161 -0.48 -0.7275 -0.9974 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J07 mock treatment 1.008 -0.00105 -0.03 1.005 0.00386 0.11 0.0592 0.5013 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J08 mock treatment 1.01 9.51E-4 0.03 0.998 -0.00314 -0.09 -0.0462 -0.477 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J09 mock treatment 0.991 -0.018 -0.52 0.982 -0.0191 -0.57 -0.7698 -0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J10 mock treatment 0.985 -0.024 -0.7 0.977 -0.0241 -0.71 -0.9972 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J11 mock treatment 0.97 -0.039 -1.13 0.966 -0.0351 -1.04 -1.5343 -0.9991 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J12 mock treatment 0.99 -0.019 -0.55 0.993 -0.00814 -0.24 -0.5603 -0.9309 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J13 mock treatment 1.006 -0.00305 -0.09 1.004 0.00286 0.08 -0.0027 -0.0218 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J14 mock treatment 0.976 -0.033 -0.96 0.983 -0.0181 -0.54 -1.0561 -0.9625 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J15 mock treatment 1.005 -0.00405 -0.12 0.998 -0.00314 -0.09 -0.1486 -0.9933 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J16 mock treatment 0.998 -0.011 -0.32 0.995 -0.00614 -0.18 -0.3547 -0.964 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J17 mock treatment 1.004 -0.00505 -0.15 0.994 -0.00714 -0.21 -0.2527 -0.9839 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J18 mock treatment 1.001 -0.00805 -0.23 0.995 -0.00614 -0.18 -0.2932 -0.9924 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J19 mock treatment 0.991 -0.018 -0.52 1.005 0.00386 0.11 -0.2889 -0.54 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J20 mock treatment 1.008 -0.00105 -0.03 1.003 0.00186 0.05 0.0174 0.2767 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J21 mock treatment 0.994 -0.015 -0.44 0.992 -0.00914 -0.27 -0.4993 -0.9736 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J22 mock treatment 1.0 -0.00905 -0.26 0.999 -0.00214 -0.06 -0.2301 -0.8533 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J23 mock treatment 1.002 -0.00705 -0.2 0.99 -0.0111 -0.33 -0.3773 -0.9735 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base J24 mock treatment 1.0 -0.00905 -0.26 0.995 -0.00614 -0.18 -0.3137 -0.9839 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K01 mock treatment 1.024 0.015 0.43 1.007 0.00586 0.17 0.4287 0.9192 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K02 mock treatment 0.981 -0.028 -0.81 0.983 -0.0181 -0.54 -0.9537 -0.9797 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K03 mock treatment 1.005 -0.00405 -0.12 1.001 -1.41E-4 0.0 -0.0859 -0.7317 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K04 mock treatment 0.997 -0.012 -0.35 1.007 0.00586 0.17 -0.1243 -0.3189 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K05 mock treatment 1.019 0.00995 0.29 0.993 -0.00814 -0.24 0.0336 0.0894 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K06 mock treatment 1.003 -0.00605 -0.18 1.003 0.00186 0.05 -0.085 -0.463 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K07 mock treatment 1.038 0.029 0.84 1.025 0.0239 0.71 1.0917 0.9963 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K08 mock treatment 1.017 0.00795 0.23 1.018 0.0169 0.5 0.5153 0.9385 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K09 mock treatment 1.01 9.51E-4 0.03 1.006 0.00486 0.14 0.1211 0.8275 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K10 mock treatment 1.007 -0.00205 -0.06 1.002 8.59E-4 0.03 -0.024 -0.3718 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K11 mock treatment 1.017 0.00795 0.23 1.008 0.00686 0.2 0.3062 0.998 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K12 mock treatment 1.012 0.00295 0.09 1.003 0.00186 0.05 0.0993 0.9773 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K13 mock treatment 1.0 -0.00905 -0.26 0.994 -0.00714 -0.21 -0.3346 -0.9943 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K14 mock treatment 0.995 -0.014 -0.41 0.99 -0.0111 -0.33 -0.5206 -0.9945 