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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A01 mock treatment -0.0058 -0.00546 -0.54 0.0058 0.00577 0.44 -0.0732 -0.1057 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A02 mock treatment -0.0018 -0.00146 -0.14 -0.0022 -0.00223 -0.17 -0.2212 -0.997 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A03 compound treatment -0.0018 -0.00146 -0.14 -0.0012 -0.00123 -0.09 -0.1678 -0.9774 985 SPBio_000001 Nc1ccc(C(=O)O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A04 compound treatment 0.0022 0.00254 0.25 0.0047 0.0047 0.35 0.4279 0.9855 1408 SPBio_000002 NC1(CC2CC3CC(C2)C1)C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A05 compound treatment -8.0E-4 -4.64E-4 -0.05 0.0117 0.0117 0.88 0.5922 0.6696 1367 SPBio_000003 Cc1cc(O)ccc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A06 compound treatment -8.0E-4 -4.63E-4 -0.05 -0.0042 -0.00423 -0.32 -0.2582 -0.8 692 SPBio_000004 CC(=O)Nc1nnc(s1)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A07 compound treatment 0.0032 0.00354 0.35 -0.0083 -0.00828 -0.63 -0.1955 -0.273 1001324 SPBio_000005 OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A08 compound treatment -0.0058 -0.00546 -0.54 -2.0E-4 -2.36E-4 -0.02 -0.3935 -0.7301 2550 SPBio_000006 O[C@@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A09 compound treatment -0.0028 -0.00246 -0.24 -0.0012 -0.00123 -0.09 -0.2376 -0.9131 3058614 SPBio_000007 C[C@@H](CO)NC(=O)C1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A10 compound treatment 0.0022 0.00254 0.25 8.0E-4 7.65E-4 0.06 0.218 0.8479 760 SPBio_000008 N[C@@H]1CONC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A11 compound treatment -0.0038 -0.00346 -0.34 0.0048 0.00477 0.36 0.0132 0.0266 3199904 SPBio_000009 OC(=O)c1ccccc1OC(=O)/C=C/C(=O)Oc2ccccc2C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A12 compound treatment -0.0068 -0.00646 -0.64 -0.0012 -0.00124 -0.09 -0.5168 -0.802 1267 SPBio_000010 CC(=O)Nc1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A13 compound treatment -0.0028 -0.00246 -0.24 -0.0032 -0.00323 -0.24 -0.3443 -1.0 1300 SPBio_000011 OC(=O)c1cccnc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A14 compound treatment -0.0068 -0.00646 -0.64 -0.0012 -0.00123 -0.09 -0.5164 -0.8018 1001897 SPBio_000012 CC(=O)N[C@@H](CS)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A15 compound treatment -8.0E-4 -4.59E-4 -0.05 0.0018 0.00177 0.13 0.0623 0.4421 3174099 SPBio_000013 Nc1cccc(c1)C(=C2C=CC(=N)C=C2)c3cccc(N)c3.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A16 compound treatment -0.0038 -0.00346 -0.34 -0.0022 -0.00223 -0.17 -0.3607 -0.9472 1037 SPBio_000014 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A17 compound treatment -0.0068 -0.00646 -0.64 -0.0012 -0.00123 -0.09 -0.5167 -0.802 1199 SPBio_000015 CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A18 compound treatment -8.0E-4 -4.64E-4 -0.05 -0.0012 -0.00124 -0.09 -0.0983 -0.9461 1108 SPBio_000016 Cc1cc(=O)n(c2ccccc2)n1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A19 compound treatment -0.0018 -0.00146 -0.14 0.0018 0.00177 0.13 -0.0077 -0.0394 1096 SPBio_000017 C[N+](C)(C)CC(O)CC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A20 compound treatment -0.0068 -0.00646 -0.64 -0.0022 -0.00223 -0.17 -0.5701 -0.8645 1132 SPBio_000018 CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A21 compound treatment -0.0058 -0.00546 -0.54 -0.0042 -0.00423 -0.32 -0.607 -0.9688 3059433 SPBio_000019 CC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A22 compound treatment -0.0018 -0.00146 -0.14 -0.0062 -0.00623 -0.47 -0.4348 -0.8834 697 SPBio_000020 Cn1c(=O)n(C)c2ncn(CC(O)CO)c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A23 mock treatment 0.0042 0.00454 0.45 0.0028 0.00277 0.21 0.4642 0.9397 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 A24 mock treatment -8.0E-4 -4.63E-4 -0.05 -2.0E-4 -2.32E-4 -0.02 -0.0446 -0.9135 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B01 mock treatment -0.0077 -0.00744 -0.73 -0.0062 -0.00623 -0.47 -0.8519 -0.9769 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B02 mock treatment -0.0078 -0.00746 -0.74 -0.0022 -0.00223 -0.17 -0.6397 -0.847 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B03 compound treatment -0.0038 -0.00346 -0.34 -0.0032 -0.00323 -0.24 -0.4139 -0.9864 2060046 SPBio_000021 C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)[C@@]4(C)O[C@]43[C@H]2OC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B04 compound treatment -0.0107 -0.0104 -1.03 -0.0032 -0.00323 -0.24 -0.9007 -0.8511 2060083 SPBio_000022 COC(=O)C(O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B05 compound treatment -0.0068 -0.00646 -0.64 -0.0093 -0.00928 -0.7 -0.9461 -0.9989 2060226 SPBio_000023 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c4c(=O)c(O)cc(cc34)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5OC(=O)c7cc(O)c(O)c(O)c7 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B06 compound treatment -0.0058 -0.00546 -0.54 0.0047 0.0047 0.35 -0.1303 -0.2019 2060085 SPBio_000024 C[C@]12CCC3[C@@](C)([C@H](O)CC4[C@]3(C)C=CC(=O)OC4(C)C)C25OC5C(=O)O[C@H]1c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B07 compound treatment -0.0087 -0.00841 -0.83 -0.0092 -0.00923 -0.7 -1.0797 -0.9962 2060422 SPBio_000025 CCOc1ccc(cc1)C(=O)c2cc(O)c(OC)c(OC)c2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B08 compound treatment -0.0038 -0.00346 -0.34 -0.0082 -0.00823 -0.62 -0.6808 -0.9602 2069252 SPBio_000026 CCC(C)C(OC(=O)C)C(=O)O[C@H]1[C@H](OC=O)C(C(=C)C2(O)C(=O)C[C@@H](c3ccoc3)[C@]12C)[C@]4(C)C(CC(=O)OC)[C@@](C)(COC(=O)C)OC(=O)C[C@@H]4OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B09 compound treatment 0.0012 0.00154 0.15 -0.0063 -0.00628 -0.47 -0.2282 -0.4583 2060223 SPBio_000027 COc1cc(OC)c2C[C@H](O)[C@H](Oc2c1)c3ccc(OC)c(OC)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B10 compound treatment -0.0028 -0.00246 -0.24 8.0E-4 7.64E-4 0.06 -0.1308 -0.5244 2060087 SPBio_000028 COC(=O)C(O)[C@H]1C(C)(C)C(OC(=O)/C(=C/C)/C)[C@@H]2C=C3C(CC[C@@]4(C)[C@@H](OC(=O)CC34)c5ccoc5)[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B11 compound treatment -0.0107 -0.0104 -1.03 -0.0103 -0.0103 -0.78 -1.2771 -0.9903 2060224 SPBio_000029 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4ccc(O)c(O)c4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B12 compound treatment 0.0013 0.00156 0.15 -0.0042 -0.00423 -0.32 -0.1174 -0.3311 2060090 SPBio_000030 COC(=O)C[C@H]1C(C)(C)C(OC(=O)C)[C@]2(O)C=C3C(CC[C@@]4(C)[C@@H](OC(=O)CC34)c5ccoc5)[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B13 compound treatment -0.0078 -0.00746 -0.74 -0.0032 -0.00323 -0.24 -0.6931 -0.8937 2060169 SPBio_000031 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4c5c(O)c(O)c(O)cc5[C@H]6Oc7cc(O)cc(O)c7C[C@H]6OC(=O)c8cc(O)c(O)c(O)c8 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B14 compound treatment -0.0147 -0.0144 -1.42 -0.0113 -0.0113 -0.85 -1.6073 -0.9703 2060089 SPBio_000032 CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)CC32OC4(C)O[C@]53[C@H](OC(=O)C)[C@@]6(O)C(OC(=O)C7(C)OC7C)C8(C)CC6(O)[C@@](C)([C@H]8CC(=O)OC)[C@@]15O4)c9ccoc9 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B15 compound treatment -0.0038 -0.00346 -0.34 -0.0062 -0.00623 -0.47 -0.5743 -0.9876 1254 SPBio_000033 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B16 compound treatment -0.0107 -0.0104 -1.03 -0.0123 -0.0123 -0.93 -1.3805 -0.9986 2060091 SPBio_000034 CC(CC(O)C1OC1(C)C)[C@@H]2CCC3(C)C4=CCC5C(C)(C)C(=O)CCC5(C)C4CC[C@@]23C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B17 compound treatment -0.0098 -0.00946 -0.93 -0.0052 -0.00523 -0.39 -0.9394 -0.9268 1859 SPBio_000035 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B18 compound treatment 0.0103 0.0106 1.04 -2.0E-4 -2.36E-4 -0.02 0.7239 0.6949 2060093 SPBio_000036 CC([C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C)C5OC(C)(C)C(O)C5O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B19 compound treatment -0.0018 -0.00146 -0.14 -0.0012 -0.00123 -0.09 -0.168 -0.9776 2060218 SPBio_000037 COc1c(CC(=O)c2cc3CC(O)C(C)(C)Oc3cc2O)ccc4OC(C)(C)C=Cc14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B20 compound treatment -0.0087 -0.00841 -0.83 -0.0082 -0.00823 -0.62 -1.0263 -0.9898 2060094 SPBio_000038 COC(=O)C(O)[C@H]1C(C)(C)[C@@H](OC(=O)C)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B21 compound treatment -0.0068 -0.00646 -0.64 -0.0093 -0.00928 -0.7 -0.9463 -0.9989 3054028 SPBio_000039 CC(CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)C4(C)CC[C@H](O)C(C)(C)C4CC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B22 compound treatment 0.0113 0.0116 1.14 0.0177 0.0177 1.34 1.7543 0.997 2060115 SPBio_000040 CC(=CCOc1cc2oc(=O)ccc2cc1O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B23 mock treatment -0.0038 -0.00346 -0.34 -0.0072 -0.00723 -0.55 -0.6277 -0.9745 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 B24 mock treatment -0.0078 -0.00746 -0.74 -0.0072 -0.00723 -0.55 -0.9064 -0.9892 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C01 mock treatment 0.0022 0.00254 0.25 0.0048 0.00477 0.36 0.4315 0.9842 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C02 mock treatment 0.0012 0.00154 0.15 0.0038 0.00377 0.28 0.3083 0.9567 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C03 compound treatment 0.0082 0.00854 0.84 0.0038 0.00377 0.28 0.7968 0.8962 2069233 SPBio_000041 COc1ccc2C3CCC4(C)C(O)[C@H](O)CC4C3CCc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C04 compound treatment 0.0082 0.00854 0.84 0.0088 0.00877 0.66 1.0637 0.9929 844 SPBio_000042 CNCCCN1c2ccccc2CCc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C05 compound treatment 0.0062 0.00654 0.64 0.0048 0.00477 0.36 0.7105 0.9621 2069241 SPBio_000043 COc1ccc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C06 compound treatment -0.0028 -0.00246 -0.24 -0.0012 -0.00123 -0.09 -0.2376 -0.9132 678 SPBio_000044 NCC(CC(=O)O)c1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C07 compound treatment 3.0E-4 6.06E-4 0.06 -0.0022 -0.00223 -0.17 -0.0768 -0.4298 1094519 SPBio_000045 CC(=O)N1CCCC1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C08 compound treatment -0.0078 -0.00746 -0.74 -0.0022 -0.00223 -0.17 -0.6397 -0.847 1469 SPBio_000046 CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C09 compound treatment -0.0067 -0.00641 -0.63 -0.0082 -0.00823 -0.62 -0.8868 -1.0 736 SPBio_000047 COC(=O)C(N)CS 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C10 compound treatment 0.0102 0.0105 1.04 -0.0012 -0.00123 -0.09 0.6693 0.6412 1000124 SPBio_000048 CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C11 compound treatment -0.0208 -0.0204 -2.02 -0.0303 -0.0303 -2.29 -3.0425 -0.998 978 SPBio_000049 COC(=O)C(C)C[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C12 compound treatment 0.0143 0.0146 1.44 0.0107 0.0107 0.81 1.5874 0.9632 997 SPBio_000050 NCc1ccc(cc1)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C13 compound treatment 0.0022 0.00254 0.25 0.0018 0.00177 0.13 0.2714 0.9564 2069271 SPBio_000051 C[C@H](N)[C@H](O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C14 compound treatment -0.0028 -0.00246 -0.24 -0.0032 -0.00323 -0.24 -0.3444 -1.0 1252 SPBio_000052 CC(C)NCC(O)c1cc(O)cc(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C15 compound treatment 0.0042 0.00454 0.45 0.0028 0.00277 0.21 0.4642 0.9399 1404 SPBio_000053 Nc1ccc(N=Nc2ccccc2)c(N)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C16 compound treatment 0.0032 0.00354 0.35 -0.0032 -0.00323 -0.24 0.0741 0.1742 1485 SPBio_000054 CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C17 compound treatment 0.0052 0.00554 0.55 -0.0062 -0.00623 -0.47 0.0535 0.0742 1090918 SPBio_000055 Cc1nc(C)c(Cl)c(O)c1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C18 compound treatment 0.0193 0.0196 1.93 0.0127 0.0127 0.96 2.043 0.9481 1292 SPBio_000056 O=c1[nH]cnc2[nH]ncc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C19 compound treatment -0.0267 -0.0264 -2.6 -0.0313 -0.0313 -2.36 -3.5119 -0.9988 3182 SPBio_000057 CCCc1cc(ccn1)C(=S)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C20 compound treatment 0.0073 0.00756 0.75 0.0048 0.00477 0.36 0.7816 0.9443 1332 SPBio_000058 NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C21 compound treatment -0.0018 -0.00146 -0.14 8.0E-4 7.68E-4 0.06 -0.0609 -0.3919 3199905 SPBio_000059 CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c4c5nc6cc(C)ccn6c5c(NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)C(O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(O)c4c(O)c3C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C22 compound treatment 0.0022 0.00254 0.25 0.0038 0.00377 0.28 0.3783 0.998 3177311 SPBio_000060 C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C23 mock treatment 0.0052 0.00554 0.55 0.0058 0.00577 0.44 0.6941 0.9937 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 C24 mock treatment 0.0062 0.00654 0.64 -0.0032 -0.00323 -0.24 0.2834 0.4111 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D01 mock treatment -0.0038 -0.00346 -0.34 -0.0052 -0.00523 -0.39 -0.5207 -0.9974 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D02 mock treatment 2.0E-4 5.36E-4 0.05 0.0048 0.00477 0.36 0.292 0.8024 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D03 compound treatment 0.0182 0.0186 1.83 0.0167 0.0167 1.26 2.1868 0.9835 2069246 SPBio_000061 Cc1cc(O)c(C=O)c2Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D04 compound treatment 0.0213 0.0216 2.13 0.0187 0.0187 1.41 2.5028 0.9803 2060364 SPBio_000062 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D05 compound treatment -0.0028 -0.00246 -0.24 -0.0022 -0.00223 -0.17 -0.2908 -0.9841 3198309 SPBio_000063 CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C.CC(=O)OCC(O)CC(O)CCCCCCCCCCCC#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D06 compound treatment -0.0018 -0.00146 -0.14 0.0048 0.00477 0.36 0.1527 0.3938 2060372 SPBio_000064 COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C(CC[C@@]4(C)[C@@H](OC(=O)C=C34)c5ccoc5)[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D07 compound treatment -0.0717 -0.0714 -7.05 -0.0953 -0.0953 -7.19 -10.0696 -0.9999 2060203 SPBio_000065 CCOC(=O)c1c(C)cc(O)c(C)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D08 compound treatment 0.0023 0.00261 0.26 -0.0023 -0.0023 -0.17 0.0589 0.1899 2060145 SPBio_000066 CC1(C)C2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)[C@@]2(C)C=CC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D09 compound treatment -0.0038 -0.00346 -0.34 -0.0012 -0.00123 -0.09 -0.3073 -0.868 2060100 SPBio_000067 OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D10 compound treatment -0.0077 -0.00744 -0.73 -0.0062 -0.00623 -0.47 -0.8519 -0.9769 2060127 SPBio_000068 COC1CC2=C3C[C@H]4C(=O)C(C)(C)[C@H](CC(=O)OC)[C@@](C)(C3CC[C@@]2(C)[C@@H](O1)c5ccoc5)C4=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D11 compound treatment 0.0063 0.00656 0.65 0.0078 0.00777 0.59 0.872 0.9988 1017609 SPBio_000069 CC(=CCc1c(O)c2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc(O)cc4)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D12 compound treatment -0.0187 -0.0184 -1.82 -0.0143 -0.0143 -1.08 -2.0467 -0.969 2060118 SPBio_000070 COC(=O)CC1C(C)(C)C(O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D13 compound treatment -0.0217 -0.0214 -2.11 0.0127 0.0127 0.96 -0.8147 -0.3511 2069330 SPBio_000071 COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OC)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D14 compound treatment 0.0022 0.00254 0.25 0.0028 0.00277 0.21 0.3249 0.9959 2060121 SPBio_000072 COC(=O)C[C@H]1C(C)(C)C2(Cl)O[C@]34CC2C(=O)[C@]1(C)C4CC[C@@]5(C)[C@@H](OC(=O)C=C35)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D15 compound treatment 2.0E-4 5.36E-4 0.05 -0.0022 -0.00223 -0.17 -0.0817 -0.4628 2060495 SPBio_000073 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3c4c(O)c(O)c(O)cc4[C@H]5Oc6cc(O)cc(O)c6C[C@H]5OC(=O)c7cc(O)c(O)c(O)c7 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D16 compound treatment 0.0032 0.00354 0.35 0.0028 0.00277 0.21 0.3944 0.97 2060150 SPBio_000074 CC1(C)[C@H](O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]3(C)OC(=O)CC12)c5ccoc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D17 compound treatment -0.0017 -0.00139 -0.14 -3.0E-4 -3.02E-4 -0.02 -0.1133 -0.8132 3173879 SPBio_000075 CC(=CCc1c2OC(C)(C)C=Cc2c(OC(=O)C)c3c(=O)c(OC(=O)C)c(oc13)c4ccccc4)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D18 compound treatment -0.0808 -0.0804 -7.93 -0.0763 -0.0763 -5.76 -9.6831 -0.9876 2060154 SPBio_000076 CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D19 compound treatment 0.0023 0.00261 0.26 7.0E-4 6.98E-4 0.05 0.2191 0.8347 3054809 SPBio_000077 COc1ccc2C(=O)C(Cc3ccc(OC)c(OC(=O)C)c3)COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D20 compound treatment 0.0052 0.00554 0.55 0.0058 0.00577 0.44 0.6941 0.9937 2060037 SPBio_000078 CC(=O)O[C@@H]1CC[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D21 compound treatment 0.0022 0.00254 0.25 0.0018 0.00177 0.13 0.2711 0.9565 2060139 SPBio_000079 COc1ccc([C@@H]2COc3c(OC)c(OC)ccc3C2)c(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D22 compound treatment 0.0022 0.00254 0.25 -2.0E-4 -2.32E-4 -0.02 0.1648 0.6561 2060350 SPBio_000080 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D23 mock treatment 0.0062 0.00654 0.65 0.0068 0.00677 0.51 0.8174 0.9933 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 D24 mock treatment 0.0043 0.00456 0.45 -0.0012 -0.00124 -0.09 0.2518 0.5486 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E01 mock treatment 2.0E-4 5.4E-4 0.05 -0.0012 -0.00123 -0.09 -0.0281 -0.2622 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E02 mock treatment 0.0022 0.00254 0.25 0.0048 0.00477 0.36 0.4316 0.9843 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E03 compound treatment 0.0133 0.0136 1.34 0.0157 0.0157 1.19 1.7846 0.9982 1014792 SPBio_000081 OC(=O)c1cc2ccccc2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E04 compound treatment -0.0068 -0.00646 -0.64 -0.0113 -0.0113 -0.85 -1.0531 -0.9898 1365 SPBio_000082 CN(C)CCC=C1c2ccccc2CCc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E05 compound treatment -0.0277 -0.0274 -2.7 -0.0315 -0.0315 -2.38 -3.5924 -0.998 3173210 SPBio_000083 CO/N=C(\C(=O)NC1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nc(=O)c(=O)[nH]n3C)/c4csc(N)n4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E06 compound treatment -0.0018 -0.00146 -0.14 -2.0E-4 -2.36E-4 -0.02 -0.1146 -0.7884 3173722 SPBio_000084 NCC[C@@H](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]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)C3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E07 compound treatment -0.0078 -0.00746 -0.74 -2.0E-4 -2.32E-4 -0.02 -0.533 -0.7237 1310 SPBio_000085 