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K15 mock treatment 1.004 -0.00505 -0.15 0.995 -0.00614 -0.18 -0.2318 -0.9942 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K16 mock treatment 1.011 0.00195 0.06 1.01 0.00886 0.26 0.2252 0.8403 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K17 mock treatment 1.021 0.012 0.35 1.013 0.0119 0.35 0.4927 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K18 mock treatment 0.999 -0.01 -0.29 1.006 0.00486 0.14 -0.1042 -0.3211 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K19 mock treatment 1.02 0.011 0.32 1.009 0.00786 0.23 0.3886 0.9883 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K20 mock treatment 1.0 -0.00905 -0.26 1.003 0.00186 0.05 -0.1464 -0.5469 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K21 mock treatment 1.027 0.018 0.52 1.0 -0.00114 -0.03 0.3438 0.6598 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K22 mock treatment 1.013 0.00395 0.11 1.008 0.00686 0.2 0.2243 0.9633 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K23 mock treatment 1.009 -4.95E-5 0.0 0.997 -0.00414 -0.12 -0.0876 -0.7153 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base K24 mock treatment 1.022 0.013 0.38 1.006 0.00486 0.14 0.3668 0.9133 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L01 mock treatment 0.995 -0.014 -0.41 0.977 -0.0241 -0.71 -0.7924 -0.9645 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L02 mock treatment 1.008 -0.00105 -0.03 0.987 -0.0141 -0.42 -0.3171 -0.7565 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L03 mock treatment 0.994 -0.015 -0.44 0.994 -0.00714 -0.21 -0.4575 -0.9446 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L04 mock treatment 1.012 0.00295 0.09 1.007 0.00586 0.17 0.1829 0.947 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L05 mock treatment 0.997 -0.012 -0.35 1.006 0.00486 0.14 -0.1452 -0.3847 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L06 mock treatment 1.01 9.51E-4 0.03 1.002 8.59E-4 0.03 0.0374 0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L07 mock treatment 1.019 0.00995 0.29 1.013 0.0119 0.35 0.4517 0.9953 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L08 mock treatment 1.017 0.00795 0.23 1.012 0.0109 0.32 0.3898 0.9867 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L09 mock treatment 0.999 -0.01 -0.29 0.997 -0.00414 -0.12 -0.2924 -0.926 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L10 mock treatment 1.004 -0.00505 -0.15 0.993 -0.00814 -0.24 -0.2736 -0.9715 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L11 mock treatment 0.993 -0.016 -0.46 0.999 -0.00214 -0.06 -0.3734 -0.796 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L12 mock treatment 1.012 0.00295 0.09 0.984 -0.0171 -0.51 -0.2979 -0.5797 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L13 mock treatment 0.995 -0.014 -0.41 0.991 -0.0101 -0.3 -0.4997 -0.9887 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L14 mock treatment 1.017 0.00795 0.23 0.996 -0.00514 -0.15 0.0553 0.2006 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L15 mock treatment 1.012 0.00295 0.09 1.003 0.00186 0.05 0.0993 0.9773 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L16 mock treatment 1.001 -0.00805 -0.23 0.998 -0.00314 -0.09 -0.2305 -0.9186 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L17 mock treatment 1.015 0.00595 0.17 1.005 0.00386 0.11 0.2025 0.98 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L18 mock treatment 1.003 -0.00605 -0.18 0.992 -0.00914 -0.27 -0.315 -0.978 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L19 mock treatment 0.996 -0.013 -0.38 0.996 -0.00514 -0.15 -0.3747 -0.9199 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L20 mock treatment 1.013 0.00395 0.11 1.0 -0.00114 -0.03 0.0571 0.4783 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L21 mock treatment 0.999 -0.01 -0.29 0.989 -0.0121 -0.36 -0.4596 -0.9946 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L22 mock treatment 1.005 -0.00405 -0.12 0.994 -0.00714 -0.21 -0.2322 -0.9615 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L23 