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](OP(=O)(O)O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E08 compound treatment 0.0063 0.00656 0.65 8.0E-4 7.68E-4 0.06 0.4983 0.7674 712 SPBio_000086 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E09 compound treatment 2.0E-4 5.36E-4 0.05 -0.0042 -0.00423 -0.32 -0.1885 -0.5821 1010201 SPBio_000087 ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E10 compound treatment 0.0032 0.00356 0.35 0.0057 0.00572 0.43 0.5533 0.9947 679 SPBio_000088 CC(=O)Nc1cc(ccc1O)[As](=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E11 compound treatment -0.0137 -0.0134 -1.32 -0.0113 -0.0113 -0.85 -1.5375 -0.9776 193 SPBio_000089 COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)cc5)c4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E12 compound treatment -0.0147 -0.0144 -1.42 -0.0143 -0.0143 -1.08 -1.7674 -0.9909 995 SPBio_000090 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E13 compound treatment -0.0077 -0.00739 -0.73 -0.0063 -0.0063 -0.48 -0.8521 -0.9786 2801 SPBio_000091 CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E14 compound treatment -0.0078 -0.00746 -0.74 -0.0122 -0.0122 -0.92 -1.1736 -0.9937 1141 SPBio_000092 CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E15 compound treatment -0.0297 -0.0294 -2.9 -0.0323 -0.0323 -2.44 -3.7768 -0.9962 3199906 SPBio_000093 CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(=C/[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)/C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E16 compound treatment 0.0032 0.00354 0.35 0.0048 0.00477 0.36 0.5012 0.9999 735 SPBio_000094 NNC(=O)c1ccncc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E17 compound treatment -8.0E-4 -4.64E-4 -0.05 0.0048 0.00477 0.36 0.2222 0.6124 2069298 SPBio_000095 CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E18 compound treatment -0.0067 -0.00641 -0.63 -0.0103 -0.0103 -0.77 -0.9948 -0.995 1519 SPBio_000096 CC1(C)OC(=O)NC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E19 compound treatment 0.0023 0.00261 0.26 0.0047 0.0047 0.35 0.4326 0.9875 3173493 SPBio_000097 CC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E20 compound treatment 0.0022 0.00254 0.25 0.0028 0.00277 0.21 0.3247 0.996 1414 SPBio_000098 CC(=O)NO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E21 compound treatment -0.0087 -0.00839 -0.83 -0.0053 -0.0053 -0.4 -0.8685 -0.9444 1467 SPBio_000099 CCCCOc1ccc(OCCCN2CCOCC2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E22 compound treatment 0.0012 0.00154 0.15 -0.0022 -0.00223 -0.17 -0.0118 -0.0518 1035 SPBio_000100 Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E23 mock treatment 0.0022 0.00254 0.25 0.0018 0.00177 0.13 0.2714 0.9564 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 E24 mock treatment -0.0028 -0.00246 -0.24 -0.0042 -0.00423 -0.32 -0.3977 -0.9909 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F01 mock treatment 2.0E-4 5.4E-4 0.05 -0.0052 -0.00523 -0.4 -0.2417 -0.6062 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F02 mock treatment -0.0028 -0.00246 -0.24 8.0E-4 7.65E-4 0.06 -0.1308 -0.5242 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F03 compound treatment -0.0097 -0.00939 -0.93 -0.0143 -0.0143 -1.08 -1.4187 -0.9971 3173749 SPBio_000101 COc1cc2OC[C@H]3Oc4c5CC(Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F04 compound treatment -8.0E-4 -4.59E-4 -0.05 -0.0042 -0.00423 -0.32 -0.258 -0.7994 2060160 SPBio_000102 CC(=O)O[C@@H]1CC2C(C)(C)CCC[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F05 compound treatment -0.0048 -0.00446 -0.44 -0.0283 -0.0283 -2.14 -1.822 -0.8352 1008719 SPBio_000103 COC(=O)C(O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F06 compound treatment -0.0197 -0.0194 -1.91 -0.0083 -0.0083 -0.63 -1.7959 -0.8921 2060129 SPBio_000104 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F07 compound treatment -0.0028 -0.00246 -0.24 8.0E-4 7.67E-4 0.06 -0.1309 -0.5239 2060163 SPBio_000105 COc1ccc2C(=O)[C@@H]3[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F08 compound treatment -0.0127 -0.0124 -1.22 -0.0153 -0.0153 -1.15 -1.68 -0.9995 2060365 SPBio_000106 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C3OC3[C@]2(C)C4CC[C@@]5(C)[C@@H](OC(=O)C6OC65[C@]14C)c7ccoc7 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F09 compound treatment 0.0032 0.00354 0.35 0.0028 0.00277 0.21 0.3944 0.97 2060165 SPBio_000107 COc1cc2OCc3oc4c5CC(Oc5ccc4c(=O)c3-c2cc1OC)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F10 compound treatment 0.0042 0.00454 0.45 0.0088 0.00877 0.66 0.7846 0.9819 2060162 SPBio_000108 COC(=O)C[C@H]1C(C)(C)[C@@H](O)[C@@H]2CC3=C4C=C(OC)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F11 compound treatment -0.0318 -0.0314 -3.1 -0.0243 -0.0243 -1.83 -3.4894 -0.9685 1372522 SPBio_000109 COc1ccc(cc1)c2coc3cc(OC)ccc3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F12 compound treatment -0.0118 -0.0115 -1.13 -0.0183 -0.0183 -1.38 -1.7755 -0.9951 2060177 SPBio_000110 CC1(C)C2C[C@@H](O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)[C@@]2(C)[C@H]7O[C@H]7C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F13 compound treatment -0.0058 -0.00546 -0.54 -2.0E-4 -2.32E-4 -0.02 -0.3935 -0.7297 2069309 SPBio_000111 COc1cc2OC[C@H]3Oc4c5CCC(C)(C)Oc5ccc4C(=O)[C@H]3c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F14 compound treatment -0.0147 -0.0144 -1.42 -0.0133 -0.0133 -1.0 -1.7128 -0.9852 2060320 SPBio_000112 COc1ccc2CC[C@@H]3CC(=O)CC[C@]3(C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F15 compound treatment -0.0248 -0.0244 -2.41 -0.0083 -0.00828 -0.63 -2.147 -0.862 2060494 SPBio_000113 COc1ccc2C(=O)C(Cc3ccc(OC)c(OC)c3)COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F16 compound treatment -0.003 -0.00269 -0.27 -0.051 -0.051 -3.85 -2.9105 -0.7541 3173369 SPBio_000114 CC(C)c1c(OC(=O)C)ccc2c1CCC3C(C)(C)CCC[C@@]32C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F17 compound treatment 2.0E-4 5.36E-4 0.05 -0.0042 -0.00423 -0.32 -0.1887 -0.5822 2060110 SPBio_000115 COc1ccc(c(OC)c1)c2coc3cc(O)ccc3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F18 compound treatment -0.0077 -0.00741 -0.73 -0.0203 -0.0203 -1.53 -1.5982 -0.943 2060034 SPBio_000116 CC(C)c1c(O)ccc2c1CCC3[C@](C)(CCC[C@@]32C)C=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F19 compound treatment 0.0053 0.00556 0.55 0.0018 0.00177 0.13 0.4819 0.8544 2060102 SPBio_000117 COc1ccc2C(=O)c3cc(OC)c(OC)cc3CC(=O)COc2c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F20 compound treatment 0.0023 0.00261 0.26 -3.0E-4 -3.02E-4 -0.02 0.1657 0.6419 2060126 SPBio_000118 CC(C)c1c(O)ccc2c1CCC3[C@@](C)(CO)CCC[C@@]32C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F21 compound treatment 0.0022 0.00254 0.25 8.0E-4 7.68E-4 0.06 0.2181 0.8484 1059133 SPBio_000119 COc1ccc(C(=O)c2ccccc2)c(O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F22 compound treatment -0.0018 -0.00146 -0.14 0.0038 0.00377 0.28 0.0993 0.3114 3053987 SPBio_000120 CC(=O)C1CC[C@H]2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F23 mock treatment -8.0E-4 -4.61E-4 -0.05 0.0028 0.00277 0.21 0.1156 0.5407 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 F24 mock treatment -0.0068 -0.00646 -0.64 0.0028 0.00277 0.21 -0.303 -0.4517 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G01 mock treatment 0.0032 0.00354 0.35 0.0018 0.00177 0.13 0.3412 0.9129 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G02 mock treatment 0.0042 0.00454 0.45 8.0E-4 7.65E-4 0.06 0.3575 0.7918 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G03 compound treatment 0.0042 0.00454 0.45 0.0017 0.0017 0.13 0.4071 0.8745 2060144 SPBio_000121 COc1cccc(c1)c2cc(=O)c3cc(OC)ccc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G04 compound treatment 0.0113 0.0116 1.14 0.0077 0.0077 0.58 1.2205 0.9506 696 SPBio_000122 Oc1cccc2Cc3cccc(O)c3C(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G05 compound treatment -0.0347 -0.0344 -3.39 0.0038 0.00377 0.28 -2.1992 -0.6456 3077146 SPBio_000123 CN[C@@H]1[C@@H](O)C(OC2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](C(C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)OC[C@]1(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G06 compound treatment -0.0257 -0.0254 -2.51 -0.0453 -0.0453 -3.42 -4.192 -0.9885 1124 SPBio_000124 CN1C2CC[C@@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G07 compound treatment 0.0052 0.00554 0.55 0.0028 0.00277 0.21 0.5339 0.9131 3077147 SPBio_000125 CC(O)Cn1c(C)ncc1[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G08 compound treatment -0.0348 -0.0344 -3.4 -0.0243 -0.0243 -1.83 -3.6987 -0.9581 1247 SPBio_000126 Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G09 compound treatment 2.0E-4 5.36E-4 0.05 -2.0E-4 -2.32E-4 -0.02 0.025 0.4493 1461079 SPBio_000127 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCN(C)CC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G10 compound treatment 0.0072 0.00754 0.74 0.0028 0.00277 0.21 0.6733 0.8719 1327 SPBio_000128 C[N+](C)(C)CCOC(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G11 compound treatment 0.0042 0.00454 0.45 -0.0012 -0.00123 -0.09 0.2507 0.5484 3480340 SPBio_000129 c1cn(cn1)C(c2ccccc2)c3ccc(cc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G12 compound treatment -0.0108 -0.0105 -1.03 -0.0113 -0.0113 -0.85 -1.3321 -0.9954 1432 SPBio_000130 CN(C)CCOC(C)(c1ccccc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G13 compound treatment 0.0073 0.00756 0.75 -0.0082 -0.00823 -0.62 0.0876 0.0902 3199907 SPBio_000131 OC(=O)c1cn(c2ccc(F)cc2)c3cc(N4CCNCC4)c(F)cc3c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G14 compound treatment 0.0032 0.00354 0.35 0.0048 0.00477 0.36 0.5014 0.9999 873 SPBio_000132 Nc1nc(=O)c2N(C=O)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G15 compound treatment 0.0042 0.00454 0.45 0.0048 0.00477 0.36 0.571 0.9942 1007083 SPBio_000133 Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G16 compound treatment -0.0147 -0.0144 -1.42 -0.0093 -0.0093 -0.7 -1.5005 -0.9473 1513 SPBio_000134 CCOC(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G17 compound treatment -0.0057 -0.00541 -0.53 -0.0012 -0.00123 -0.09 -0.4434 -0.8179 1008492 SPBio_000135 O=C(CC(=O)c1ccccc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G18 compound treatment -0.0047 -0.00439 -0.43 -0.0143 -0.0143 -1.08 -1.0699 -0.9196 1000042 SPBio_000136 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G19 compound treatment 0.0103 0.0106 1.04 0.0058 0.00577 0.44 1.0442 0.9252 3480338 SPBio_000137 OC(=O)C(Cc1cc(=O)[nH]c2ccccc12)NC(=O)c3ccc(Cl)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G20 compound treatment 0.0103 0.0106 1.05 0.0127 0.0127 0.96 1.4187 0.9991 3172713 SPBio_000138 CO/N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)\c3csc(N)n3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G21 compound treatment 0.0113 0.0116 1.14 0.0137 0.0137 1.04 1.5384 0.9989 903 SPBio_000139 COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G22 compound treatment -8.0E-4 -4.61E-4 -0.05 0.0078 0.00777 0.59 0.3825 0.6504 1336 SPBio_000140 CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G23 mock treatment 0.0052 0.00554 0.55 -0.0022 -0.00223 -0.17 0.2672 0.4673 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 G24 mock treatment -0.0018 -0.00146 -0.14 0.0018 0.00177 0.13 -0.0077 -0.0394 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H01 mock treatment -0.0058 -0.00546 -0.54 -0.0032 -0.00323 -0.24 -0.5534 -0.9359 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H02 mock treatment 0.0022 0.00254 0.25 0.0038 0.00377 0.28 0.3782 0.998 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H03 compound treatment 0.0092 0.00954 0.94 0.0078 0.00777 0.59 1.08 0.9741 2060106 SPBio_000141 COc1cc(cc(OC)c1OC)c2coc3cc(OC)c(OC)c(OC)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H04 compound treatment -0.0028 -0.00246 -0.24 0.0037 0.00372 0.28 0.0267 0.0718 3173992 SPBio_000142 CC(C)c1c(O)ccc2c1CCC3C(C)(C)CCC[C@@]32C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H05 compound treatment 0.0102 0.0105 1.04 0.0038 0.00377 0.28 0.9361 0.8687 3054981 SPBio_000143 COc1ccc(cc1)c2cc(=O)c3c(OC(=O)C)cc(OC(=O)C)cc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H06 compound treatment 0.0053 0.00561 0.55 0.0047 0.0047 0.35 0.6418 0.977 2060280 SPBio_000144 C[C@H]1C2C(CC3C4CC[C@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(=O)C)O[C@]61CCC(C)CO6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H07 compound treatment -0.0488 -0.0484 -4.78 -0.0513 -0.0513 -3.87 -6.1165 -0.9945 3054030 SPBio_000145 Oc1cc(O)cc(/C=C/c2ccccc2)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H08 compound treatment -0.0257 -0.0254 -2.51 -0.0273 -0.0273 -2.06 -3.2274 -0.9952 3174366 SPBio_000146 C[C@H]1C2C(CC3C4CC[C@@H]5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(=O)C)O[C@]61CCC(C)CO6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H09 compound treatment -0.0028 -0.00246 -0.24 -0.0062 -0.00623 -0.47 -0.5043 -0.9526 3055207 SPBio_000147 COc1cc(O)cc(/C=C/c2ccccc2)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H10 compound treatment -0.0257 -0.0254 -2.5 -0.0303 -0.0303 -2.29 -3.3888 -0.999 2060351 SPBio_000148 C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@H](CC[C@]5(C)C4=CC(=O)[C@]23C)OC(=O)C)OC61OCC(C)CC6Br 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H11 compound treatment 0.0183 0.0186 1.83 0.0127 0.0127 0.96 1.9734 0.9546 3054032 SPBio_000149 COc1cc(C/C=C/c2ccccc2)c(OC)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H12 compound treatment -0.0137 -0.0134 -1.32 -0.0052 -0.00523 -0.39 -1.2149 -0.8798 2060188 SPBio_000150 C[C@H]1C2C(CC3C4CCC5C[C@@H](O)CCC5(C)C4=CCC23C)OC61CCC(C)CO6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H13 compound treatment 0.0032 0.00356 0.35 0.0078 0.00777 0.59 0.6627 0.9698 2060259 SPBio_000151 COc1ccc2c(=O)c(CC(=O)O)coc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H14 compound treatment 0.0012 0.00154 0.15 -2.0E-4 -2.32E-4 -0.02 0.0949 0.6214 3173999 SPBio_000152 C[C@H]1C2C(CC3C4CC[C@H]5CC(CCC5(C)C4CC(=O)C23C)OC(=O)C)OC61CCC(C)CO6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H15 compound treatment 0.0092 0.00954 0.94 -0.0012 -0.00123 -0.09 0.5996 0.6341 2060294 SPBio_000153 COc1ccc2C(=O)C(Cc3ccc(OC)c(O)c3)COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H16 compound treatment -0.0147 -0.0144 -1.42 -0.0072 -0.00723 -0.55 -1.3933 -0.9134 3054097 SPBio_000154 C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@@]61CC[C@@H](C)CO6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H17 compound treatment 0.0012 0.00154 0.15 0.0057 0.00572 0.43 0.4124 0.9014 2060133 SPBio_000155 COc1cc(cc(O)c1OC)c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H18 compound treatment 0.0012 0.00154 0.15 -0.0052 -0.00523 -0.4 -0.1722 -0.4069 3173995 SPBio_000156 C[C@H]1C2C(O[C@@]31CC[C@@H](C)CO3)C(O)C4C5CC[C@H]6C[C@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[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]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H]%10O)[C@H](O)[C@H]7O)[C@H](O)C[C@]6(C)C5CC[C@]24C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H19 compound treatment 0.0053 0.00556 0.55 0.0028 0.00277 0.21 0.5353 0.9126 3054129 SPBio_000157 CO[C@@H]1CC2N3CC(O)C2(C=C1)c4cc5OCOc5c(OC)c4C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H20 compound treatment 3.0E-4 6.06E-4 0.06 7.0E-4 6.98E-4 0.05 0.0796 0.998 1355 SPBio_000158 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H21 compound treatment 0.0233 0.0236 2.32 -0.0012 -0.00123 -0.09 1.5773 0.6782 2060069 SPBio_000159 COc1cc(cc(O)c1OC)c2coc3cc(OCc4ccccc4)c(OC)c(O)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H22 compound treatment 0.0083 0.00861 0.85 0.0077 0.00772 0.58 1.0123 0.9831 2060207 SPBio_000160 CC1(C)[C@H](O)C[C@H](O)[C@@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H23 mock treatment 0.0082 0.00854 0.84 8.0E-4 7.64E-4 0.06 0.6364 0.7538 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 H24 mock treatment -0.0048 -0.00446 -0.44 0.0018 0.00177 0.13 -0.2169 -0.4716 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I01 mock treatment -0.0048 -0.00446 -0.44 -0.0042 -0.00423 -0.32 -0.537 -0.9876 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I02 mock treatment 0.0042 0.00454 0.45 -0.0062 -0.00623 -0.47 -0.0161 -0.0248 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I03 compound treatment 0.0022 0.00254 0.25 -2.0E-4 -2.36E-4 -0.02 0.1645 0.6552 2060260 SPBio_000161 COc1ccc(cc1)C2CC(=O)c3ccc(OC)cc3O2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I04 compound treatment -0.0048 -0.00446 -0.44 -0.0112 -0.0112 -0.85 -0.9109 -0.9534 759 SPBio_000162 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I05 compound treatment 0.0022 0.00254 0.25 0.0048 0.00477 0.36 0.4316 0.9843 2335 SPBio_000163 COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I06 compound treatment 0.0092 0.00954 0.94 0.0087 0.00872 0.66 1.1308 0.9847 807 SPBio_000164 CCCc1ncc(C[n+]2ccccc2C)c(N)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I07 compound treatment 0.0123 0.0126 1.24 0.0157 0.0157 1.19 1.7149 0.9998 1025940 SPBio_000165 Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I08 compound treatment 0.0043 0.00461 0.45 0.0027 0.0027 0.2 0.4653 0.9345 1381 SPBio_000166 Nc1ccc(cc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I09 compound treatment 0.0012 0.00154 0.15 8.0E-4 7.65E-4 0.06 0.148 0.9126 2516 SPBio_000167 CC(C)OC(=O)Nc1cccc(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I10 compound treatment -0.0168 -0.0164 -1.62 -0.0173 -0.0173 -1.3 -2.0695 -0.9942 1303 SPBio_000168 C[N+]1(CCC2CC1)CC2OC(=O)C(O)(c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I11 compound treatment 0.0022 0.00254 0.25 0.0028 0.00277 0.21 0.3246 0.9959 2069315 SPBio_000169 COc1cc(OC)c2c(=O)c(coc2c1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I12 compound treatment 0.0052 0.00554 0.55 0.0028 0.00277 0.21 0.5339 0.9131 1019 SPBio_000170 NC(=O)N1c2ccccc2C=Cc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I13 compound treatment 2.0E-4 5.36E-4 0.05 8.0E-4 7.68E-4 0.06 0.0784 0.999 2060112 SPBio_000171 COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I14 compound treatment 2.0E-4 5.36E-4 0.05 -0.0012 -0.00123 -0.09 -0.0283 -0.2649 1400 SPBio_000172 CC(C)[C@@H](C)/C=C/[C@@H](C)C1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I15 compound treatment 0.0082 0.00854 0.84 0.0018 0.00177 0.13 0.6898 0.8089 1602 SPBio_000173 COc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I16 compound treatment -0.0058 -0.00546 -0.54 -0.0022 -0.00223 -0.17 -0.5001 -0.886 1000114 SPBio_000174 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I17 compound treatment 0.0042 0.00454 0.45 -0.0022 -0.00223 -0.17 0.1973 0.4126 2069308 SPBio_000175 