mock treatment 1.02 0.011 0.32 1.014 0.0129 0.38 0.4931 0.9959 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base L24 mock treatment 1.025 0.016 0.46 1.006 0.00486 0.14 0.4282 0.8852 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M01 mock treatment 1.004 -0.00505 -0.15 0.993 -0.00814 -0.24 -0.2736 -0.9715 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M02 mock treatment 1.0 -0.00905 -0.26 0.988 -0.0131 -0.39 -0.46 -0.9816 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M03 mock treatment 0.989 -0.02 -0.58 0.984 -0.0171 -0.51 -0.7689 -0.9977 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M04 mock treatment 1.0 -0.00905 -0.26 0.991 -0.0101 -0.3 -0.3973 -0.9978 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M05 mock treatment 0.988 -0.021 -0.61 0.974 -0.0271 -0.8 -0.9985 -0.9908 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M06 mock treatment 0.983 -0.026 -0.75 0.983 -0.0181 -0.54 -0.9127 -0.986 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M07 mock treatment 1.002 -0.00705 -0.2 0.994 -0.00714 -0.21 -0.2936 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M08 mock treatment 1.007 -0.00205 -0.06 1.001 -1.41E-4 0.0 -0.0449 -0.7548 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M09 mock treatment 0.997 -0.012 -0.35 0.993 -0.00814 -0.24 -0.4169 -0.9836 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M10 mock treatment 0.974 -0.035 -1.02 0.974 -0.0271 -0.8 -1.2852 -0.9932 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M11 mock treatment 1.005 -0.00405 -0.12 0.993 -0.00814 -0.24 -0.2531 -0.9454 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M12 mock treatment 0.983 -0.026 -0.75 0.961 -0.0401 -1.19 -1.3726 -0.9761 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M13 mock treatment 1.018 0.00895 0.26 0.99 -0.0111 -0.33 -0.0496 -0.1184 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M14 mock treatment 0.994 -0.015 -0.44 0.98 -0.0211 -0.63 -0.7502 -0.9845 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M15 mock treatment 0.997 -0.012 -0.35 0.972 -0.0291 -0.86 -0.856 -0.9208 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M16 mock treatment 0.978 -0.031 -0.9 0.958 -0.0431 -1.28 -1.5378 -0.9854 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M17 mock treatment 1.005 -0.00405 -0.12 0.993 -0.00814 -0.24 -0.2531 -0.9454 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M18 mock treatment 0.992 -0.017 -0.49 0.99 -0.0111 -0.33 -0.5821 -0.9806 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M19 mock treatment 0.987 -0.022 -0.64 0.976 -0.0251 -0.74 -0.9771 -0.9971 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M20 mock treatment 0.992 -0.017 -0.49 0.987 -0.0141 -0.42 -0.6448 -0.9966 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M21 mock treatment 1.011 0.00195 0.06 1.0 -0.00114 -0.03 0.0161 0.2447 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M22 mock treatment 1.004 -0.00505 -0.15 0.993 -0.00814 -0.24 -0.2736 -0.9715 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M23 mock treatment 0.997 -0.012 -0.35 0.987 -0.0141 -0.42 -0.5424 -0.996 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base M24 mock treatment 1.018 0.00895 0.26 0.997 -0.00414 -0.12 0.0967 0.3374 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N01 mock treatment 0.995 -0.014 -0.41 0.985 -0.0161 -0.48 -0.6252 -0.9969 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N02 mock treatment 0.98 -0.029 -0.84 0.966 -0.0351 -1.04 -1.3296 -0.9945 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N03 mock treatment 0.98 -0.029 -0.84 0.98 -0.0211 -0.63 -1.0369 -0.9893 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N04 mock treatment 1.0 -0.00905 -0.26 0.984 -0.0171 -0.51 -0.5437 -0.9529 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N05 mock treatment 0.989 -0.02 -0.58 0.981 -0.0201 -0.6 -0.8316 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N06 mock treatment 0.99 -0.019 -0.55 0.988 -0.0131 -0.39 -0.6648 -0.9853 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N07 mock treatment 0.998 -0.011 -0.32 0.997 -0.00414 -0.12 -0.3128 -0.9131 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N08 mock treatment 1.009 -4.95E-5 0.0 0.994 -0.00714 -0.21 -0.1503 -0.7119 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N09 mock treatment 0.995 -0.014 -0.41 0.994 -0.00714 -0.21 -0.437 -0.9533 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N10 mock treatment 0.98 -0.029 -0.84 0.983 -0.0181 -0.54 -0.9741 -0.9764 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N11 mock treatment 0.983 -0.026 -0.75 0.975 -0.0261 -0.77 -1.08 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N12 mock treatment 0.99 -0.019 -0.55 0.985 -0.0161 -0.48 -0.7275 -0.9974 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N13 mock treatment 0.986 -0.023 -0.67 0.989 -0.0121 -0.36 -0.7258 -0.9577 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N14 mock treatment 0.98 -0.029 -0.84 0.979 -0.0221 -0.65 -1.0578 -0.9923 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N15 mock treatment 0.993 -0.016 -0.46 0.989 -0.0121 -0.36 -0.5825 -0.9918 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N16 mock treatment 0.997 -0.012 -0.35 0.989 -0.0121 -0.36 -0.5006 -0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N17 mock treatment 1.001 -0.00805 -0.23 0.997 -0.00414 -0.12 -0.2514 -0.9548 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N18 mock treatment 0.995 -0.014 -0.41 0.984 -0.0171 -0.51 -0.6461 -0.9941 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N19 mock treatment 0.989 -0.02 -0.58 0.987 -0.0141 -0.42 -0.7062 -0.987 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N20 mock treatment 0.977 -0.032 -0.93 0.983 -0.0181 -0.54 -1.0356 -0.966 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N21 mock treatment 0.98 -0.029 -0.84 0.982 -0.0191 -0.57 -0.995 -0.9814 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N22 mock treatment 0.988 -0.021 -0.61 0.982 -0.0191 -0.57 -0.8312 -0.9993 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N23 mock treatment 0.983 -0.026 -0.75 0.98 -0.0211 -0.63 -0.9754 -0.9956 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base N24 mock treatment 1.015 0.00595 0.17 0.992 -0.00914 -0.27 -0.0692 -0.216 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O01 mock treatment 1.009 -4.95E-5 0.0 0.996 -0.00514 -0.15 -0.1085 -0.7137 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O02 mock treatment 1.003 -0.00605 -0.18 1.002 8.59E-4 0.03 -0.1059 -0.5983 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O03 mock treatment 1.0 -0.00905 -0.26 0.995 -0.00614 -0.18 -0.3137 -0.9839 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O04 mock treatment 1.024 0.015 0.43 1.022 0.0209 0.62 0.7423 0.985 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O05 mock treatment 1.003 -0.00605 -0.18 0.998 -0.00314 -0.09 -0.1895 -0.9559 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O06 mock treatment 1.022 0.013 0.38 1.01 0.00886 0.26 0.4504 0.9846 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O07 mock treatment 1.012 0.00295 0.09 1.003 0.00186 0.05 0.0993 0.9773 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O08 mock treatment 1.022 0.013 0.38 1.007 0.00586 0.17 0.3877 0.9384 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O09 mock treatment 1.007 -0.00205 -0.06 0.997 -0.00414 -0.12 -0.1285 -0.9448 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O10 mock treatment 0.996 -0.013 -0.38 0.999 -0.00214 -0.06 -0.312 -0.8142 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O11 mock treatment 1.009 -4.95E-5 0.0 0.994 -0.00714 -0.21 -0.1503 -0.7119 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O12 mock treatment 1.017 0.00795 0.23 1.009 0.00786 0.23 0.3271 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O13 mock treatment 1.014 0.00495 0.14 0.998 -0.00314 -0.09 0.0357 0.2091 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O14 mock treatment 1.006 -0.00305 -0.09 0.997 -0.00414 -0.12 -0.149 -0.9872 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O15 mock treatment 1.014 0.00495 0.14 1.006 