CC(=CCc1c(O)cc2occ(c3ccc4OCOc4c3)c(=O)c2c1O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I18 compound treatment 0.0012 0.00154 0.15 -0.0093 -0.00928 -0.7 -0.3881 -0.5413 1272 SPBio_000176 Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I19 compound treatment 0.0022 0.00254 0.25 0.0018 0.00177 0.13 0.2713 0.9567 1534 SPBio_000177 O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I20 compound treatment 0.0033 0.00361 0.36 -0.0013 -0.0013 -0.1 0.182 0.4933 1000138 SPBio_000178 CC(C)Cc1ccc(cc1)C(C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I21 compound treatment -0.0028 -0.00246 -0.24 -0.0062 -0.00623 -0.47 -0.5043 -0.9526 2060354 SPBio_000179 COc1ccc(cc1)c2coc3cc(OC(=O)C)cc(OC(=O)C)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I22 compound treatment 0.0032 0.00354 0.35 0.0018 0.00177 0.13 0.3412 0.9129 1157 SPBio_000180 CC(=O)N1CCN(CC1)c2ccc(OCC3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I23 mock treatment 0.0052 0.00554 0.55 0.0028 0.00277 0.21 0.5339 0.9131 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 I24 mock treatment 2.0E-4 5.36E-4 0.05 0.0028 0.00277 0.21 0.1851 0.8591 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J01 mock treatment -0.0018 -0.00146 -0.14 -0.0142 -0.0142 -1.07 -0.8616 -0.7948 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J02 mock treatment -0.0038 -0.00346 -0.34 -0.0062 -0.00623 -0.47 -0.5743 -0.9876 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J03 compound treatment 0.0012 0.00154 0.15 -0.0072 -0.00723 -0.55 -0.2789 -0.4921 2120750 SPBio_000181 CC(C)C(C)/C=C/C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J04 compound treatment -0.0018 -0.00146 -0.14 -0.0022 -0.00223 -0.17 -0.2211 -0.9969 2060212 SPBio_000182 CC1(C)[C@H](O)CC(=O)[C@@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J05 compound treatment 0.0083 0.00856 0.84 -2.0E-4 -2.32E-4 -0.02 0.5844 0.6923 2060070 SPBio_000183 COc1c(O)cc(O)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J06 compound treatment -0.0018 -0.00146 -0.14 -0.0012 -0.00123 -0.09 -0.1678 -0.9778 3054128 SPBio_000184 COC1C[C@H]2N3CC(O)C2(C=C1)c4cc5OCOc5cc4C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J07 compound treatment -0.0057 -0.00539 -0.53 -0.0093 -0.0093 -0.7 -0.8728 -0.9906 3177381 SPBio_000185 Oc1ccc(cc1)C(=O)/C=C/c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J08 compound treatment 0.0033 0.00361 0.36 0.0067 0.0067 0.51 0.6091 0.9852 2060036 SPBio_000186 CC1=CCc2c(O)c3c(=O)cc(C)oc3cc2OC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J09 compound treatment -0.0068 -0.00646 -0.64 -0.0052 -0.00523 -0.39 -0.7301 -0.9735 2060263 SPBio_000187 COc1ccc(C(=O)c2ccc(O)cc2)c(O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J10 compound treatment -0.0108 -0.0105 -1.03 -0.0102 -0.0102 -0.77 -1.276 -0.9898 2060187 SPBio_000188 COc1cccc(/C=C/C(=O)O)c1C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J11 compound treatment -0.0018 -0.00146 -0.14 0.0058 0.00577 0.44 0.2058 0.4487 1032994 SPBio_000189 O=C1CC(Oc2ccccc12)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J12 compound treatment -0.0048 -0.00446 -0.44 0.0038 0.00377 0.28 -0.1101 -0.2101 2060117 SPBio_000190 Cc1ccc2c(CC[C@H]3CC(=O)CC[C@@]32C)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J13 compound treatment -0.0028 -0.00246 -0.24 -0.0062 -0.00623 -0.47 -0.5045 -0.9528 2060208 SPBio_000191 COC(=O)C[C@H]1C(C)(C)[C@@H](O)[C@@H]2CC3=C4CC(O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J14 compound treatment -0.0127 -0.0124 -1.23 -0.0123 -0.0123 -0.93 -1.5236 -0.9904 2060158 SPBio_000192 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](OC(=O)C)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J15 compound treatment 0.0092 0.00954 0.94 -0.0022 -0.00223 -0.17 0.546 0.5714 3058620 SPBio_000193 O[C@@H](C(=O)O)[C@@](O)(Cc1ccc(O)cc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J16 compound treatment 0.0032 0.00354 0.35 -2.0E-4 -2.36E-4 -0.02 0.2343 0.6702 2060153 SPBio_000194 COc1cccc2c1CCC3=CC(=O)CC[C@@]32C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J17 compound treatment -0.1631 -0.163 -16.05 -0.1738 -0.174 -13.12 -20.6283 -0.995 2060238 SPBio_000195 Cc1cc(O)cc(O)c1C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)O)c(O)c3)c(O)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J18 compound treatment -0.0017 -0.00139 -0.14 0.0027 0.0027 0.2 0.0468 0.1906 3173991 SPBio_000196 C[C@@]12CCC3C(CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]2(O)C[C@H](O)[C@@H]1C5=CC(=O)OC5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J19 compound treatment -0.0018 -0.00146 -0.14 -0.0012 -0.00124 -0.09 -0.1681 -0.9777 2060216 SPBio_000197 COc1cc2OC[C@H]3Oc4c(ccc5oc(cc45)C(C)C)C(=O)[C@H]3c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J20 compound treatment -8.0E-4 -4.63E-4 -0.05 -0.0012 -0.00123 -0.09 -0.0981 -0.9462 2060214 SPBio_000198 COc1c(ccc2OC(C)(C)C=Cc12)c3coc4cc5OC(C)(C)C(O)Cc5cc4c3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J21 compound treatment -0.0087 -0.00841 -0.83 -0.0032 -0.00325 -0.25 -0.7604 -0.8786 2060242 SPBio_000199 COc1ccc(cc1)c2cc(=O)c3c(O)c(OC)c(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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J22 compound treatment 2.0E-4 5.41E-4 0.05 -0.0042 -0.00423 -0.32 -0.1882 -0.5811 3077173 SPBio_000200 CCOc1ccc(cc1)C(=O)c2ccc(OC)c(O)c2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J23 mock treatment 0.0042 0.00454 0.45 -0.0042 -0.00423 -0.32 0.0907 0.1648 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 J24 mock treatment -0.0068 -0.00646 -0.64 8.0E-4 7.64E-4 0.06 -0.41 -0.6405 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K01 mock treatment -0.0018 -0.00146 -0.14 -0.0122 -0.0122 -0.92 -0.7548 -0.8076 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K02 mock treatment -0.0088 -0.00844 -0.83 -0.0032 -0.00323 -0.24 -0.7615 -0.8774 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K03 compound treatment 2.0E-4 5.4E-4 0.05 -0.0032 -0.00323 -0.24 -0.1349 -0.5399 1403 SPBio_000201 COC(=O)C1=CCCN(C)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K04 compound treatment 0.0113 0.0116 1.14 -0.0052 -0.00523 -0.39 0.527 0.4367 1167 SPBio_000202 NCCCCCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K05 compound treatment -0.0177 -0.0174 -1.72 -0.0173 -0.0173 -1.3 -2.139 -0.9907 1013706 SPBio_000203 O=c1c2ccccc2oc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K06 compound treatment 2.0E-4 5.36E-4 0.05 0.0117 0.0117 0.88 0.663 0.7481 834 SPBio_000204 CC(C[N+](C)(C)C)OC(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K07 compound treatment 0.0053 0.00561 0.55 -0.0102 -0.0102 -0.77 -0.1552 -0.1633 592 SPBio_000205 Oc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K08 compound treatment -0.0127 -0.0124 -1.22 -0.0193 -0.0193 -1.46 -1.8948 -0.9962 1059 SPBio_000206 CN(C)CC/C=C\1/c2ccccc2COc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K09 compound treatment 0.0022 0.00254 0.25 -0.0012 -0.00123 -0.09 0.1112 0.4164 2069329 SPBio_000207 COc1cc(O)c2c(=O)cc(oc2c1)c3ccc(OC)c(c3)c4c(O)cc(O)c5c(=O)cc(oc45)c6ccc(O)cc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K10 compound treatment -0.0058 -0.00546 -0.54 -0.0123 -0.0123 -0.93 -1.0365 -0.9666 1373 SPBio_000208 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K11 compound treatment 0.0012 0.00154 0.15 -0.0052 -0.00523 -0.39 -0.1721 -0.4067 2069249 SPBio_000209 COc1ccc(cc1)c2coc3c(O)c(OC)ccc3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K12 compound treatment -0.0117 -0.0114 -1.13 0.0047 0.00472 0.36 -0.5461 -0.4615 1360 SPBio_000210 Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K13 compound treatment -0.0078 -0.00746 -0.74 -0.0012 -0.00123 -0.09 -0.5865 -0.7903 1250 SPBio_000211 COc1cc(C)c2c(=O)cc(oc2c1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K14 compound treatment -0.0098 -0.00946 -0.93 -0.0112 -0.0112 -0.85 -1.2597 -0.9988 1396 SPBio_000212 Cc1cc(O)cc(C)c1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K15 compound treatment -0.0028 -0.00246 -0.24 -2.0E-4 -2.32E-4 -0.02 -0.1842 -0.7561 1672652 SPBio_000213 COc1ccc(cc1)c2cc(=O)c3ccc(OC)cc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K16 compound treatment 2.0E-4 5.41E-4 0.05 -0.0103 -0.0103 -0.78 -0.5112 -0.657 2069266 SPBio_000214 CNC(C)[C@H](O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K17 compound treatment -0.0018 -0.00146 -0.14 7.0E-4 6.98E-4 0.05 -0.0648 -0.4217 2069226 SPBio_000215 COc1ccc2-c3oc4cc(OC)ccc4c3COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K18 compound treatment -0.0098 -0.00946 -0.93 -0.0082 -0.00823 -0.62 -1.0993 -0.9805 1445 SPBio_000216 C/C=C(/C)\C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]2(C[C@@]5(O)[C@@H]6CN7C[C@@H](C)CC[C@H]7[C@@](C)(O)[C@@]6(O)[C@@H](O)C[C@@]45O)O[C@@]31O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K19 compound treatment 0.0103 0.0106 1.04 0.0077 0.00772 0.58 1.1483 0.9624 353 SPBio_000217 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K20 compound treatment -0.0018 -0.00146 -0.14 0.0028 0.00277 0.21 0.0458 0.1802 1476 SPBio_000218 CNCCCC1(CCC2c3ccccc31)c4ccccc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K21 compound treatment 0.0062 0.00654 0.65 -0.0012 -0.00123 -0.09 0.3904 0.599 1116 SPBio_000219 S=c1[nH]cnc2nc[nH]c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K22 compound treatment -0.0707 -0.0704 -6.95 -0.0813 -0.0813 -6.14 -9.2525 -0.9981 1095 SPBio_000220 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K23 mock treatment -0.0068 -0.00646 -0.64 -2.0E-4 -2.36E-4 -0.02 -0.4634 -0.7266 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 K24 mock treatment -0.0078 -0.00746 -0.74 -0.0042 -0.00423 -0.32 -0.7463 -0.9302 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L01 mock treatment -0.0138 -0.0134 -1.33 -0.0082 -0.00823 -0.62 -1.3771 -0.9403 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L02 mock treatment -0.0058 -0.00546 -0.54 -0.0103 -0.0103 -0.78 -0.9298 -0.9841 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L03 compound treatment -0.0307 -0.0304 -3.0 -0.0302 -0.0303 -2.28 -3.7349 -0.991 1090422 SPBio_000221 Cc1cc(O)cc(O)c1C(=O)Oc2cc(C)c(C(=O)O)c(O)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L04 compound treatment -0.0028 -0.00246 -0.24 -0.0062 -0.00623 -0.47 -0.5044 -0.9526 3077174 SPBio_000222 CC(=O)Oc1ccc(cc1)c2cc(=O)c3c(OC(=O)C)cc(OC(=O)C)cc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L05 compound treatment -0.0048 -0.00446 -0.44 0.0078 0.00777 0.59 0.1036 0.1413 2060043 SPBio_000223 COc1cc(OC)c(Cl)c2OC3(C(C)CC(=O)C=C3O)C(=O)c21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L06 compound treatment -8.0E-4 -4.59E-4 -0.05 -0.0062 -0.00623 -0.47 -0.3647 -0.7717 3077175 SPBio_000224 COc1ccc2C(=O)/C(=C\c3ccc(O)c(O)c3)/COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L07 compound treatment 0.0023 0.00261 0.26 0.0018 0.00177 0.13 0.2762 0.9534 812 SPBio_000225 COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L08 compound treatment 0.0033 0.00361 0.36 -0.0053 -0.00525 -0.4 -0.0288 -0.0541 3054572 SPBio_000226 CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C4C5CC(C)(C)CC[C@@]5(CC[C@]43C)C(=O)O)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L09 compound treatment -0.0028 -0.00246 -0.24 -0.0012 -0.00124 -0.09 -0.2377 -0.9136 1051460 SPBio_000227 COc1cc(C(=O)O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L10 compound treatment -0.0018 -0.00146 -0.14 0.0028 0.00277 0.21 0.0457 0.1799 2060234 SPBio_000228 COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L11 compound treatment -0.0077 -0.00744 -0.73 -0.0042 -0.00423 -0.32 -0.7451 -0.9305 2060040 SPBio_000229 CCOC(=O)C1(O)Oc2cc(OC)cc(OC)c2C(=O)C1c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L12 compound treatment -0.0058 -0.00546 -0.54 0.0087 0.00872 0.66 0.0845 0.0994 2069327 SPBio_000230 COC/1=CC(=O)C(=C\C1=C/C=C/c2ccccc2)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L13 compound treatment -0.0068 -0.00646 -0.64 -2.0E-4 -2.32E-4 -0.02 -0.4632 -0.7262 2069243 SPBio_000231 O/C(=C\C(=O)c1ccccc1O)/c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L14 compound treatment 0.0032 0.00354 0.35 -0.0093 -0.00928 -0.7 -0.2486 -0.3176 3173492 SPBio_000232 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(O)ccc3-c2c(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L15 compound treatment 0.0092 0.00954 0.94 0.0098 0.00977 0.74 1.1866 0.9927 2060463 SPBio_000233 COc1ccc(cc1)c2coc3c(OC)c(OC)cc(O)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L16 compound treatment 0.066 0.0663 6.54 0.0582 0.0582 4.39 7.7317 0.9813 2081025 SPBio_000234 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L17 compound treatment 0.0023 0.00261 0.26 0.0047 0.0047 0.35 0.4326 0.9875 3172979 SPBio_000235 C[C@H]1C2C(CC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@@]61CC[C@@H](C)CO6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L18 compound treatment 0.0012 0.00154 0.15 0.0038 0.00377 0.28 0.3085 0.9568 3058525 SPBio_000236 COc1cc2OC[C@H]3Oc4c5C=CC(C)(C)Oc5ccc4C(=O)[C@H]3c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L19 compound treatment -0.0058 -0.00546 -0.54 -0.0012 -0.00123 -0.09 -0.4468 -0.8173 923 SPBio_000237 NC(=O)NC1NC(=O)NC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L20 compound treatment -0.0018 -0.00146 -0.14 -2.0E-4 -2.32E-4 -0.02 -0.1145 -0.7871 3077176 SPBio_000238 COc1ccc(c(O)c1O)c2coc3cc(O)ccc3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L21 compound treatment -0.0107 -0.0104 -1.03 -0.0082 -0.00823 -0.62 -1.1677 -0.9708 3198310 SPBio_000239 COc1ccc([C@H]2COc3c(OC)c(O)ccc3C2)c(OC)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L22 compound treatment -0.0028 -0.00246 -0.24 -0.0032 -0.00323 -0.24 -0.3442 -1.0 3077177 SPBio_000240 CC(=O)OCC(O)CC(=O)CCCCCCCCCCCC#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L23 mock treatment 2.0E-4 5.41E-4 0.05 -0.0022 -0.00223 -0.17 -0.0815 -0.4609 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 L24 mock treatment -0.0038 -0.00346 -0.34 -2.0E-4 -2.36E-4 -0.02 -0.254 -0.743 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M01 mock treatment 0.0072 0.00754 0.74 0.0048 0.00477 0.36 0.7801 0.9446 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M02 mock treatment 0.0143 0.0146 1.44 0.0038 0.00377 0.28 1.2164 0.831 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M03 compound treatment 0.0163 0.0166 1.63 0.0347 0.0347 2.62 3.0083 0.9741 3177464 SPBio_000241 NCCCC(N)CC(=O)NCC1NC(=O)C(CO)NC(=O)C(N)CNC(=O)C(NC(=O)/C(=C\NC(=O)N)/NC1=O)C2CCNC(=N)N2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M04 compound treatment 0.0563 0.0566 5.58 -0.0022 -0.00223 -0.17 3.8258 0.6854 984 SPBio_000242 C[C@H]1CC2C3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)C2[C@@]4(C)CCC(=O)C=C14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M05 compound treatment 0.0343 0.0346 3.41 0.0078 0.00777 0.59 2.8251 0.8167 1149 SPBio_000243 CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M06 compound treatment -0.0118 -0.0115 -1.13 -0.0022 -0.00223 -0.17 -0.9187 -0.8036 1011303 SPBio_000244 CN1CCc2cccc-3c2C1Cc4ccc(O)c(O)c43 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M07 compound treatment 0.0113 0.0116 1.14 -0.0023 -0.0023 -0.17 0.6867 0.593 3173471 SPBio_000245 C[C@@]12CCC3C(CCc4cc(O)ccc34)C2CC[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M08 compound treatment 0.0083 0.00861 0.85 0.0027 0.0027 0.2 0.7443 0.8526 980 SPBio_000246 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M09 compound treatment 0.0123 0.0126 1.24 0.0028 0.00277 0.21 1.0236 0.8149 430 SPBio_000247 NC(=O)NO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M10 compound treatment 0.0012 0.00154 0.15 0.0058 0.00577 0.44 0.4151 0.9002 1481 SPBio_000248 Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc4ccccc14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M11 compound treatment 0.0082 0.00854 0.84 -0.0032 -0.00323 -0.24 0.423 0.4824 1295 SPBio_000249 OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M12 compound treatment -0.0137 -0.0134 -1.32 -0.0113 -0.0113 -0.85 -1.5389 -0.9775 3045196 SPBio_000250 CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M13 compound treatment 0.0302 0.0306 3.01 0.0077 0.00772 0.58 2.5433 0.8285 892 SPBio_000251 C[n+]1c2cc(N)ccc2cc3ccc(N)cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M14 compound treatment -0.0087 -0.00839 -0.83 0.0017 0.0017 0.13 -0.4948 -0.5906 1309 SPBio_000252 Cc1cc(C2CCCCC2)n(O)c(=O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M15 compound treatment -0.0058 -0.00546 -0.54 -0.0082 -0.00823 -0.62 -0.8204 -0.9975 1437 SPBio_000253 CS(=O)(=O)OCCCCOS(=O)(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M16 compound treatment -0.0017 -0.00139 -0.14 -0.0013 -0.0013 -0.1 -0.1667 -0.9865 1110 SPBio_000254 C[C@H]1CC2C3CC[C@](OC(=O)C)(C(=O)C)[C@@]3(C)CCC2[C@@]4(C)CCC(=O)C=C14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M17 compound treatment 0.0123 0.0126 1.24 0.0557 0.0557 4.21 3.8502 0.878 1198 SPBio_000255 Cn1cnc([N+](=O)[O-])c1Sc2[nH]cnc3ncnc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M18 compound treatment 0.0022 0.00254 0.25 -0.0052 -0.00523 -0.4 -0.1025 -0.2192 1138 SPBio_000256 CC/C(=C(/CC)\c1ccc(O)cc1)/c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M19 compound treatment 0.0103 0.0106 1.04 0.0187 0.0187 1.41 1.7357 0.9887 3174477 SPBio_000257 CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6CC(=O)C(NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c7ccc(O)c(c7)-c8c(O)cc(O)cc8[C@@H](NC6=O)C(=O)O)c3O[C@@H]9OC(CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M20 compound treatment 0.0223 0.0226 2.23 0.0187 0.0187 1.41 2.5727 0.976 982 SPBio_000258 CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M21 compound treatment 0.0323 0.0326 3.21 0.0197 0.0197 1.49 3.3236 0.9389 707 SPBio_000259 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](CCC6C5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M22 compound treatment 0.0263 0.0266 2.62 0.0307 0.0307 2.32 3.4946 0.9981 2114344 SPBio_000260 CC1=C(O)C(=O)C=C2C1=CC=C3[C@@]2(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M23 mock treatment 0.0072 0.00754 0.74 0.0018 0.00177 0.13 0.6202 0.8209 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 M24 mock treatment 0.0193 0.0196 1.93 0.0098 0.00977 0.74 1.8855 0.913 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N01 mock treatment 0.0032 0.00354 0.35 0.0078 0.00777 0.59 0.6615 0.9693 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N02 mock treatment 0.0092 0.00954 0.94 0.0237 0.0237 1.79 1.9315 0.9549 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N03 compound treatment 0.0092 0.00954 0.94 0.0038 0.00377 0.28 0.8665 0.8814 970 SPBio_000261 CC1(C)O[C@]2(C)CC[C@H]1CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N04 compound treatment 0.0533 0.0536 5.29 0.0197 0.0197 1.49 4.7906 0.8721 2060424 SPBio_000262 