0.00486 0.14 0.203 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O16 mock treatment 1.022 0.013 0.38 1.014 0.0129 0.38 0.534 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O17 mock treatment 1.025 0.016 0.46 1.017 0.0159 0.47 0.6582 1.0 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O18 mock treatment 1.007 -0.00205 -0.06 0.999 -0.00214 -0.06 -0.0867 -0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O19 mock treatment 1.01 9.51E-4 0.03 1.0 -0.00114 -0.03 -0.0044 -0.1006 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O20 mock treatment 1.023 0.014 0.4 1.012 0.0109 0.32 0.5127 0.9935 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O21 mock treatment 1.016 0.00695 0.2 1.002 8.59E-4 0.03 0.1603 0.7901 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O22 mock treatment 1.024 0.015 0.43 1.006 0.00486 0.14 0.4078 0.8938 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O23 mock treatment 1.012 0.00295 0.09 1.005 0.00386 0.11 0.1411 0.9898 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base O24 mock treatment 1.015 0.00595 0.17 1.013 0.0119 0.35 0.3698 0.9465 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P01 mock treatment 0.994 -0.015 -0.44 0.99 -0.0111 -0.33 -0.5411 -0.9905 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P02 mock treatment 1.021 0.012 0.35 1.01 0.00886 0.26 0.4299 0.9906 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P03 mock treatment 1.011 0.00195 0.06 0.998 -0.00314 -0.09 -0.0257 -0.2366 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P04 mock treatment 1.018 0.00895 0.26 0.997 -0.00414 -0.12 0.0967 0.3374 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P05 mock treatment 1.0 -0.00905 -0.26 0.981 -0.0201 -0.6 -0.6064 -0.932 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P06 mock treatment 1.022 0.013 0.38 1.006 0.00486 0.14 0.3668 0.9133 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P07 mock treatment 1.017 0.00795 0.23 1.0 -0.00114 -0.03 0.139 0.5972 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P08 mock treatment 1.014 0.00495 0.14 0.991 -0.0101 -0.3 -0.1106 -0.3329 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P09 mock treatment 1.018 0.00895 0.26 1.006 0.00486 0.14 0.2849 0.9613 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P10 mock treatment 1.018 0.00895 0.26 1.008 0.00686 0.2 0.3267 0.9926 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P11 mock treatment 1.016 0.00695 0.2 1.006 0.00486 0.14 0.2439 0.9863 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P12 mock treatment 1.021 0.012 0.35 1.005 0.00386 0.11 0.3254 0.893 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P13 mock treatment 1.029 0.02 0.58 1.018 0.0169 0.5 0.761 0.9973 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P14 mock treatment 1.024 0.015 0.43 1.017 0.0159 0.47 0.6377 0.9992 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P15 mock treatment 1.025 0.016 0.46 1.018 0.0169 0.5 0.6791 0.9993 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P16 mock treatment 1.034 0.025 0.72 1.025 0.0239 0.71 1.0098 0.9999 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P17 mock treatment 1.016 0.00695 0.2 1.009 0.00786 0.23 0.3066 0.9974 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P18 mock treatment 1.008 -0.00105 -0.03 1.003 0.00186 0.05 0.0174 0.2767 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P19 mock treatment 1.022 0.013 0.38 1.016 0.0149 0.44 0.5759 0.9969 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P20 mock treatment 1.031 0.022 0.64 1.024 0.0229 0.68 0.9274 0.9995 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P21 mock treatment 1.024 0.015 0.43 1.003 0.00186 0.05 0.345 0.7905 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P22 mock treatment 1.016 0.00695 0.2 1.03 0.0289 0.85 0.7457 0.8506 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P23 mock treatment 1.036 0.027 0.78 1.034 0.0329 0.97 1.2389 0.9941 1062.0003 NADH360(1062.0003) GDHGSAssay 1062.0003.Base P24 mock treatment 1.039 0.03 0.87 1.026 0.0249 0.73 1.1331 0.9966