C[C@@]12CC[C@@H](O)C[C@H]2CCc3ccccc31 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N05 compound treatment 0.0323 0.0326 3.21 0.0038 0.00377 0.28 2.4722 0.7667 893 SPBio_000263 NCC(O)c1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N06 compound treatment 2.0E-4 5.36E-4 0.05 0.0038 0.00377 0.28 0.2386 0.8245 2060300 SPBio_000264 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O)c(c4cc(ccc4OC)c5cc(=O)c6c(O)cc(O)cc6o5)c3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N07 compound treatment 0.0073 0.00756 0.75 0.0057 0.00572 0.43 0.8323 0.9663 2060025 SPBio_000265 CC(=O)O[C@H]1C[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@]32[C@]4(C)[C@@H](CC5C(C)(C)[C@@H](C[C@H](OC(=O)C)[C@]5(C)C14)OC(=O)C)OC(=O)C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N08 compound treatment 0.0113 0.0116 1.14 0.0047 0.00472 0.36 1.0579 0.8858 1010471 SPBio_000266 O=c1ccc2ccccc2o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N09 compound treatment 0.0153 0.0156 1.53 0.0028 0.00277 0.21 1.2328 0.7961 3173997 SPBio_000267 COC(=O)CC1C(C)(C)C(=O)C=CC1(C)C2CC[C@@]3(C)[C@@H](OC(=O)C4OC43C2=C)c5ccoc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N10 compound treatment 0.0023 0.00261 0.26 -0.0073 -0.0073 -0.55 -0.208 -0.342 2060107 SPBio_000268 COC1=C(OC)C(=O)C(=CC1=O)[C@H](C=C)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N11 compound treatment 0.0042 0.00454 0.45 0.0088 0.00877 0.66 0.7845 0.9818 3054122 SPBio_000269 CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@]32[C@@]4(C)C1[C@@]5(C)C=CC(=O)C(C)(C)C5=C(O)C4=O)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N12 compound treatment 0.0103 0.0106 1.04 -2.0E-4 -2.32E-4 -0.02 0.7241 0.6951 2060113 SPBio_000270 Cc1cc(O)cc(O)c1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N13 compound treatment 0.0062 0.00654 0.64 0.0058 0.00577 0.44 0.7638 0.9817 2060028 SPBio_000271 COC(=O)C[C@H]1C2(C)CC3(OC4(C)O[C@@]56[C@H](OC(=O)C)[C@@]3(O)C2OC(=O)C(C)C)[C@]1(C)[C@@]6(O4)[C@H](OC(=O)C)C(OC(=O)C)[C@@]7(C)[C@@H](OC(=O)/C(=C(\O)/C(C)C)/C57)c8ccoc8 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N14 compound treatment -8.0E-4 -4.61E-4 -0.05 0.0088 0.00877 0.66 0.436 0.657 2060136 SPBio_000272 CC(=C)c1cc2cc(C(=O)C)c(O)cc2o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N15 compound treatment 0.0042 0.00454 0.45 0.0018 0.00177 0.13 0.4109 0.8794 2060030 SPBio_000273 COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3C(CC[C@@]4(C)[C@@H](OC(=O)C=C34)c5ccoc5)[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N16 compound treatment 0.0032 0.00354 0.35 0.0277 0.0277 2.09 1.7264 0.8138 1049466 SPBio_000274 COc1cc(C)c2C(=O)Oc3c(C)c(O)c4C(=O)OC(O)c4c3Oc2c1C=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N17 compound treatment 0.0032 0.00356 0.35 0.0067 0.0067 0.51 0.6056 0.984 2060031 SPBio_000275 C[C@]12CCC3[C@@]4(C)C=CC(=O)C(C)(C)C4=C(O)C(=O)[C@@]3(C)[C@]25O[C@@H]5C[C@H]1c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N18 compound treatment 0.0203 0.0206 2.03 0.0147 0.0147 1.11 2.2197 0.9599 1086162 SPBio_000276 COc1c2ccoc2c(OC)c3oc(=O)ccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N19 compound treatment 0.0052 0.00554 0.55 0.0167 0.0167 1.26 1.2786 0.9298 2060035 SPBio_000277 CC1(C)C2C[C@@H](O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)[C@@]2(C)C=CC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N20 compound treatment -0.0077 -0.00744 -0.73 0.0068 0.00677 0.51 -0.1579 -0.1765 3077178 SPBio_000278 CC1CCC2(C)C(CCC=C2C)C1(C)CC/C(=C/Cn3c[n+](C)c4c(N)ncnc34)/C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N21 compound treatment -8.0E-4 -4.61E-4 -0.05 0.0087 0.00872 0.66 0.4333 0.6567 2060230 SPBio_000279 CC(=O)O[C@H]1C[C@@H](O)C(C)(C)C2C[C@@H](OC(=O)C)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)[C@@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N22 compound treatment -0.0018 -0.00146 -0.14 0.0058 0.00577 0.44 0.2061 0.4492 2069254 SPBio_000280 CCCCCc1c(C(=O)O)c(O)cc2OC(=O)c3c(cc(OC)cc3Oc12)C(=O)CCCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N23 mock treatment -0.0018 -0.00146 -0.14 0.0108 0.0108 0.81 0.473 0.5729 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 N24 mock treatment 0.0072 0.00754 0.74 0.0078 0.00777 0.59 0.9404 0.9931 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O01 mock treatment -0.0048 -0.00446 -0.44 -0.0032 -0.00323 -0.24 -0.4839 -0.9613 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O02 mock treatment 2.0E-4 5.36E-4 0.05 0.0038 0.00377 0.28 0.2386 0.8245 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O03 compound treatment -0.0067 -0.00639 -0.63 -0.0083 -0.0083 -0.63 -0.8891 -1.0 3173595 SPBio_000281 C[C@H]1OC(OC/2CC3O[C@@](O)(CC(O)C3C(=O)O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)O[C@@H](C)C(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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O04 compound treatment 0.0143 0.0146 1.44 0.0127 0.0127 0.96 1.6944 0.9808 1002775 SPBio_000282 Cc1cccc(C(=O)O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O05 compound treatment 2.0E-4 5.36E-4 0.05 -0.0022 -0.00223 -0.17 -0.0819 -0.4631 1000036 SPBio_000283 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC4NCCc5cc(OC)c(OC)cc45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O06 compound treatment -0.0377 -0.0374 -3.69 -0.0423 -0.0423 -3.19 -4.8688 -0.9974 3058740 SPBio_000284 CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC32)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O07 compound treatment -0.0058 -0.00546 -0.54 -0.0032 -0.00323 -0.24 -0.5536 -0.9358 1383 SPBio_000285 CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2OC3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O08 compound treatment -0.0177 -0.0174 -1.72 -0.0143 -0.0143 -1.08 -1.9754 -0.9746 943 SPBio_000286 CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O09 compound treatment -0.0068 -0.00646 -0.64 -0.0012 -0.00123 -0.09 -0.5166 -0.8018 1260 SPBio_000287 N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O10 compound treatment -0.0058 -0.00546 -0.54 -0.0032 -0.00323 -0.24 -0.5537 -0.9358 1282 SPBio_000288 NS(=O)(=O)c1cc2c(N=CNS2(=O)=O)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O11 compound treatment 0.0203 0.0206 2.03 0.0227 0.0227 1.72 2.6466 0.9965 1352 SPBio_000289 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O12 compound treatment -0.0267 -0.0264 -2.6 -0.0233 -0.0233 -1.76 -3.0822 -0.9816 1020 SPBio_000290 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O13 compound treatment 0.0083 0.00856 0.84 0.0057 0.00572 0.43 0.9021 0.9515 720 SPBio_000291 Fc1c[nH]c(=O)[nH]c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O14 compound treatment -0.0658 -0.0654 -6.46 -0.0623 -0.0623 -4.7 -7.8895 -0.9879 2069230 SPBio_000292 CN(C)CC[C@H](c1ccc(Cl)cc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O15 compound treatment -8.0E-4 -4.64E-4 -0.05 -0.0042 -0.00423 -0.32 -0.2583 -0.8001 1154 SPBio_000293 O=C1CC2OCC=C3CN4CC[C@]56C4C[C@@H]3[C@@H]2C6N1c7ccccc75 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O16 compound treatment -0.0068 -0.00646 -0.64 -0.0052 -0.00523 -0.39 -0.7301 -0.9735 877 SPBio_000294 CC(C)(Oc1ccc(Cl)cc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O17 compound treatment 0.0182 0.0186 1.83 0.0207 0.0207 1.56 2.4003 0.9969 3177389 SPBio_000295 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O18 compound treatment -0.0108 -0.0105 -1.03 -0.0092 -0.00923 -0.7 -1.2227 -0.9817 907 SPBio_000296 OC(=O)c1cc(O)c2cccc(O)c2n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O19 compound treatment -0.0048 -0.00446 -0.44 -0.0032 -0.00323 -0.24 -0.484 -0.9613 1288 SPBio_000297 CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4cc3[C@H]1C(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O20 compound treatment -0.0167 -0.0164 -1.62 -0.0103 -0.0103 -0.77 -1.6921 -0.9429 1006 SPBio_000298 Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O21 compound treatment -0.0028 -0.00246 -0.24 8.0E-4 7.64E-4 0.06 -0.131 -0.5247 3174227 SPBio_000299 CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45C(O)C3[C@@H]1CC2[C@@H]5N(C)c6ccccc64 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O22 compound treatment -8.0E-4 -4.61E-4 -0.05 0.0028 0.00277 0.21 0.1156 0.5407 3077148 SPBio_000300 CCCCC(=O)Oc1ccccc1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O23 mock treatment -0.0038 -0.00346 -0.34 -0.0022 -0.00223 -0.17 -0.3607 -0.9472 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 O24 mock treatment 0.0012 0.00154 0.15 0.0018 0.00177 0.13 0.2018 0.9979 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P01 mock treatment -0.0048 -0.00446 -0.44 -0.0022 -0.00223 -0.17 -0.4303 -0.9133 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P02 mock treatment 0.0012 0.00154 0.15 8.0E-4 7.68E-4 0.06 0.1482 0.9131 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P03 compound treatment -0.0018 -0.00146 -0.14 -0.0022 -0.00223 -0.17 -0.2213 -0.997 2060147 SPBio_000301 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)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P04 compound treatment -0.0048 -0.00446 -0.44 -0.0133 -0.0133 -1.0 -1.0202 -0.9316 2060138 SPBio_000302 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P05 compound treatment -0.0038 -0.00346 -0.34 -0.0012 -0.00124 -0.09 -0.3076 -0.8684 2060038 SPBio_000303 COC(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)C2CC[C@@]3(C)[C@@H](OC(=O)C=C3C2=C)c4ccoc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P06 compound treatment 2.0E-4 5.36E-4 0.05 -0.0032 -0.00323 -0.24 -0.1353 -0.5413 1098 SPBio_000304 C[C@@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P07 compound treatment 0.0022 0.00254 0.25 0.0048 0.00477 0.36 0.4315 0.9842 2060055 SPBio_000305 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)CC[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P08 compound treatment -0.0078 -0.00746 -0.74 -0.0032 -0.00323 -0.24 -0.6929 -0.8937 2060140 SPBio_000306 COc1cc2occc2c3oc(=O)ccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P09 compound treatment -0.0018 -0.00146 -0.14 0.0078 0.00777 0.59 0.3128 0.518 1609 SPBio_000307 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]54[C@]13C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P10 compound treatment -0.151 -0.151 -14.86 -0.1538 -0.154 -11.61 -18.7213 -0.9925 2060142 SPBio_000308 CC(=O)OC1C/C(=C/CC/C(=C/CC[C@](C)(O)C2CC1C(=C)C(=O)O2)/C)/C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P11 compound treatment -0.0028 -0.00246 -0.24 -0.0072 -0.00723 -0.55 -0.5577 -0.9334 2060059 SPBio_000309 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](C[C@H]5O[C@]543)c6ccoc6)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P12 compound treatment 0.0022 0.00254 0.25 0.0028 0.00277 0.21 0.3247 0.996 3059434 SPBio_000310 C[C@]12CC[C@@H]3[C@H](CC3(C)C)C(=O)CC[C@H]2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P13 compound treatment 0.0032 0.00356 0.35 0.0047 0.00472 0.36 0.4999 1.0 2060060 SPBio_000311 CC1(C)C2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)[C@@]2(C)C=CC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P14 compound treatment -8.0E-4 -4.61E-4 -0.05 -2.0E-4 -2.36E-4 -0.02 -0.0447 -0.9164 2060170 SPBio_000312 CC(=O)OC1CCC2(O)CC1(C)CCC3C2CC3(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P15 compound treatment 2.0E-4 5.41E-4 0.05 -0.0042 -0.00423 -0.32 -0.1882 -0.5811 2060062 SPBio_000313 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P16 compound treatment 0.0043 0.00456 0.45 -0.0072 -0.00723 -0.55 -0.0683 -0.0965 2060421 SPBio_000314 C[C@](O)(CCC1C(=C)C[C@H](O)C2C(C)(C)CCCC12C)C=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P17 compound treatment 0.0042 0.00454 0.45 -0.0012 -0.00123 -0.09 0.2505 0.548 2060063 SPBio_000315 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](C(=O)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P18 compound treatment -0.0068 -0.00646 -0.64 0.0028 0.00277 0.21 -0.3031 -0.4517 3177379 SPBio_000316 CC(=O)O[C@H]1CC(=C)C(CC[C@](C)(O)C=C)C2(C)CCCC(C)(C)C12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P19 compound treatment -0.0058 -0.00546 -0.54 -0.0052 -0.00523 -0.39 -0.6604 -0.9883 2060066 SPBio_000317 COC(=O)CC1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P20 compound treatment -0.0198 -0.0194 -1.92 -0.0243 -0.0243 -1.83 -2.6524 -0.9997 2060175 SPBio_000318 C[C@](O)(CCC1C(=C)CCC2[C@@](C)(CO)CCC[C@]12C)C=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P21 compound treatment -0.0068 -0.00646 -0.64 0.0078 0.00777 0.59 -0.0359 -0.0415 3173867 SPBio_000319 COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P22 compound treatment -0.0058 -0.00546 -0.54 0.0028 0.00277 0.21 -0.2333 -0.4036 2060166 SPBio_000320 CC1(C)CC2C1CCC(=C)/C(=N\O)/CCC2=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P23 mock treatment 2.0E-4 5.36E-4 0.05 -2.0E-4 -2.32E-4 -0.02 0.025 0.4493 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2158 P24 mock treatment 0.0022 0.00254 0.25 -0.0052 -0.00523 -0.39 -0.1024 -0.219 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A01 mock treatment 0.0038 0.00411 0.41 -0.0019 -0.00193 -0.15 0.1834 0.4256 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A02 mock treatment -0.0022 -0.00189 -0.19 0.0011 0.00107 0.08 -0.0748 -0.3688 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A03 compound treatment -0.0012 -8.87E-4 -0.09 -0.0019 -0.00193 -0.15 -0.1652 -0.97 1030891 SPBio_000321 Cc1cc(=O)oc2c(O)c(O)ccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A04 compound treatment -0.0122 -0.0119 -1.17 -0.011 -0.011 -0.83 -1.4129 -0.9855 1109169 SPBio_000322 COc1ccc2c(=O)c(coc2c1)c3cc4OCOc4cc3OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A05 compound treatment -0.0012 -8.87E-4 -0.09 0.0011 0.00107 0.08 -0.005 -0.0424 1552436 SPBio_000323 COc1ccc(cc1)c2cc(=O)c3cc(OC)ccc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A06 compound treatment -2.0E-4 1.13E-4 0.01 -0.0029 -0.00293 -0.22 -0.1488 -0.6708 2060405 SPBio_000324 CC1(C)[C@H](CC(=O)O)[C@@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]3(O)C[C@@H](C1=O)C2=O)c5ccoc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A07 compound treatment -0.0322 -0.0319 -3.15 -0.025 -0.025 -1.88 -3.557 -0.9699 2060323 SPBio_000325 COc1ccccc1c2cc(=O)c3c(OC)cccc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A08 compound treatment -0.0012 -8.84E-4 -0.09 -0.0069 -0.00693 -0.52 -0.4319 -0.8137 2060179 SPBio_000326 COc1cccc2c1CCC3CC(=O)CC[C@@]32C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A09 compound treatment -0.0012 -8.87E-4 -0.09 -0.0029 -0.00293 -0.22 -0.2186 -0.9175 1499608 SPBio_000327 COc1ccc2c(=O)cc(oc2c1)c3ccccc3OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A10 compound treatment -0.0032 -0.00289 -0.28 -0.0029 -0.00293 -0.22 -0.358 -0.9923 3077346 SPBio_000328 COC(=O)c1c(C)cc(OC)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A11 compound treatment 8.0E-4 0.00111 0.11 -0.0019 -0.00193 -0.15 -0.0256 -0.1401 777 SPBio_000329 Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A12 compound treatment -0.0342 -0.0339 -3.34 -0.0429 -0.0429 -3.24 -4.6542 -0.9999 1009851 SPBio_000330 O=C1c2ccccc2C(=O)c3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A13 compound treatment -0.0042 -0.00388 -0.38 -0.002 -0.00199 -0.15 -0.3769 -0.917 2060418 SPBio_000331 COc1ccccc1c2cc(=O)c3cccc(OC)c3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A14 compound treatment -0.0032 -0.00289 -0.28 -0.0089 -0.00893 -0.67 -0.6783 -0.9265 2060380 SPBio_000332 CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A15 compound treatment -0.0042 -0.00389 -0.38 -0.0029 -0.00293 -0.22 -0.4279 -0.9659 2060322 SPBio_000333 COc1ccc2c(=O)c(OC)c(oc2c1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A16 compound treatment -2.0E-4 1.16E-4 0.01 -0.0039 -0.00393 -0.3 -0.2019 -0.6795 2579 SPBio_000334 OCCSCCO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A17 compound treatment -0.0042 -0.00389 -0.38 -0.0019 -0.00193 -0.15 -0.3743 -0.9124 3173852 SPBio_000335 COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)C3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2O)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A18 compound treatment -0.0192 -0.0189 -1.86 -0.017 -0.017 -1.28 -2.2253 -0.9834 3173468 SPBio_000336 COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A19 compound treatment 0.0038 0.00411 0.41 -9.0E-4 -9.35E-4 -0.07 0.2368 0.5754 3177315 SPBio_000337 CC1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A20 compound treatment 0.0388 0.0391 3.86 0.032 0.032 2.42 4.4363 0.9747 1445 SPBio_000338 C/C=C(/C)\C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]2(C[C@@]5(O)[C@@H]6CN7C[C@@H](C)CC[C@H]7[C@@](C)(O)[C@@]6(O)[C@@H](O)C[C@@]45O)O[C@@]31O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A21 compound treatment 8.0E-4 0.0011 0.11 0.002 0.00201 0.15 0.1839 0.9868 976 SPBio_000339 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A22 compound treatment -0.0052 -0.00489 -0.48 1.0E-4 6.81E-5 0.01 -0.3373 -0.6995 1112405 SPBio_000340 COc1cc2OCOc2cc1c3cc4cc5ccoc5cc4oc3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A23 mock treatment 0.0028 0.00312 0.31 0.0041 0.00407 0.31 0.4346 1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 A24 mock treatment -0.0022 -0.00189 -0.19 0.011 0.011 0.83 0.457 0.5357 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B01 mock treatment -0.0082 -0.00789 -0.78 -0.0069 -0.00693 -0.52 -0.9204 -0.9814 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B02 mock treatment 0.0048 0.00511 0.5 -0.012 -0.012 -0.9 -0.2827 -0.2731 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B03 compound treatment 0.0038 0.00411 0.41 0.0031 0.00307 0.23 0.4506 0.9646 1011006 SPBio_000341 O=C1C=CC(=O)c2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B04 compound treatment -0.0022 -0.0019 -0.19 -0.009 -0.00895 -0.68 -0.6104 -0.8701 3172845 SPBio_000342 CCC(C)C(=O)O[C@H]1[C@H](O)C2C(CN3CC(C)CCC3[C@@]2(C)O)C4C[C@]5(O[C@@]6(O)C7C(OC(=O)C)[C@@H](OC(=O)C)C5[C@@]41O)[C@@]7(C)CCC6OC(=O)C(C)(O)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B05 compound treatment -0.0062 -0.00589 -0.58 -0.0099 -0.00993 -0.75 -0.941 -0.992 1000322 SPBio_000343 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B06 compound treatment -0.0152 -0.0149 -1.47 -0.02 -0.02 -1.51 -2.105 -0.9999 2060143 SPBio_000344 COC1=CC(=O)C(=CC1=O)C(C=C)c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B07 compound treatment -0.0052 -0.00489 -0.48 -0.0119 -0.0119 -0.9 -0.978 -0.9571 1001496 SPBio_000345 NC(=O)N1c2ccccc2CC(=O)c3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B08 compound treatment -0.0062 -0.00589 -0.58 -0.0109 -0.0109 -0.83 -0.9944 -0.9852 1046 SPBio_000346 CC1C2C(CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC(=O)[C@]23C)OC61CCC(C)CO6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B09 compound treatment -0.0052 -0.00489 -0.48 -9.0E-4 -9.35E-4 -0.07 -0.3908 -0.8021 3198312 SPBio_000347 C[C@@]12CCC3C(C=CC4=CC(=O)CC[C@]34C)C2CC[C@]51CCC(=O)O5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B10 compound treatment -0.0082 -0.0079 -0.78 -0.01 -0.00995 -0.75 -1.0823 -0.9998 2060339 SPBio_000348 COc1cc2N3C4[C@H]5[C@H]6C[C@@H]7N(CC[C@@]74c2cc1OC)CC6=CCOC5CC3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B11 compound treatment -0.0012 -8.87E-4 -0.09 -0.0029 -0.00293 -0.22 -0.2185 -0.9176 2069295 SPBio_000349 CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc4ccc(cc4)c5ccccc5c6nnn[nH]6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B12 compound treatment -0.0492 -0.0489 -4.82 -0.045 -0.045 -3.4 -5.8132 -0.9853 3059432 SPBio_000350 CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@]12C)[C@@]4(C)CC[C@H](O)CC4=CC3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B13 compound treatment -0.0032 -0.00289 -0.28 -0.0069 -0.00693 -0.52 -0.5716 -0.9591 3480246 SPBio_000351 CCOC(=O)C1=C(COCCN)NC(=C(C1c2ccccc2Cl)C(=O)OC)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B14 compound treatment -0.0032 -0.00289 -0.28 -0.0039 -0.00393 -0.3 -0.4115 -0.9998 2060325 SPBio_000352 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B15 compound treatment -0.0052 -0.00489 -0.48 -0.008 -0.00797 -0.6 -0.7666 -0.9939 1001366 SPBio_000353 COc1c(N2CCNC(C)C2)c(F)cc3c(=O)c(cn(C4CC4)c13)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B16 compound treatment -0.0292 -0.0289 -2.85 -0.031 -0.031 -2.34 -3.6702 -0.9952 2060251 SPBio_000354 NCC(N)C(=O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B17 compound treatment -0.0042 -0.00389 -0.38 -0.0099 -0.00993 -0.75 -0.8014 -0.9515 3198313 SPBio_000355 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)C5[C@H](O)C[C@]43C)[C@@H]2[C@H]1C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B18 compound treatment -0.0182 -0.0179 -1.77 -0.008 -0.00799 -0.6 -1.6751 -0.8978 297849 SPBio_000356 COc1ccc2c(c1)[nH]c3c(C)nccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B19 compound treatment -2.0E-4 1.13E-4 0.01 -9.0E-4 -9.35E-4 -0.07 -0.0421 -0.5887 1001346 SPBio_000357 OC(CC[C@@H]1[C@H](N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B20 compound treatment -0.0012 -8.87E-4 -0.09 -0.0059 -0.00593 -0.45 -0.3787 -0.8296 2060051 SPBio_000358 Cc1cc(=O)c2c(O)cc(O)c(C)c2o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B21 compound treatment 8.0E-4 0.00111 0.11 -0.0019 -0.00193 -0.15 -0.0257 -0.1406 1333 SPBio_000359 CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B22 compound treatment -0.0042 -0.00389 -0.38 -0.0089 -0.00893 -0.67 -0.748 -0.9642 956 SPBio_000360 CCn1nc(C(=O)O)c(=O)c2cc3OCOc3cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B23 mock treatment -2.0E-4 1.16E-4 0.01 -0.0079 -0.00793 -0.6 -0.4155 -0.6935 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 B24 mock treatment -0.0062 -0.00589 -0.58 -0.0059 -0.00593 -0.45 -0.7274 -0.9918 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C01 mock treatment 0.0028 0.00311 0.31 0.0011 0.00107 0.08 0.274 0.8632 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C02 mock treatment 0.0048 0.00511 0.5 0.0021 0.00207 0.16 0.4669 0.8845 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C03 compound treatment 0.0018 0.00212 0.21 0.0021 0.00207 0.16 0.258 0.9897 2060213 SPBio_000361 CC1(C)C2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)[C@@]2(C)[C@H]6O[C@H]6C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C04 compound treatment 0.0018 0.00212 0.21 -0.0039 -0.00393 -0.3 -0.0623 -0.1715 1530 SPBio_000362 COc1ccc2c3CCN=C(C)c3[nH]c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C05 compound treatment 0.0028 0.00311 0.31 0.006 0.00603 0.45 0.5387 0.9817 3173352 SPBio_000363 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C06 compound treatment -0.0022 -0.00189 -0.19 -0.0019 -0.00193 -0.15 -0.2348 -0.9927 2060407 SPBio_000364 COc1ccc(/C=C/C(=O)O)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C07 compound treatment -0.0042 -0.00389 -0.38 -0.0039 -0.00393 -0.3 -0.4812 -0.992 2060232 SPBio_000365 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)CC[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C08 compound treatment 0.0048 0.00511 0.5 0.0021 0.00207 0.16 0.4668 0.8844 2060504 SPBio_000366 Cc1cc(O)c(C)c(O)c1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C09 compound treatment 0.0088 0.0091 0.9 0.01 0.01 0.76 1.169 0.9963 2060233 SPBio_000367 COC(=O)C[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C4CC(O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C10 compound treatment -2.0E-4 1.16E-4 0.01 0.0101 0.0101 0.76 0.5454 0.7176 2060400 SPBio_000368 CC(C)c1ccc2c(CCC3[C@](C)(CN)CCC[C@@]32C)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C11 compound treatment -0.0072 -0.00688 -0.68 0.0011 0.00107 0.08 -0.4228 -0.6189 2060235 SPBio_000369 CC(=O)O[C@@H]1CC2C(C)(C)C(=O)[C@@H]3O[C@@H]3[C@]2(C)C4CC[C@@]5(C)[C@@H](OC(=O)C=C5[C@]14C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C12 compound treatment 0.0078 0.00809 0.8 0.005 0.00501 0.38 0.8316 0.9417 2060317 SPBio_000370 COc1cc(OC)c2c(OC)c(c3ccc4OCOc4c3)c(=O)oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C13 compound treatment -0.0012 -8.87E-4 -0.09 -9.0E-4 -9.35E-4 -0.07 -0.1118 -0.9943 2060237 SPBio_000371 CC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@@]2(C)C(CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)C(=O)O)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C14 compound treatment -0.0942 -0.0939 -9.26 -0.094 -0.094 -7.09 -11.5667 -0.9913 891 SPBio_000372 CC(=O)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C15 compound treatment 0.0028 0.00311 0.31 0.012 0.012 0.91 0.859 0.8963 2060240 SPBio_000373 CC1=C2C(O)C(=O)OC3CC4C(C)(C)C(=O)C=C[C@]4(C)C(CC1)[C@@]32C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C16 compound treatment -0.0022 -0.00189 -0.19 0.0011 0.00107 0.08 -0.0748 -0.3688 2060458 SPBio_000374 CC(=O)Oc1cccc(C(=O)O)c1OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C17 compound treatment -0.0072 -0.00689 -0.68 0.0031 0.00307 0.23 -0.3168 -0.4414 2060241 SPBio_000375 CC1(C)C2C[C@@H](O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C=C43)c5ccoc5)[C@@]2(C)CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C18 compound treatment 0.0058 0.0061 0.6 -0.1711 -0.171 -12.92 -8.708 -0.6734 3172856 SPBio_000376 O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4C(C32)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C19 compound treatment 0.0018 0.00211 0.21 0.002 0.00203 0.15 0.2553 0.9885 2060026 SPBio_000377 COC(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)C)[C@@H]2CC3C(CC[C@@]4(C)[C@@H](OC(=O)CC34)c5ccoc5)[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C20 compound treatment 0.0038 0.00411 0.41 0.006 0.00603 0.45 0.6085 0.9984 1010689 SPBio_000378 COc1cc(CC=C)c(OC)c2OCOc21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C21 compound treatment -0.1258 -0.126 -12.38 -0.1331 -0.133 -10.05 -15.8581 -0.9946 2060086 SPBio_000379 CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)CC32OC4(C)OC53[C@H](OC(=O)C(C)C)[C@@]6(O)[C@@H](OC(=O)C7(C)OC7C)[C@@]8(C)C[C@]6(O)[C@@](C)([C@H]8CC(=O)OC)C15O4)c9ccoc9 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C22 compound treatment 0.0068 0.00711 0.7 0.0031 0.00307 0.23 0.6596 0.8931 1000142 SPBio_000380 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C23 mock treatment 0.0068 0.00711 0.7 0.0041 0.00407 0.31 0.7131 0.9312 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 C24 mock treatment -0.0022 -0.00189 -0.19 0.0031 0.00307 0.23 0.032 0.1077 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D01 mock treatment -0.0022 -0.00189 -0.19 -0.0029 -0.00293 -0.22 -0.2882 -0.9963 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D02 mock treatment 0.0028 0.00311 0.31 0.0031 0.00307 0.23 0.3808 0.9903 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D03 compound treatment 0.0088 0.00911 0.9 0.0021 0.00207 0.16 0.7459 0.8176 3078456 SPBio_000381 CC(=CCC[C@](C)(O)C1CCC(=CC1)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D04 compound treatment -0.0052 -0.00489 -0.48 -0.0059 -0.00593 -0.45 -0.6577 -0.9993 2060067 SPBio_000382 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C=C[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D05 compound treatment -2.0E-4 1.13E-4 0.01 -0.0019 -0.00193 -0.15 -0.0953 -0.6515 1002856 SPBio_000383 CCC(C(=O)N)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D06 compound treatment 0.0018 0.00212 0.21 1.0E-4 6.8E-5 0.01 0.1513 0.7243 3174120 SPBio_000384 CCCCCCCCCCCC[C@@H]([C@@H](C)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D07 compound treatment -0.0012 -8.87E-4 -0.09 1.0E-4 6.51E-5 0.0 -0.0584 -0.6663 3078457 SPBio_000385 CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D08 compound treatment 0.0018 0.00209 0.21 0.006 0.00601 0.45 0.4665 0.9365 1000219 SPBio_000386 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D09 compound treatment -0.0022 -0.00189 -0.19 -0.0059 -0.00593 -0.45 -0.4485 -0.9243 2069284 SPBio_000387 COc1ccc2cc(ccc2c1)[C@H](C)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D10 compound treatment -2.0E-4 1.13E-4 0.01 -0.0079 -0.00793 -0.6 -0.4157 -0.6939 3177312 SPBio_000388 CC(C)CCCC(C)C1CCC2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D11 compound treatment -0.0222 -0.0219 -2.16 -0.028 -0.028 -2.11 -3.0218 -0.9999 1377 SPBio_000389 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D12 compound treatment -2.0E-4 1.03E-4 0.01 0.0 5.14E-6 0.0 0.0074 0.7337 1064620 SPBio_000390 COC1=CC23CCCN3CCc4cc5OCOc5cc4C2C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D13 compound treatment -0.0022 -0.00189 -0.19 -0.0029 -0.00293 -0.22 -0.2885 -0.9963 1079 SPBio_000391 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D14 compound treatment -0.0242 -0.0239 -2.36 -0.019 -0.019 -1.43 -2.6805 -0.9715 1000141 SPBio_000392 OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D15 compound treatment 8.0E-4 0.00112 0.11 0.0051 0.00507 0.38 0.3483 0.8753 2060414 SPBio_000393 OC(=O)c1nc2cc(Cl)c(Cl)cc2nc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D16 compound treatment -0.0022 -0.00189 -0.19 -0.003 -0.00295 -0.22 -0.2894 -0.996 2060229 SPBio_000394 Oc1cc(OC(=O)c2cc(O)c(O)c(O)c2)c3C[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc3c1)c5cc(O)c(O)c(O)c5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D17 compound treatment -2.0E-4 1.13E-4 0.01 -9.0E-4 -9.35E-4 -0.07 -0.0421 -0.5887 1000393 SPBio_000395 CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D18 compound treatment -2.0E-4 1.13E-4 0.01 -9.0E-4 -9.32E-4 -0.07 -0.0419 -0.5883 2060137 SPBio_000396 COc1ccc(cc1)c2coc3c(OC)c(OC)cc(OC)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D19 compound treatment -0.0012 -8.87E-4 -0.09 -9.0E-4 -9.35E-4 -0.07 -0.1118 -0.9943 3055414 SPBio_000397 OC[C@@H]1CCCN2CCCC[C@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D20 compound treatment 0.0088 0.0091 0.9 0.007 0.00701 0.53 1.0089 0.9681 2060196 SPBio_000398 COc1cc2OCC3Oc4cc5OC(C)(C)C=Cc5c(O)c4C(=O)C3c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D21 compound treatment -0.0022 -0.00189 -0.19 -0.0079 -0.00793 -0.6 -0.5552 -0.8851 2060489 SPBio_000399 C/C=C(/C)\C(=O)O[C@@H]1Cc2c(OC1(C)C)ccc3ccc(=O)oc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D22 compound treatment -2.0E-4 1.13E-4 0.01 0.0021 0.00207 0.16 0.1182 0.7555 3078459 SPBio_000400 CCN(CCCc1ccccc1)CCCc2ccccc2.CC(CC(=O)O)(CC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D23 mock treatment 0.0078 0.00811 0.8 0.0041 0.00407 0.31 0.783 0.9135 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 D24 mock treatment 0.0028 0.00311 0.31 0.004 0.00403 0.3 0.4318 1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E01 mock treatment -0.0012 -8.89E-4 -0.09 0.0051 0.00507 0.38 0.2085 0.5311 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E02 mock treatment 0.0018 0.00211 0.21 0.0021 0.00207 0.16 0.2576 0.9899 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E03 compound treatment 0.0038 0.00411 0.41 1.0E-4 6.51E-5 0.0 0.2903 0.7156 2060027 SPBio_000401 CC(=O)O[C@@H]1CC2C(C)(C)[C@@H](O)CC[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]54[C@]13C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E04 compound treatment -0.0042 -0.00389 -0.38 -0.0039 -0.00393 -0.3 -0.4812 -0.992 2060441 SPBio_000402 OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E05 compound treatment -0.0082 -0.0079 -0.78 -0.007 -0.00699 -0.53 -0.9243 -0.9821 2060029 SPBio_000403 CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E06 compound treatment -0.0012 -8.87E-4 -0.09 -0.0039 -0.00393 -0.3 -0.272 -0.8781 2060452 SPBio_000404 CC1(C)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O1)C(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E07 compound treatment 8.0E-4 0.00112 0.11 -0.0049 -0.00493 -0.37 -0.1856 -0.4779 3173368 SPBio_000405 O=C1CC[C@]2(/C=C/C(=O)NCCCCNCCCNC(=O)\C=C\c3ccc4O[C@@H]2C1)c4c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E08 compound treatment -2.0E-4 1.13E-4 0.01 0.0021 0.00207 0.16 0.1181 0.7555 2060411 SPBio_000406 O[C@H]1Cc2ccc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E09 compound treatment -0.0072 -0.00689 -0.68 -0.0049 -0.00493 -0.37 -0.7438 -0.96 2060039 SPBio_000407 CC(=CCc1c(O)cc2oc(C)cc(=O)c2c1O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E10 compound treatment 8.0E-4 0.00111 0.11 0.011 0.011 0.83 0.666 0.7933 2060392 SPBio_000408 CCOc1ccc(cc1)C(=O)c2ccc(O)c(O)c2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E11 compound treatment 0.0038 0.00411 0.41 1.0E-4 6.51E-5 0.0 0.2903 0.7156 2060056 SPBio_000409 COc1cc(O)c2c(=O)cc(C)oc2c1CC=C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E12 compound treatment 0.0078 0.00811 0.8 0.005 0.00503 0.38 0.834 0.9419 2069228 SPBio_000410 COc1ccc2oc3ccccc3c(=O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E13 compound treatment 0.0048 0.00511 0.5 0.012 0.012 0.91 0.9984 0.9615 2060061 SPBio_000411 Cc1cc(=O)c2c(O)c3CCC(C)(C)Oc3cc2o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E14 compound treatment 0.0188 0.0191 1.88 0.026 0.026 1.96 2.7211 0.9998 1050711 SPBio_000412 COc1cc(OC)cc(OC)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E15 compound treatment -0.0042 -0.00389 -0.38 -0.0019 -0.00193 -0.15 -0.3744 -0.9125 3058621 SPBio_000413 C[C@H]1C2[C@H](C[C@H]3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@@]61CC[C@@H](C)CN6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E16 compound treatment -0.0052 -0.00488 -0.48 -0.011 -0.011 -0.83 -0.925 -0.9668 973 SPBio_000414 COc1ccc(cc1)C2C(=O)c3ccccc3C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E17 compound treatment 0.0058 0.00609 0.6 -9.0E-4 -9.35E-4 -0.07 0.375 0.6198 2060161 SPBio_000415 CC(=C)[C@H]1COc2cc3oc(=O)ccc3cc2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E18 compound treatment -0.0022 -0.00189 -0.19 -9.0E-4 -9.33E-4 -0.07 -0.1815 -0.9115 360 SPBio_000416 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E19 compound treatment -0.0012 -8.87E-4 -0.09 0.002 0.00201 0.15 0.0451 0.2581 1352641 SPBio_000417 COc1c2ccoc2nc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E20 compound treatment 0.0028 0.00311 0.31 0.0011 0.00107 0.08 0.274 0.8632 2060502 SPBio_000418 COc1cc(cc(OC)c1O)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E21 compound treatment -0.0062 -0.00589 -0.58 -0.0049 -0.00493 -0.37 -0.674 -0.9769 2060295 SPBio_000419 CC(C)C1COc2cc3oc(=O)ccc3cc2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E22 compound treatment 0.0018 0.00211 0.21 0.0031 0.00307 0.23 0.3109 0.9986 862 SPBio_000420 CCCCCCCCCCCCCCCC[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E23 mock treatment -2.0E-4 1.13E-4 0.01 0.0021 0.00207 0.16 0.1182 0.7555 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 E24 mock treatment -0.0052 -0.00489 -0.48 -0.0019 -0.00193 -0.15 -0.4442 -0.8818 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F01 mock treatment -0.0032 -0.00289 -0.29 0.0011 0.00107 0.08 -0.1446 -0.4881 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F02 mock treatment 0.0028 0.00311 0.31 -0.0019 -0.00193 -0.15 0.1139 0.3351 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F03 compound treatment -0.0112 -0.0109 -1.08 -0.021 -0.021 -1.58 -1.8805 -0.9823 1140 SPBio_000421 CC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F04 compound treatment 0.0018 0.00212 0.21 -0.0029 -0.00293 -0.22 -0.009 -0.0295 3198317 SPBio_000422 CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N2[C@@H](C[C@@H]3CCCC[C@@H]32)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F05 compound treatment -0.0032 -0.00289 -0.28 1.0E-4 6.81E-5 0.01 -0.1978 -0.6942 3173234 SPBio_000423 Cn1c(=O)[nH]c(=O)c2nc[nH]c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F06 compound treatment -0.0032 -0.00289 -0.28 -0.0049 -0.00493 -0.37 -0.4647 -0.9912 653 SPBio_000424 Oc1cc2cccc(O)c(=O)c2c(O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F07 compound treatment 0.0018 0.00211 0.21 -0.0019 -0.00193 -0.15 0.0439 0.1727 1090658 SPBio_000425 COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F08 compound treatment -0.0032 -0.00288 -0.28 -9.0E-4 -9.35E-4 -0.07 -0.251 -0.8566 1013195 SPBio_000426 Nc1ncnc2[nH]cnc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F09 compound treatment -0.0882 -0.0879 -8.67 -0.084 -0.084 -6.34 -10.6154 -0.9882 1043296 SPBio_000427 Cc1nccc2c3ccc(O)cc3[nH]c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F10 compound treatment 8.0E-4 0.00112 0.11 1.0E-4 6.51E-5 0.0 0.0813 0.738 3177456 SPBio_000428 CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F11 compound treatment 0.0038 0.00411 0.41 0.0011 0.00107 0.08 0.3437 0.8311 3480229 SPBio_000429 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F12 compound treatment -0.0262 -0.0259 -2.56 -0.018 -0.018 -1.36 -2.7655 -0.956 1113269 SPBio_000430 CN1Cc2c3OCOc3ccc2C4C(O)Cc5cc6OCOc6cc5C41 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F13 compound treatment -0.0042 -0.0039 -0.38 -0.001 -9.95E-4 -0.08 -0.325 -0.8296 1001491 SPBio_000431 CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5)C(C)(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F14 compound treatment 0.0018 0.00211 0.21 0.0011 0.00107 0.08 0.2042 0.9143 1020463 SPBio_000432 Oc1cc2ccc(=O)oc2cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F15 compound treatment -0.0022 -0.00189 -0.19 0.0011 0.00107 0.08 -0.0747 -0.3682 1000878 SPBio_000433 OCCN1C[C@@H](O)[C@@H](O)C(O)C1CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F16 compound treatment -0.0112 -0.0109 -1.08 -0.0069 -0.00693 -0.52 -1.131 -0.9452 3174244 SPBio_000434 N=c1[nH]c(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F17 compound treatment -0.0052 -0.00488 -0.48 0.003 0.00303 0.23 -0.1791 -0.3359 1001030 SPBio_000435 Cc1onc(c1c2ccc(cc2)S(=O)(=O)N)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F18 compound treatment -0.0102 -0.00991 -0.98 0.0061 0.00607 0.46 -0.3672 -0.3402 1048361 SPBio_000436 c1ccc2c(c1)[nH]c3cnccc32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F19 compound treatment 0.0068 0.0071 0.7 0.001 0.00101 0.08 0.5491 0.7791 3198314 SPBio_000437 CCC1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(OC)C3(CCCn4cnc(c4)c5cccnc5)C[C@@H](C)C(=O)[C@H](C)[C@H]6N(C3)C(=O)O[C@@]61C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F20 compound treatment 0.0118 0.0121 1.19 0.016 0.016 1.21 1.6989 1.0 2069231 SPBio_000438 CC(=CCc1cc(ccc1O)C(=O)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F21 compound treatment -0.0032 -0.00289 -0.28 0.0011 0.00107 0.08 -0.1445 -0.4884 1002855 SPBio_000439 CCC(C(=O)O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F22 compound treatment -0.0052 -0.00489 -0.48 -0.0049 -0.00493 -0.37 -0.6044 -0.9918 819 SPBio_000440 CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F23 mock treatment -2.0E-4 1.16E-4 0.01 0.0021 0.00207 0.16 0.1184 0.7567 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 F24 mock treatment -2.0E-4 1.16E-4 0.01 -0.0059 -0.00593 -0.45 -0.3088 -0.6889 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G01 mock treatment 0.0038 0.00411 0.41 0.0051 0.00507 0.38 0.5572 0.9996 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G02 mock treatment 0.0018 0.00212 0.21 0.0011 0.00107 0.08 0.2046 0.9141 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G03 compound treatment 0.0018 0.0021 0.21 -0.002 -0.00199 -0.15 0.0402 0.1567 2060058 SPBio_000441 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G04 compound treatment 0.0058 0.00611 0.6 0.0071 0.00707 0.53 0.8036 0.9981 1057125 SPBio_000442 CC(C)(C=C)c1c2OC(C)(C)C=Cc2c(O)c3c(=O)c4ccc(O)c(O)c4oc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G05 compound treatment 0.0018 0.00211 0.21 -0.0029 -0.00293 -0.22 -0.0093 -0.0305 3173478 SPBio_000443 C[C@H]1C(=O)CCC2[C@]1(C)CCC3[C@@]2(C)CC[C@@]4(C)C5CC(C)(C)CC[C@]5(C)CC[C@]34C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G06 compound treatment 0.0198 0.0201 1.98 0.015 0.015 1.13 2.2032 0.9647 3173115 SPBio_000444 C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@]61CCC(C)CN6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G07 compound treatment 0.0098 0.0101 1.0 0.007 0.00703 0.53 1.079 0.9565 3054135 SPBio_000445 CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C4C5CC(C)(C)CC[C@]5(C)CC[C@]43C)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G08 compound treatment 0.0088 0.00909 0.9 1.0E-4 6.51E-5 0.0 0.6377 0.711 2060429 SPBio_000446 COC1CC(O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)C(CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)OC(C)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G09 compound treatment 0.0208 0.0211 2.08 0.021 0.021 1.59 2.5936 0.9911 2060065 SPBio_000447 COC[C@@]12CN(C=O)C3[C@@H]4[C@H](OC)C2[C@]3(C5CC6(O)C(OC(=O)c7ccccc7)C5C4(OC(=O)C)C(O)C6OC)[C@H](C[C@H]1O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G10 compound treatment 0.0058 0.00611 0.6 -0.0029 -0.00293 -0.22 0.2697 0.4198 1082254 SPBio_000448 OC(=O)CCNC(=O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G11 compound treatment -0.0022 -0.00189 -0.19 0.0041 0.00407 0.31 0.0854 0.2378 2060068 SPBio_000449 COC1C(O)C(O[C@H]2CC[C@]3(C=O)C4[C@@H](C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)OC(=O)C)OC(C)C1OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G12 compound treatment -0.0112 -0.0109 -1.08 -9.0E-4 -9.35E-4 -0.07 -0.8107 -0.7519 1001284 SPBio_000450 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)C6CCCC6C(=O)C(NC5=O)C(C)C)c4nc23)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCC7C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G13 compound treatment 0.0088 0.00909 0.9 0.011 0.011 0.83 1.2228 0.9993 3174249 SPBio_000451 CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G14 compound treatment 0.0018 0.00211 0.21 0.0051 0.00507 0.38 0.4177 0.9593 2069274 SPBio_000452 CC(O)c1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)c(C)c3C(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G15 compound treatment -0.0012 -8.87E-4 -0.09 0.0061 0.00607 0.46 0.262 0.5618 2060088 SPBio_000453 COc1cc2ccc(=O)oc2c(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G16 compound treatment 0.0048 0.00511 0.5 0.0031 0.00307 0.23 0.5203 0.9376 840 SPBio_000454 CCOc1ccc2ccccc2c1NC(=O)[C@H]3[C@H]4SC(C)(C)C(N4C3=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G17 compound treatment -2.0E-4 1.13E-4 0.01 -0.002 -0.00199 -0.15 -0.0986 -0.6532 2060292 SPBio_000455 CC1(C)[C@H](O)C[C@H](O)[C@@]2(C)C1C[C@@H](O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G18 compound treatment 0.0048 0.0051 0.5 0.003 0.00301 0.23 0.5163 0.9352 1041649 SPBio_000456 CC(C)c1ccc(C)c(C(=O)O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G19 compound treatment 0.0058 0.0061 0.6 0.009 0.00901 0.68 0.9064 0.9982 3472730 SPBio_000457 CC12CCC3C(CC=C4CC(O)CCC34C)C2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G20 compound treatment 0.0048 0.00511 0.5 0.0051 0.00507 0.38 0.6268 0.9907 1001523 SPBio_000458 Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G21 compound treatment 0.0048 0.00511 0.5 0.0041 0.00407 0.31 0.5737 0.9717 3054130 SPBio_000459 CC(CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)C4(C)CC[C@H](OC(=O)C)C(C)(C)C4CC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G22 compound treatment 0.0088 0.00911 0.9 0.0031 0.00307 0.23 0.7991 0.8611 2060420 SPBio_000460 CC(=O)O[C@@H]1CC2C(C)(C)[C@@H](O)CCC2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4C13C)c5ccoc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G23 mock treatment -0.0102 -0.00991 -0.98 0.0021 0.00207 0.16 -0.5807 -0.5868 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 G24 mock treatment -0.0022 -0.00189 -0.19 -0.0029 -0.00293 -0.22 -0.2885 -0.9963 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H01 mock treatment 0.0018 0.00211 0.21 -0.0069 -0.00693 -0.52 -0.2228 -0.3954 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H02 mock treatment 0.0058 0.00611 0.6 0.0011 0.00107 0.08 0.4832 0.7946 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H03 compound treatment -0.0012 -8.87E-4 -0.09 0.0021 0.00207 0.16 0.0484 0.2708 1235 SPBio_000461 CCOC(=O)CCCCCCCCCCCCC1CCC=C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H04 compound treatment 0.0138 0.0141 1.39 -9.0E-4 -9.35E-4 -0.07 0.933 0.6703 2565 SPBio_000462 COC1=CC(=O)OC1(O)C(=C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H05 compound treatment 0.0018 0.0021 0.21 -0.001 -9.95E-4 -0.08 0.0935 0.4241 1384 SPBio_000463 COC(=O)[C@@H](N1CCc2sccc2C1)c3ccccc3Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H06 compound treatment -2.0E-4 1.13E-4 0.01 0.0081 0.00807 0.61 0.4384 0.7199 2060149 SPBio_000464 Cc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H07 compound treatment 0.0088 0.00909 0.9 0.0011 0.00107 0.08 0.6911 0.7674 1044852 SPBio_000465 OC(=O)c1cc2cc(Cl)ccc2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H08 compound treatment 0.0018 0.00211 0.21 -0.0049 -0.00493 -0.37 -0.1161 -0.272 715 SPBio_000466 COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H09 compound treatment -0.0062 -0.00589 -0.58 -0.0019 -0.00193 -0.15 -0.5138 -0.8581 3078458 SPBio_000467 CCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H10 compound treatment -2.0E-4 1.13E-4 0.01 0.0061 0.00607 0.46 0.3316 0.724 886 SPBio_000468 O[C@@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H11 compound treatment 0.0018 0.00211 0.21 0.0011 0.00107 0.08 0.2043 0.9144 710 SPBio_000469 CC(=O)OCC1=C(N2C(SC1)[C@H](NC(=O)CCCC(N)C(=O)O)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H12 compound treatment -0.0122 -0.0119 -1.17 -0.0109 -0.0109 -0.83 -1.4144 -0.9851 1737132 SPBio_000470 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H13 compound treatment -0.0042 -0.00389 -0.38 0.0011 0.00107 0.08 -0.2143 -0.5469 1001994 SPBio_000471 C[C@@H](N)[C@@H](O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H14 compound treatment -0.0082 -0.0079 -0.78 0.003 0.00301 0.23 -0.3904 -0.4812 4895 SPBio_000472 C[n+]1cccc(c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H15 compound treatment -0.0022 -0.00189 -0.19 0.0021 0.00207 0.16 -0.0214 -0.0881 1004889 SPBio_000473 CC(=O)Nc1cccc(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H16 compound treatment 8.0E-4 0.0011 0.11 -0.001 -9.95E-4 -0.08 0.0238 0.18 2060141 SPBio_000474 COC1=CC(=O)C(=CC1=O)C(C=C)c2ccc(OC)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H17 compound treatment -0.0032 -0.00289 -0.28 0.0031 0.00307 0.23 -0.0378 -0.1029 954 SPBio_000475 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H18 compound treatment -0.0012 -8.89E-4 -0.09 0.01 0.01 0.76 0.4732 0.621 1539748 SPBio_000476 COc1ccccc1c2coc3cc(O)ccc3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H19 compound treatment -0.0172 -0.0169 -1.67 -0.024 -0.024 -1.81 -2.4595 -0.9991 906 SPBio_000477 N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H20 compound treatment 0.0028 0.00311 0.31 0.0071 0.00707 0.53 0.5941 0.9655 1010377 SPBio_000478 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H21 compound treatment -0.0072 -0.00689 -0.68 -0.0039 -0.00393 -0.3 -0.6906 -0.9311 2069291 SPBio_000479 COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H22 compound treatment -0.0042 -0.00388 -0.38 -0.0039 -0.00393 -0.3 -0.4809 -0.9921 3055310 SPBio_000480 COc1c(O)cc2C(=O)O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3c2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H23 mock treatment -0.0012 -8.89E-4 -0.09 0.0041 0.00407 0.31 0.1551 0.4856 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 H24 mock treatment -0.0032 -0.00289 -0.29 -0.0019 -0.00193 -0.15 -0.3048 -0.9518 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I01 mock treatment -2.0E-4 1.13E-4 0.01 1.0E-4 6.8E-5 0.01 0.0115 0.9387 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I02 mock treatment 0.0058 0.00611 0.6 0.0041 0.00407 0.31 0.6433 0.951 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I03 compound treatment 8.0E-4 0.00111 0.11 0.0021 0.00207 0.16 0.1877 0.9851 3173612 SPBio_000481 CC(=O)OC1CC2(O)C3CCC4CC(CC[C@]4(C)C3CC[C@]2(C)C1C5=CC(=O)OC5)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I04 compound treatment -0.0062 -0.00589 -0.58 -0.0119 -0.0119 -0.9 -1.0478 -0.9774 2060151 SPBio_000482 COC(=O)[C@@H]1OC(=O)C2OC23[C@@]1(C)CCC4[C@@]5(C)[C@H](C[C@@H](OC(=O)C)C(C)(C)C5C[C@H](O)[C@]43C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I05 compound treatment 0.0028 0.00311 0.31 -9.0E-4 -9.35E-4 -0.07 0.1672 0.5307 2060096 SPBio_000483 CC(=O)O[C@@H]1CC(=O)[C@@]2(C)C(CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I06 compound treatment 0.0018 0.00211 0.21 0.0041 0.00407 0.31 0.3645 0.9822 2060396 SPBio_000484 OC[C@H]1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I07 compound treatment -0.0212 -0.0209 -2.06 -0.005 -0.00499 -0.38 -1.7228 -0.8229 2060098 SPBio_000485 C[C@@]12CCC3C(CC[C@H]4C[C@@H](Cl)CC[C@@]43C)C2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I08 compound treatment 0.0048 0.00509 0.5 0.004 0.00403 0.3 0.5701 0.971 2060410 SPBio_000486 CC1(C)[C@H](O)CC(=O)[C@@]2(C)C1C[C@@H](O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I09 compound treatment -0.0042 -0.00389 -0.38 0.003 0.00303 0.23 -0.1097 -0.2457 2060114 SPBio_000487 COc1c2OCOc2cc3cc[n+](C)cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I10 compound treatment 8.0E-4 0.00111 0.11 0.0021 0.00207 0.16 0.1878 0.9852 1503 SPBio_000488 Cc1c(CS(=O)c2nc3ccccc3[nH]2)nccc1OCC(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I11 compound treatment -2.0E-4 1.13E-4 0.01 0.0041 0.00407 0.31 0.2249 0.7322 2060122 SPBio_000489 CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I12 compound treatment 0.0058 0.00611 0.6 1.0E-4 6.51E-5 0.0 0.4297 0.7129 3077356 SPBio_000490 COc1cc(cc(OC)c1O)[C@H]2C3C(COC3=O)[C@H](O)c4cc5OCOc5cc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I13 compound treatment -0.0082 -0.00789 -0.78 -9.0E-4 -9.35E-4 -0.07 -0.6001 -0.7681 2060124 SPBio_000491 COC(=O)[C@@]1(C)CCC[C@@]2(C)C1CCc3c(C(C)C)c(O)ccc32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I14 compound treatment -0.0022 -0.00189 -0.19 -0.0019 -0.00193 -0.15 -0.2349 -0.9928 1837 SPBio_000492 CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I15 compound treatment 8.0E-4 0.00111 0.11 0.017 0.017 1.29 0.9866 0.7647 2060128 SPBio_000493 CO[C@@H]1C(OC(=O)C(C)C)[C@@]2(C)[C@@H](OC(=O)/C(=C(\OC)/C(C)C)/C2[C@@]34OC5(C)O[C@]14[C@]6(C)[C@@H](CC(=O)OC)C7(C)CC6(O5)[C@](OC)(C7OC(=O)C)[C@H]3OC)c8ccoc8 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I16 compound treatment 8.0E-4 0.00111 0.11 -9.0E-4 -9.35E-4 -0.07 0.0277 0.2122 750 SPBio_000494 CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1OC2[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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I17 compound treatment -0.0022 -0.0019 -0.19 0.003 0.00301 0.23 0.0281 0.0955 2060146 SPBio_000495 C[C@@]12CCC(=O)C=C2CCc3ccc(O)cc31 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I18 compound treatment 0.0038 0.00411 0.41 0.0061 0.00607 0.46 0.6107 0.9982 1358 SPBio_000496 CN(CCCl)CCCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I19 compound treatment -0.0012 -8.87E-4 -0.09 1.0E-4 6.51E-5 0.0 -0.0584 -0.6663 2060157 SPBio_000497 CC(=O)C1CCC2C3CCC4C[C@H](O)CCC4(C)C3C[C@H](O)C12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I20 compound treatment 0.0018 0.00211 0.21 1.0E-4 6.51E-5 0.0 0.1507 0.7236 1913604 SPBio_000498 OC(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I21 compound treatment 0.0018 0.00212 0.21 0.0031 0.00307 0.23 0.3114 0.9987 2060159 SPBio_000499 COC(=O)[C@@H]1OC(=O)C2OC23[C@@]1(C)CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C[C@@H](OC(=O)C)[C@]43C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I22 compound treatment 0.0028 0.00311 0.31 0.0041 0.00407 0.31 0.4342 1.0 3055336 SPBio_000500 Oc1ccc2sc(=O)oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I23 mock treatment -0.0022 -0.00189 -0.19 0.0051 0.00507 0.38 0.1386 0.3258 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 I24 mock treatment -2.0E-4 1.16E-4 0.01 -0.0019 -0.00193 -0.15 -0.0952 -0.65 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J01 mock treatment -0.0062 -0.00588 -0.58 -0.0069 -0.00693 -0.52 -0.7804 -0.9987 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J02 mock treatment -0.0022 -0.00189 -0.19 0.0031 0.00307 0.23 0.0318 0.1072 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J03 compound treatment -0.0012 -8.87E-4 -0.09 0.0071 0.00707 0.53 0.3153 0.5832 3198315 SPBio_000501 COc1ccc(cc1F)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J04 compound treatment 0.0048 0.00511 0.5 1.0E-4 6.81E-5 0.01 0.3602 0.7143 989 SPBio_000502 NC(=N)NCCCCNC(=N)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J05 compound treatment -0.0062 -0.00589 -0.58 -0.0029 -0.00293 -0.22 -0.5673 -0.9127 1439 SPBio_000503 CSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J06 compound treatment 0.0048 0.00511 0.5 -0.0019 -0.00193 -0.15 0.2534 0.4827 2060167 SPBio_000504 COC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J07 compound treatment 0.0028 0.00309 0.31 -9.0E-4 -9.35E-4 -0.07 0.1658 0.5295 3060196 SPBio_000505 COc1c(CN2CC[C@@H]3CCCN[C@@H]3C2)c(F)cc4c(=O)c(cn(C5CC5)c14)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J08 compound treatment 0.0018 0.00209 0.21 0.0011 0.00107 0.08 0.2028 0.9156 926 SPBio_000506 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J09 compound treatment -0.0012 -8.87E-4 -0.09 -0.0069 -0.00693 -0.52 -0.4321 -0.814 1449108 SPBio_000507 Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J10 compound treatment -0.0052 -0.0049 -0.48 -0.001 -9.95E-4 -0.08 -0.3947 -0.8073 3055321 SPBio_000508 CC(CCC(=O)O)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J11 compound treatment -0.064 -0.0637 -6.28 -0.092 -0.092 -6.95 -9.3539 -0.9987 913 SPBio_000509 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n2ccc(=O)[nH]c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J12 compound treatment -0.0032 -0.00289 -0.28 -9.0E-4 -9.35E-4 -0.07 -0.2513 -0.8564 1055132 SPBio_000510 COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J13 compound treatment 0.0238 0.0241 2.38 0.025 0.025 1.89 3.016 0.9935 3480078 SPBio_000511 CC(C)N(CCC(c1ccccc1)c2cc(C)ccc2O)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J14 compound treatment -0.0042 -0.00389 -0.38 -0.0019 -0.00193 -0.15 -0.3744 -0.9125 2069273 SPBio_000512 N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J15 compound treatment -0.0012 -8.87E-4 -0.09 0.0091 0.00907 0.68 0.422 0.6117 2060469 SPBio_000513 C[C@H]1CC2C3CC[C@](O)(C(=O)COC(=O)C)C3(C)C[C@H](O)C2C4(C)C=CC(=O)C=C14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J16 compound treatment -2.0E-4 1.16E-4 0.01 0.0011 0.00107 0.08 0.0651 0.7991 3177314 SPBio_000514 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CCC=C4C(=O)c3c(O)c2C=C1)[C@@](C/C=C(\C)/C(=O)O)(OC5(C)C)C(=O)O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J17 compound treatment 0.0028 0.00309 0.31 -0.0039 -0.00393 -0.3 0.0057 0.0134 2069250 SPBio_000515 OCC(O)CC(O)CCCCCCCCCCCC#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J18 compound treatment 0.0028 0.00311 0.31 0.0051 0.00507 0.38 0.4875 0.994 1084508 SPBio_000516 COc1ccc2cc3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J19 compound treatment 8.0E-4 0.00111 0.11 0.0031 0.00307 0.23 0.2411 0.9417 3198316 SPBio_000517 C[C@@H]1O[C@@H](OC[C@H]2OC(Oc3c(oc4cc(OCCO)cc(O)c4c3=O)c5ccc(OCCO)c(OCCO)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J20 compound treatment -2.0E-4 1.13E-4 0.01 0.0031 0.00307 0.23 0.1715 0.7402 2069242 SPBio_000518 CC(=CCc1cc(cc(CC=C(C)C)c1O)C(=O)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J21 compound treatment -0.0432 -0.0429 -4.23 -0.071 -0.071 -5.36 -6.782 -0.9932 702 SPBio_000519 CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J22 compound treatment -0.0082 -0.00791 -0.78 -0.0019 -0.00193 -0.15 -0.6547 -0.8251 3172733 SPBio_000520 Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J23 mock treatment -0.0052 -0.00489 -0.48 0.0011 0.00107 0.08 -0.284 -0.5808 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 J24 mock treatment -0.0052 -0.00489 -0.48 -0.0059 -0.00593 -0.45 -0.6579 -0.9993 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K01 mock treatment -0.0072 -0.00689 -0.68 -0.0039 -0.00393 -0.3 -0.6904 -0.9311 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K02 mock treatment -2.0E-4 1.13E-4 0.01 -0.0059 -0.00593 -0.45 -0.309 -0.6894 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K03 compound treatment 8.0E-4 0.00112 0.11 0.0011 0.00107 0.08 0.135 0.9882 2060184 SPBio_000521 CC1CCc2c(O)c3c(=O)cc(C)oc3cc2OC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K04 compound treatment -0.0012 -8.87E-4 -0.09 0.0011 0.00107 0.08 -0.005 -0.0419 3173993 SPBio_000522 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K05 compound treatment -0.0192 -0.0189 -1.87 -0.018 -0.018 -1.36 -2.2783 -0.9878 2060185 SPBio_000523 COc1ccc2[C@@H]3COc4cc(OC)ccc4[C@@H]3Oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K06 compound treatment 0.0048 0.00511 0.5 0.0011 0.00107 0.08 0.4135 0.8099 2069260 SPBio_000524 CC[C@@]1(O)C[C@H](O)c2c(O)c3C(=O)c4c(O)ccc(O)c4C(=O)c3cc2[C@H]1C(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K07 compound treatment -2.0E-4 1.13E-4 0.01 0.014 0.014 1.06 0.7555 0.7145 2060186 SPBio_000525 CC(=O)OC1CCC2(C3CCC4(C)C(CCC54OC2=O)C6=CC(=O)OC6)C(O)(CCC35)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K08 compound treatment -0.0042 -0.00388 -0.38 -0.002 -0.00195 -0.15 -0.3748 -0.9143 2060406 SPBio_000526 COc1ccccc1/C=C\C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K09 compound treatment 8.0E-4 0.00111 0.11 -0.0019 -0.00193 -0.15 -0.0258 -0.1415 2060446 SPBio_000527 CC1(C)[C@@H](O)C=C[C@@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]543)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K10 compound treatment 0.0058 0.00611 0.6 0.0021 0.00207 0.16 0.5366 0.8617 3174367 SPBio_000528 NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K11 compound treatment -0.0082 -0.0079 -0.78 -0.005 -0.00499 -0.38 -0.8175 -0.9445 2060390 SPBio_000529 CC(=O)O[C@H]1CC[C@@]2(C)C(C[C@H](OC(=O)C)[C@]3(C)C2CC[C@@]4(C)C(OC(=O)C=C43)c5ccoc5)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K12 compound treatment 0.0088 0.00909 0.9 0.013 0.013 0.98 1.3296 0.9989 2060082 SPBio_000530 COC(=O)c1cc(OC)c(=O)c2c(OC)c(OC)ccc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K13 compound treatment 0.0108 0.0111 1.09 -0.0089 -0.00893 -0.67 0.2967 0.2308 1111461 SPBio_000531 CC(=CCOc1c2occc2cc3ccc(=O)oc13)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K14 compound treatment -0.0022 -0.00189 -0.19 -0.0029 -0.00293 -0.22 -0.2882 -0.9963 1054271 SPBio_000532 COc1ccc(cc1O)c2cc(=O)c3c(O)c(OC)c(OC)cc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K15 compound treatment 0.0088 0.00911 0.9 0.0031 0.00307 0.23 0.7992 0.8611 3174000 SPBio_000533 C[C@H]1[C@H]2[C@H](CC3C4CC[C@@H]5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@@]61CCC(C)CO6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K16 compound treatment -0.0092 -0.0089 -0.88 0.004 0.00401 0.3 -0.4068 -0.4382 1527 SPBio_000534 COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K17 compound treatment 0.0078 0.0081 0.8 0.0021 0.00207 0.16 0.6754 0.8294 3173615 SPBio_000535 CCC(CCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K18 compound treatment -2.0E-4 1.13E-4 0.01 -0.0059 -0.00593 -0.45 -0.3089 -0.6894 1001 SPBio_000536 CN(C)CCOC(=O)COc1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K19 compound treatment -0.0092 -0.0089 -0.88 -0.006 -0.00599 -0.45 -0.9406 -0.9526 2060206 SPBio_000537 CCC(CCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K20 compound treatment 0.0018 0.00212 0.21 -0.0049 -0.00493 -0.37 -0.1157 -0.271 1065857 SPBio_000538 NC(CNC(=O)N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K21 compound treatment 0.0198 0.0201 1.98 0.023 0.023 1.74 2.6306 0.9979 2069265 SPBio_000539 C[C@@]12CCC3C(CC[C@H]4CC(=O)CC[C@@]43C)C2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K22 compound treatment 0.0038 0.00411 0.41 0.0051 0.00507 0.38 0.5573 0.9996 981 SPBio_000540 CCCCCCCCCCCCCCCC[n+]1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K23 mock treatment -0.0052 -0.00489 -0.48 0.0021 0.00207 0.16 -0.2308 -0.4553 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 K24 mock treatment -0.0112 -0.0109 -1.08 -0.0089 -0.00893 -0.67 -1.2378 -0.9747 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L01 mock treatment -0.0082 -0.00789 -0.78 -0.01 -0.00997 -0.75 -1.0826 -0.9999 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L02 mock treatment -0.0052 -0.00489 -0.48 -0.0029 -0.00293 -0.22 -0.4976 -0.9376 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L03 compound treatment -0.0012 -8.87E-4 -0.09 -0.035 -0.035 -2.64 -1.929 -0.7301 1009258 SPBio_000541 O=C1NC(=O)C(=O)C(=O)N1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L04 compound treatment 0.0048 0.0051 0.5 0.004 0.00403 0.3 0.5708 0.9708 2069264 SPBio_000542 C[C@@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@@]43C)C2CC[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L05 compound treatment -0.0032 -0.0029 -0.29 -0.003 -0.00299 -0.23 -0.362 -0.9933 857 SPBio_000543 O=C(OCc1ccccc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L06 compound treatment -0.0092 -0.00891 -0.88 1.0E-4 6.8E-5 0.01 -0.6177 -0.703 1009367 SPBio_000544 OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L07 compound treatment 0.0108 0.0111 1.1 0.011 0.011 0.83 1.3619 0.9907 1021 SPBio_000545 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(CC[C@]45O)C6=CC(=O)OC6)C2)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L08 compound treatment -0.0012 -8.97E-4 -0.09 0.007 0.00701 0.53 0.3114 0.5807 991 SPBio_000546 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L09 compound treatment -0.0092 -0.00889 -0.88 -0.0069 -0.00693 -0.52 -0.9901 -0.9696 1147 SPBio_000547 COc1c2ccoc2cc3oc(=O)ccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L10 compound treatment 0.0118 0.0121 1.19 -0.0019 -0.00193 -0.15 0.7402 0.6159 1000126 SPBio_000548 C[C@H](CCC(=O)O)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L11 compound treatment -0.0032 -0.00289 -0.28 -0.0029 -0.00293 -0.22 -0.3581 -0.9923 2060361 SPBio_000549 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]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)(CO)C5CC[C@]43C)C2CC1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L12 compound treatment -0.0022 -0.00189 -0.19 -0.0109 -0.0109 -0.83 -0.7154 -0.8453 2060057 SPBio_000550 COC(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)C)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L13 compound treatment -0.0222 -0.0219 -2.16 -0.009 -0.00899 -0.68 -2.0075 -0.8866 2060456 SPBio_000551 C[C@@H]1CC(Cl)CC[C@H]1C(=O)OC(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L14 compound treatment -0.0142 -0.0139 -1.37 -0.0049 -0.00493 -0.37 -1.2335 -0.8677 2060413 SPBio_000552 CC(C)CCCC(C)[C@H]1CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L15 compound treatment -0.0152 -0.0149 -1.47 -0.025 -0.025 -1.89 -2.3734 -0.9924 2060378 SPBio_000553 Oc1nc2cc(Cl)c(Cl)cc2nc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L16 compound treatment -0.0272 -0.0269 -2.65 -0.0179 -0.0179 -1.35 -2.8321 -0.9513 1011559 SPBio_000554 Cc1cc(=O)oc2cc(O)c(O)cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L17 compound treatment 0.0068 0.0071 0.7 1.0E-4 6.51E-5 0.0 0.4989 0.7121 3055475 SPBio_000555 COc1ccc(/C=C/C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L18 compound treatment 0.0028 0.00311 0.31 -0.0029 -0.00293 -0.22 0.0605 0.1597 2060366 SPBio_000556 CC1(C)C=CC(=O)[C@@]2(C)C1CC(=O)[C@]3(C)C2CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L19 compound treatment -0.0012 -8.82E-4 -0.09 -0.0019 -0.00193 -0.15 -0.1647 -0.9695 1187 SPBio_000557 C[C@@]12CCC3C(CCc4cc(OS(=O)(=O)O)ccc34)C2CC[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L20 compound treatment -0.0142 -0.0139 -1.37 -0.0079 -0.00793 -0.6 -1.3922 -0.9312 2060045 SPBio_000558 CC(=C)/C=C\1/C=CC(=O)C(=C1)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L21 compound treatment -0.0072 -0.00688 -0.68 -0.006 -0.00595 -0.45 -0.7976 -0.98 1052338 SPBio_000559 COc1cc2C(C)NCCc2cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L22 compound treatment -0.0022 -0.00188 -0.19 -0.0019 -0.00193 -0.15 -0.2345 -0.9929 3172727 SPBio_000560 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L23 mock treatment -0.0032 -0.00289 -0.29 -9.0E-4 -9.32E-4 -0.07 -0.2513 -0.856 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 L24 mock treatment -0.0072 -0.00689 -0.68 -0.0069 -0.00693 -0.52 -0.8506 -0.9917 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M01 mock treatment 0.0028 0.00311 0.31 0.028 0.028 2.12 1.713 0.8013 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M02 mock treatment 0.0108 0.0111 1.09 0.0071 0.00707 0.53 1.1507 0.9455 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M03 compound treatment -0.0032 -0.00289 -0.29 -0.013 -0.013 -0.98 -0.8941 -0.8765 2060155 SPBio_000561 COC(=O)[C@@H]1OC(=O)C2OC23[C@@]1(C)CCC4[C@@]5(C)[C@H](C[C@@H](OC(=O)C)C(C)(C)C5C[C@@H](O)[C@]43C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M04 compound treatment -0.0032 -0.00289 -0.29 0.0061 0.00607 0.46 0.1223 0.2268 2060215 SPBio_000562 CC1(C)C2C=C[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)C5OC543)c6ccoc6)[C@@]2(C)C=CC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M05 compound treatment 0.0068 0.00711 0.7 -0.0019 -0.00193 -0.15 0.3928 0.5481 1010376 SPBio_000563 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M06 compound treatment 8.0E-4 0.00112 0.11 0.0091 0.00907 0.68 0.562 0.8105 3173759 SPBio_000564 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(OC4O[C@@H]5COC(C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M07 compound treatment 0.0368 0.0371 3.66 0.005 0.00501 0.38 2.8551 0.776 1326 SPBio_000565 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M08 compound treatment 0.0318 0.0321 3.17 0.011 0.011 0.83 2.827 0.8637 1015281 SPBio_000566 COc1cc(O)c(C(=O)C)c(OC)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M09 compound treatment -0.1878 -0.187 -18.49 -0.1431 -0.143 -10.8 -20.7167 -0.9672 1570 SPBio_000567 CCCC(C)C1(CC=C)C(=O)NC(=NC1=O)S 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M10 compound treatment -0.0012 -8.97E-4 -0.09 0.006 0.00601 0.45 0.258 0.5585 1473 SPBio_000568 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M11 compound treatment -0.0052 -0.0049 -0.48 0.001 0.00101 0.08 -0.2879 -0.5888 2060408 SPBio_000569 COC(=O)C[C@H]1C(C)(C)[C@H](C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M12 compound treatment 0.0048 0.00509 0.5 -0.0019 -0.00193 -0.15 0.252 0.4818 2069338 SPBio_000570 CC(=O)O[C@@H]1Cc2c(OC(=O)C)cc(OC(=O)C)cc2O[C@@H]1c3ccc(OC(=O)C)c(OC(=O)C)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M13 compound treatment 0.0028 0.00311 0.31 0.01 0.01 0.76 0.7523 0.921 1050335 SPBio_000571 COc1cc(OC)c(C=O)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M14 compound treatment 0.0098 0.0101 1.0 0.0081 0.00807 0.61 1.1359 0.972 1950 SPBio_000572 Oc1cc2oc(cc(=O)c2c(O)c1O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M15 compound treatment 0.0568 0.0571 5.63 0.0061 0.00607 0.46 4.3059 0.7621 3198311 SPBio_000573 Cc1cc(O)c(C=O)c2Oc3c(C)c(C(=O)O)c(O)c(COC(=O)/C=C/C(=O)O)c3OC(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M16 compound treatment 0.0018 0.00211 0.21 0.013 0.013 0.98 0.8425 0.8382 832189 SPBio_000574 CC(=O)CC(=O)CCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M17 compound treatment -0.0402 -0.0399 -3.94 -0.047 -0.047 -3.55 -5.2912 -0.9986 1597 SPBio_000575 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CC6C=C4C(=O)c3c(O)c2C=C1)C(C/C=C(/C)\C(=O)O)(OC5(C)C)C6=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M18 compound treatment 0.0048 0.00511 0.5 0.0031 0.00307 0.23 0.5202 0.9376 780 SPBio_000576 CC(C)NNC(=O)c1ccncc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M19 compound treatment 0.0118 0.0121 1.19 0.0021 0.00207 0.16 0.9535 0.7928 2060116 SPBio_000577 CCC(=O)OC1[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@](C)([C@@H](CC(=O)OC)C1(C)C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M20 compound treatment 0.0058 0.00611 0.6 0.038 0.038 2.87 2.4564 0.8373 3173091 SPBio_000578 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)C(O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3OC4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M21 compound treatment 0.0148 0.0151 1.49 0.013 0.013 0.98 1.7481 0.9798 1071570 SPBio_000579 CCOC(=O)c1c(C)cc(O)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M22 compound treatment 0.0078 0.00811 0.8 0.012 0.012 0.91 1.2077 0.998 3172862 SPBio_000580 O=c1cccc2C3CNC[C@@H](C3)Cn21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M23 mock treatment 0.0078 0.00811 0.8 -9.0E-4 -9.32E-4 -0.07 0.5159 0.6424 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 M24 mock treatment 0.0188 0.0191 1.88 0.0041 0.00407 0.31 1.5487 0.8116 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N01 mock treatment 0.0018 0.00211 0.21 0.0051 0.00507 0.38 0.4177 0.9591 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N02 mock treatment 0.0088 0.00911 0.9 0.0031 0.00307 0.23 0.7992 0.8612 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N03 compound treatment 0.0088 0.00911 0.9 0.0051 0.00507 0.38 0.9061 0.9275 3471725 SPBio_000581 CC1(C)SC2C(NC(=O)C(N=C)c3ccccc3)C(=O)N2C1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N04 compound treatment 0.0218 0.0221 2.18 0.023 0.023 1.74 2.77 0.9937 3173106 SPBio_000582 COC(=O)c1c(C)c2Oc3c(Cl)c(O)c(Cl)c(C)c3C(=O)Oc2c(C)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N05 compound treatment 0.0028 0.00311 0.31 0.0021 0.00207 0.16 0.3274 0.9508 3474304 SPBio_000583 COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N06 compound treatment 0.0068 0.00711 0.7 0.0051 0.00507 0.38 0.7663 0.9593 2069253 SPBio_000584 CC(C)/C(=C/1\C2[C@@]34OC5(C)O[C@@]4([C@H](O)C(O)[C@@]2(C)[C@@H](OC1=O)c6ccoc6)[C@]7(C)[C@@H](CC(=O)O)C8(C)CC7(O5)[C@](O)(C8O)[C@H]3O)/O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N07 compound treatment 0.0088 0.0091 0.9 0.0 5.14E-6 0.0 0.6352 0.7074 1001621 SPBio_000585 Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N08 compound treatment 0.0028 0.00309 0.31 0.003 0.00303 0.23 0.3772 0.9898 1101 SPBio_000586 CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4[C@@H](O)CC3(C)[C@@]2(O1)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N09 compound treatment 0.0088 0.00909 0.9 0.01 0.01 0.76 1.1694 0.9964 789 SPBio_000587 C[N+]1(C)C2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N10 compound treatment -2.0E-4 1.13E-4 0.01 0.0081 0.00807 0.61 0.4385 0.7199 3173360 SPBio_000588 CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4CCCC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N11 compound treatment 0.0088 0.00911 0.9 0.0081 0.00807 0.61 1.0661 0.982 2060466 SPBio_000589 OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N12 compound treatment 0.0078 0.00809 0.8 0.017 0.017 1.29 1.4734 0.9737 2060311 SPBio_000590 CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4CC(=O)CC[C@]4(C)C3C=C[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N13 compound treatment 0.0048 0.0051 0.5 0.007 0.00701 0.53 0.7299 0.9997 3172984 SPBio_000591 COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N14 compound treatment 0.0028 0.00312 0.31 0.0081 0.00807 0.61 0.6481 0.9499 2060399 SPBio_000592 CC(C)CCCC(C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N15 compound treatment 0.0048 0.00511 0.5 0.0091 0.00907 0.68 0.8406 0.9887 911 SPBio_000593 CCCCCC(C)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N16 compound treatment 0.0028 0.00311 0.31 0.008 0.00803 0.61 0.6455 0.9504 2060079 SPBio_000594 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CC6C=C4C(=O)c3c(O)c2C=C1)C(C/C=C(/C)\C(=O)O)(OC5(C)C)C6O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N17 compound treatment 0.0088 0.0091 0.9 0.009 0.00903 0.68 1.1167 0.9907 1001451 SPBio_000595 Cc1cc(C)cc(OCC2CNC(=O)O2)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N18 compound treatment 0.0098 0.0101 1.0 0.0061 0.00607 0.46 1.0278 0.9379 1600 SPBio_000596 CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N19 compound treatment 0.0098 0.0101 1.0 1.0E-4 6.51E-5 0.0 0.7074 0.7106 1470 SPBio_000597 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N20 compound treatment 0.0138 0.0141 1.39 0.0051 0.00507 0.38 1.2533 0.8694 2060071 SPBio_000598 CCOC(=O)c1c(C)cc(O)c(C=O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N21 compound treatment -0.021 -0.0207 -2.04 -0.045 -0.045 -3.4 -3.8456 -0.9703 399 SPBio_000599 Nc1nc2ccc(OC(F)(F)F)cc2s1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N22 compound treatment 0.0018 0.00211 0.21 -0.0019 -0.00193 -0.15 0.044 0.1732 3172726 SPBio_000600 C[C@]12C3CCC(O3)[C@]2(C)C(=O)OC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N23 mock treatment 0.0068 0.00711 0.7 -0.011 -0.011 -0.83 -0.0898 -0.0828 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 N24 mock treatment 0.0028 0.00311 0.31 0.0011 0.00107 0.08 0.274 0.8632 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O01 mock treatment -0.0032 -0.00289 -0.29 -0.0049 -0.00493 -0.37 -0.465 -0.9913 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O02 mock treatment 8.0E-4 0.00111 0.11 -0.0049 -0.00493 -0.37 -0.186 -0.4789 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O03 compound treatment -0.0042 -0.00388 -0.38 -0.007 -0.00695 -0.53 -0.6417 -0.9879 2060228 SPBio_000601 COC(=O)CC1[C@@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C=C4[C@]53O[C@]2(O)[C@@H]([C@H]5OC(=O)C)C(OC(=O)C)C1(C)C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O04 compound treatment 8.0E-4 0.00112 0.11 0.0031 0.00307 0.23 0.2414 0.9422 1129781 SPBio_000602 COc1ccc(cc1)c2cc(=O)c3c(OC)cc(OC)cc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O05 compound treatment -0.0042 -0.00388 -0.38 -0.002 -0.00195 -0.15 -0.3748 -0.9143 2060178 SPBio_000603 CC12C[C@@H](O)C3C(CCC4CC(O)CCC43C)C2(O)CCC1C5=CC(=O)OC5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O06 compound treatment -0.0262 -0.0259 -2.56 -0.033 -0.033 -2.49 -3.5673 -0.9999 2060451 SPBio_000604 CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O07 compound treatment 0.0198 0.0201 1.98 0.013 0.013 0.98 2.0964 0.9474 2060209 SPBio_000605 COc1cc2OCC3Oc4c(C(=O)O)c(O)ccc4C(=O)C3(O)c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O08 compound treatment -0.0042 -0.00388 -0.38 -0.0049 -0.00493 -0.37 -0.5339 -0.9999 3174226 SPBio_000606 CC[N+](C)(C)Cc1ccc(Br)cc1.Cc1ccc(cc1)S(=O)(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O09 compound treatment -0.0062 -0.0059 -0.58 -0.011 -0.011 -0.83 -0.9983 -0.9849 2060130 SPBio_000607 COc1ccc(cc1)[C@@H](C)C(=O)c2ccc(O)cc2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O10 compound treatment -0.0012 -8.87E-4 -0.09 -0.0019 -0.00193 -0.15 -0.1652 -0.97 3263 SPBio_000608 CNC(C)(C)Cc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O11 compound treatment -2.0E-4 1.13E-4 0.01 -0.0049 -0.00493 -0.37 -0.2556 -0.6857 2060064 SPBio_000609 CCC(C)C(=O)OC1[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@](C)([C@@H](CC(=O)OC)C1(C)C)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O12 compound treatment -0.0012 -8.97E-4 -0.09 0.002 0.00201 0.15 0.0444 0.2534 1231 SPBio_000610 CC(C)C[C@H](NC(=O)C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O13 compound treatment -0.0142 -0.0139 -1.37 0.0031 0.00307 0.23 -0.8057 -0.5795 2060078 SPBio_000611 COc1cc2OC[C@H]3Oc4c(CC=C(C)C)c(O)ccc4C(=O)[C@H]3c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O14 compound treatment 0.0088 0.00911 0.9 0.0051 0.00507 0.38 0.9058 0.9275 2060471 SPBio_000612 C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]3C(=CC(=O)C3=C(C)C[C@@H]2O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O15 compound treatment -2.0E-4 1.16E-4 0.01 -9.0E-4 -9.35E-4 -0.07 -0.0418 -0.5854 1009294 SPBio_000613 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O16 compound treatment -2.0E-4 1.13E-4 0.01 0.0021 0.00207 0.16 0.1181 0.7555 3055313 SPBio_000614 CC(C)[C@@]12O[C@H]2[C@@H]3O[C@]34[C@]5(O[C@H]5C[C@H]6C7=C(CC[C@@]64C)C(=O)OC7)C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O17 compound treatment 0.0038 0.00409 0.4 0.0011 0.00107 0.08 0.3423 0.8316 1112402 SPBio_000615 COc1ccc2ccc(=O)oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O18 compound treatment -0.0022 -0.00189 -0.19 -0.0019 -0.00193 -0.15 -0.2348 -0.9927 2559 SPBio_000616 CC(=O)O[Cd]OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O19 compound treatment -0.0132 -0.0129 -1.27 -0.015 -0.015 -1.13 -1.6965 -0.9983 1016781 SPBio_000617 OC(=O)c1cc(O)c(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O20 compound treatment 0.0178 0.0181 1.78 0.0111 0.0111 0.84 1.8526 0.9402 1120 SPBio_000618 Oc1ccc(cc1[N+](=O)[O-])[As](=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O21 compound treatment 8.0E-4 0.00112 0.11 -0.0039 -0.00393 -0.3 -0.1323 -0.4175 2060044 SPBio_000619 CC(=O)Oc1cc(cc(OC(=O)C)c1OC(=O)C)c2coc3cc(OC(=O)C)c(OC(=O)C)c(OC(=O)C)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O22 compound treatment -0.0022 -0.0019 -0.19 -0.007 -0.00695 -0.53 -0.5036 -0.9035 2060156 SPBio_000620 CCC(C)C(O)C(=O)O[C@H]1[C@H](OC=O)C(C(=C)C2(O)C(=O)C[C@@H](c3ccoc3)[C@]12C)[C@]4(C)C(CC(=O)OC)[C@@](C)(COC(=O)C)OC(=O)C[C@@H]4OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O23 mock treatment -0.0012 -8.84E-4 -0.09 -0.0039 -0.00393 -0.3 -0.2716 -0.8778 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 O24 mock treatment 0.0018 0.00211 0.21 0.0041 0.00407 0.31 0.3645 0.9822 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P01 mock treatment -0.0042 -0.00389 -0.38 -0.0059 -0.00593 -0.45 -0.588 -0.997 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P02 mock treatment 0.0018 0.00211 0.21 0.0061 0.00607 0.46 0.4711 0.9363 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P03 compound treatment -0.0062 -0.00589 -0.58 -0.0029 -0.00293 -0.22 -0.5673 -0.9127 1001332 SPBio_000621 CN(C)CCC[C@]1(OCc2cc(C#N)ccc21)c3ccc(F)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P04 compound treatment -0.0062 -0.00589 -0.58 -0.0029 -0.00293 -0.22 -0.5674 -0.9126 2060433 SPBio_000622 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P05 compound treatment -0.0022 -0.00188 -0.19 -0.0069 -0.00693 -0.52 -0.5015 -0.9028 1228 SPBio_000623 CC[Hg]Sc1ccccc1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P06 compound treatment -0.0072 -0.0069 -0.68 -0.005 -0.00499 -0.38 -0.7477 -0.9612 336 SPBio_000624 COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(=O)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P07 compound treatment -0.0032 -0.00288 -0.28 0.0041 0.00407 0.31 0.016 0.0382 1210108 SPBio_000625 Oc1ccc2cccc(O)c(=O)c2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P08 compound treatment -0.0172 -0.0169 -1.66 -0.0109 -0.0109 -0.83 -1.7609 -0.9476 1043 SPBio_000626 O[Hg]c1c(O)c(Br)cc2c(c3ccccc3C(=O)O)c4cc(Br)c(=O)cc4oc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P09 compound treatment -0.0082 -0.00789 -0.78 -0.0029 -0.00293 -0.22 -0.7068 -0.8737 932 SPBio_000627 NCCCCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P10 compound treatment -0.0062 -0.00588 -0.58 -0.0029 -0.00293 -0.22 -0.567 -0.9128 2060324 SPBio_000628 CC12CC[C@@H]3[C@H](CC3(C)C)C(=C)CC2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P11 compound treatment -0.0062 -0.00589 -0.58 -0.0029 -0.00293 -0.22 -0.5672 -0.9126 1032444 SPBio_000629 CC(=O)Oc1c(C)cccc1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P12 compound treatment 0.0028 0.00309 0.31 0.0031 0.00307 0.23 0.3793 0.9907 2060355 SPBio_000630 CC1=C(C=C)/C(=C/c2[nH]c(Cc3[nH]c(\C=C\4/NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)/NC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P13 compound treatment 0.0038 0.00409 0.4 0.011 0.011 0.83 0.874 0.9448 1578 SPBio_000631 CC1=NCCc2c1[nH]c3cc(O)ccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P14 compound treatment -2.0E-4 1.13E-4 0.01 -0.0019 -0.00193 -0.15 -0.0954 -0.6515 3174615 SPBio_000632 CC(C)CCCC(C)[C@H]1CCC2C3CC=C4CC(=O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P15 compound treatment -0.0062 -0.00589 -0.58 -0.0019 -0.00193 -0.15 -0.5138 -0.8581 3173998 SPBio_000633 CC(=O)O[C@@H]1C2CC[C@@H]3C1(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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P16 compound treatment -0.0032 -0.00289 -0.28 0.009 0.00903 0.68 0.2804 0.3797 3173217 SPBio_000634 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)[C@@H]6OC)C(C[C@H]2O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P17 compound treatment -0.0022 -0.00189 -0.19 0.0041 0.00407 0.31 0.0853 0.2375 2069287 SPBio_000635 CCCCCC1C(CC(=O)OC)CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P18 compound treatment 0.0048 0.0051 0.5 -0.0039 -0.00393 -0.3 0.1458 0.2495 425 SPBio_000636 Oc1ccc(cc1)c2coc3cc(O)cc(O)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P19 compound treatment -0.0032 -0.00288 -0.28 -0.0039 -0.00393 -0.3 -0.4111 -0.9998 1229 SPBio_000637 CC(=O)N[C@H]1[C@@H](O)C[C@](O)(O[C@@H]1C(O)[C@H](O)CO)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P20 compound treatment 0.0078 0.00809 0.8 0.0041 0.00407 0.31 0.7815 0.9138 2060371 SPBio_000638 COC(=O)C[C@H]1C(C)(C)C2(O)OC34CC2C(=O)[C@]1(C)C4CC[C@@]5(C)[C@@H](OC(=O)C=C35)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P21 compound treatment -0.0022 -0.00189 -0.19 -0.0069 -0.00693 -0.52 -0.5019 -0.9032 2070 SPBio_000639 COc1ccc(cc1)c2coc3cc(O)ccc3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P22 compound treatment -0.0042 -0.0039 -0.38 -0.014 -0.014 -1.06 -1.0189 -0.9063 1000253 SPBio_000640 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P23 mock treatment 8.0E-4 0.00111 0.11 0.0031 0.00307 0.23 0.2412 0.9419 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2159 P24 mock treatment -0.0012 -8.87E-4 -0.09 0.0051 0.00507 0.38 0.2085 0.5315 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A01 mock treatment -0.0043 -0.00425 -0.42 0.0043 0.00429 0.32 -0.0673 -0.1272 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A02 mock treatment -0.0013 -0.00125 -0.12 -0.0047 -0.00471 -0.36 -0.3385 -0.8994 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A03 compound treatment -0.0013 -0.00125 -0.12 3.0E-4 2.89E-4 0.02 -0.0716 -0.5726 2060176 SPBio_000641 CC(=O)/C=C\[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A04 compound treatment -0.0012 -0.00125 -0.12 0.0013 0.00129 0.1 -0.0182 -0.1164 3057756 SPBio_000642 C1CCN2C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]2C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A05 compound treatment 8.0E-4 7.53E-4 0.07 -0.0017 -0.00171 -0.13 -0.0388 -0.2607 1016582 SPBio_000643 COc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A06 compound treatment -3.0E-4 -2.5E-4 -0.02 -0.0027 -0.00271 -0.2 -0.1622 -0.7867 1151 SPBio_000644 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A07 compound treatment -0.0173 -0.0173 -1.71 -0.0208 -0.0208 -1.57 -2.3135 -0.9991 3054108 SPBio_000645 Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A08 compound treatment -0.0072 -0.00725 -0.71 3.0E-4 2.89E-4 0.02 -0.4899 -0.6852 1023016 SPBio_000646 COc1ccc2ccc(=O)oc2c1CC=C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A09 compound treatment -0.0083 -0.00825 -0.81 -0.0067 -0.00671 -0.51 -0.9335 -0.974 2060374 SPBio_000647 CCC(C)C(OC(=O)C)C(=O)O[C@H]1[C@H](O)C2[C@@]3(C)C=CC(=O)C(C)(C)C3C[C@@H](OC(=O)C(O)C(C)C)[C@@]2(C)[C@]45O[C@@H]5C[C@@H](c6ccoc6)[C@]14C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A10 compound treatment -0.0012 -0.00125 -0.12 -0.0047 -0.00471 -0.36 -0.3383 -0.8992 2549 SPBio_000648 C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A11 compound treatment -0.0022 -0.00225 -0.22 0.0013 0.00129 0.1 -0.088 -0.3638 2069225 SPBio_000649 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c5c(=O)c(O)cc(cc45)[C@H]6Oc7cc(O)cc(O)c7C[C@H]6OC(=O)c8cc(O)c(O)c(O)c8 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A12 compound treatment -0.0092 -0.00925 -0.91 -7.0E-4 -7.12E-4 -0.05 -0.683 -0.7475 3059440 SPBio_000650 OC(=O)C1CC(CN2CCCCC12)[C@@H]3CCCCN3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A13 compound treatment -0.0033 -0.0033 -0.33 0.0012 0.0012 0.09 -0.166 -0.4916 2546 SPBio_000651 COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A14 compound treatment -0.0093 -0.00926 -0.91 2.0E-4 1.99E-4 0.02 -0.6351 -0.6954 2060439 SPBio_000652 COC1=C(OC)C(=O)C(=C(C)C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC\C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A15 compound treatment -0.0053 -0.00525 -0.52 -0.0077 -0.00771 -0.58 -0.7776 -0.9983 3078460 SPBio_000653 CO/N=C(\C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)/C=C\c3scnc3C)/c4csc(N)n4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A16 compound treatment -2.0E-4 -2.45E-4 -0.02 0.0102 0.0102 0.77 0.53 0.6847 1307902 SPBio_000654 CN1CCCCC1c2ccc(nc2)c3cccnc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A17 compound treatment 0.0028 0.00275 0.27 -0.0027 -0.00271 -0.2 0.0474 0.1392 2575 SPBio_000655 CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A18 compound treatment -0.0023 -0.00225 -0.22 -0.0057 -0.00571 -0.43 -0.4619 -0.9523 3078270 SPBio_000656 CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A19 compound treatment -0.2022 -0.202 -19.94 -0.1997 -0.2 -15.08 -24.7639 -0.9905 3480341 SPBio_000657 CN1CCCC(CC1)n2nc(Cc3ccc(Cl)cc3)c4ccccc4c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A20 compound treatment 0.0087 0.00871 0.86 0.0123 0.0122 0.92 1.2616 0.9993 1204574 SPBio_000658 COc1c(oc2cc3oc(=O)ccc3cc12)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A21 compound treatment 0.0017 0.00175 0.17 0.0043 0.00429 0.32 0.351 0.9566 1351 SPBio_000659 Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A22 compound treatment 0.0068 0.00675 0.67 -0.0067 -0.00675 -0.51 0.1108 0.132 1008178 SPBio_000660 COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A23 mock treatment 0.0048 0.00475 0.47 0.0023 0.00229 0.17 0.4538 0.9079 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 A24 mock treatment 0.0018 0.00175 0.17 0.0033 0.00329 0.25 0.2978 0.9845 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B01 mock treatment -0.0083 -0.00829 -0.82 -0.0098 -0.00975 -0.74 -1.0986 -0.9986 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B02 mock treatment -0.0043 -0.00425 -0.42 -0.0017 -0.00171 -0.13 -0.3876 -0.884 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B03 compound treatment 0.0037 0.00375 0.37 -0.0047 -0.00471 -0.36 0.0101 0.0196 2069255 SPBio_000661 Oc1cc(cc(O)c1O)c2coc3cc(O)c(O)c(O)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B04 compound treatment -0.0043 -0.00425 -0.42 3.0E-4 2.89E-4 0.02 -0.2808 -0.6693 2060101 SPBio_000662 COc1ccc(cc1OC)[C@H]2Oc3c(I)c(OC)cc(OC)c3C[C@@H]2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B05 compound treatment -0.0143 -0.0143 -1.41 -0.0138 -0.0138 -1.04 -1.7285 -0.9888 901 SPBio_000663 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B06 compound treatment -0.0063 -0.00625 -0.62 -0.0098 -0.00975 -0.74 -0.9563 -0.9961 910 SPBio_000664 CN1CC(CNC(=O)OCc2ccccc2)C[C@@H]3C1Cc4cn(C)c5cccc3c45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B07 compound treatment -0.0053 -0.00525 -0.52 -0.0037 -0.00371 -0.28 -0.5644 -0.9584 1315 SPBio_000665 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B08 compound treatment 0.0037 0.00375 0.37 -0.0017 -0.00171 -0.13 0.1703 0.4342 683 SPBio_000666 Cc1ncc([N+](=O)[O-])n1CCO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B09 compound treatment -0.0023 -0.0023 -0.23 -0.0088 -0.0088 -0.66 -0.6301 -0.8975 2069270 SPBio_000667 CC(C)CCCC(C)C1CCC2C3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B10 compound treatment -0.0012 -0.00125 -0.12 3.0E-4 2.85E-4 0.02 -0.0716 -0.5744 3059437 SPBio_000668 OC[C@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B11 compound treatment -0.0042 -0.00425 -0.42 -0.0077 -0.00771 -0.58 -0.7078 -0.9869 1044412 SPBio_000669 Oc1cc2ccccc2oc1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B12 compound treatment 7.0E-4 7.53E-4 0.07 -0.0067 -0.00671 -0.51 -0.3057 -0.5971 1090 SPBio_000670 CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B13 compound treatment -0.0033 -0.0033 -0.33 2.0E-4 1.99E-4 0.02 -0.2194 -0.6737 3198326 SPBio_000671 O[C@@H]1O[C@H](COC(=O)CC[N+](=O)[O-])[C@@H](OC(=O)CC[N+](=O)[O-])[C@H](OC(=O)CC[N+](=O)[O-])[C@H]1OC(=O)CC[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B14 compound treatment -0.0103 -0.0103 -1.02 -0.0028 -0.0028 -0.21 -0.8677 -0.8364 1259 SPBio_000672 CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B15 compound treatment -0.0333 -0.0333 -3.28 -0.0328 -0.0328 -2.47 -4.07 -0.9902 3177521 SPBio_000673 COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B16 compound treatment -0.0083 -0.0083 -0.82 -0.0058 -0.0058 -0.44 -0.8884 -0.9571 2551 SPBio_000674 COc1cc(NC(C)CCCN)c2ncccc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B17 compound treatment -0.0063 -0.00625 -0.62 -0.0017 -0.00171 -0.13 -0.5272 -0.8373 1050602 SPBio_000675 COc1ccc(CC(=O)c2ccc(O)cc2O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B18 compound treatment 7.0E-4 7.52E-4 0.07 -0.0057 -0.00571 -0.43 -0.2525 -0.5771 763 SPBio_000676 CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B19 compound treatment -0.0022 -0.00225 -0.22 -0.0027 -0.00271 -0.2 -0.3015 -0.9992 2069259 SPBio_000677 C[C@@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@@]43C)C2CC[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B20 compound treatment -0.0063 -0.00625 -0.62 -0.0057 -0.00571 -0.43 -0.7408 -0.9847 368 SPBio_000678 CC/C(=C(\c1ccccc1)/c2ccc(OCCN(C)C)cc2)/c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B21 compound treatment -0.0052 -0.00525 -0.52 -0.0037 -0.00371 -0.28 -0.564 -0.9585 3172708 SPBio_000679 CCC(C)C(=O)O[C@H]1[C@H](O)C2C(CN3CC(C)CCC3[C@@]2(C)O)C4C[C@]5(O[C@@]6(O)C7C(OC(=O)C)[C@@H](OC(=O)C)C5[C@@]41O)[C@@]7(C)CCC6OC(=O)C(C)(O)C(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B22 compound treatment -0.0103 -0.0103 -1.01 -0.0068 -0.00676 -0.51 -1.0764 -0.9498 3198420 SPBio_000680 CC[C@]1(O)CC2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B23 mock treatment -0.0032 -0.00325 -0.32 0.0023 0.00229 0.17 -0.1045 -0.2871 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 B24 mock treatment -0.0062 -0.00625 -0.62 0.0053 0.00529 0.4 -0.1532 -0.2087 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C01 mock treatment 0.0028 0.00275 0.27 0.0033 0.00329 0.25 0.3677 0.999 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C02 mock treatment 8.0E-4 7.53E-4 0.07 0.0043 0.00429 0.32 0.2814 0.8473 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C03 compound treatment -0.0032 -0.00325 -0.32 -0.0017 -0.00171 -0.13 -0.3178 -0.9202 2060254 SPBio_000681 CC(=O)CC1CCCCN1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C04 compound treatment 0.0017 0.00175 0.17 0.0063 0.00629 0.47 0.4579 0.9063 2060501 SPBio_000682 CC(C)(OC(=O)c1ccccc1)[C@@H]2Cc3cc4ccc(=O)oc4cc3O2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C05 compound treatment 0.0078 0.00775 0.76 0.0043 0.00429 0.32 0.7698 0.9268 2060245 SPBio_000683 OC[C@H]1O[C@@](CO)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C06 compound treatment -3.0E-4 -2.48E-4 -0.02 -0.0037 -0.00371 -0.28 -0.2154 -0.7659 3177461 SPBio_000684 CN1C2C[C@H](O)[C@@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C07 compound treatment 0.0027 0.00275 0.27 0.0033 0.00329 0.25 0.3674 0.999 2069293 SPBio_000685 CCc1ccc2c(O)c3C(=O)c4c(O)ccc(O)c4C(=O)c3cc2c1C(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C08 compound treatment -0.0033 -0.00325 -0.32 -0.1731 -0.173 -13.07 -9.4653 -0.7242 1296906 SPBio_000686 COc1ccc(C(=O)CC(=O)O)c2OC(C)(C)C=Cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C09 compound treatment 0.0047 0.0047 0.46 0.0043 0.00429 0.32 0.557 0.9846 1092958 SPBio_000687 COC1=CC(=O)C(=CC1=O)C(C=C)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C10 compound treatment 0.0047 0.00475 0.47 -0.0037 -0.00371 -0.28 0.1332 0.2439 1253 SPBio_000688 C[C@H]1OC=C2C(=C(C(=O)O)C(=O)C(=C2[C@@H]1C)C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C11 compound treatment -0.0553 -0.0553 -5.45 -7.0E-4 -7.11E-4 -0.05 -3.8923 -0.714 1262 SPBio_000689 NC[C@H]1CC[C@@H](CC1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C12 compound treatment 0.0067 0.0067 0.66 0.0063 0.00625 0.47 0.8011 0.9863 1216977 SPBio_000690 CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C13 compound treatment 0.0017 0.00175 0.17 0.0043 0.00429 0.32 0.351 0.9566 1000143 SPBio_000691 NC(Cn1ccc(=O)c(O)c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C14 compound treatment -0.0013 -0.00125 -0.12 -0.0017 -0.00171 -0.13 -0.1783 -0.9997 2321 SPBio_000692 COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C15 compound treatment 0.0077 0.00775 0.76 0.0033 0.00329 0.25 0.7163 0.8909 3172716 SPBio_000693 NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C16 compound treatment 0.0047 0.00475 0.47 3.0E-4 2.89E-4 0.02 0.3469 0.7392 3055383 SPBio_000694 CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C17 compound treatment -0.2141 -0.214 -21.12 0.0432 0.0432 3.27 -12.6243 -0.5908 3078461 SPBio_000695 NCCc1ccccc1S(=O)(=O)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C18 compound treatment 0.0027 0.00275 0.27 -0.0037 -0.00371 -0.28 -0.0061 -0.0156 1501 SPBio_000696 NCCc1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C19 compound treatment 0.0027 0.00271 0.27 0.0053 0.00529 0.4 0.4715 0.9811 3198318 SPBio_000697 C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C20 compound treatment 0.0077 0.0077 0.76 0.0042 0.0042 0.32 0.7614 0.9249 1368 SPBio_000698 CCC(C)C(N)C1=NC(CS1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NCCCCC2NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc4ccccc4)NC(=O)C(NC(=O)C(CCCN)NC2=O)C(C)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C21 compound treatment 7.0E-4 7.03E-4 0.07 0.0022 0.0022 0.17 0.1664 0.9249 2141061 SPBio_000699 Cc1cc2nc3c(=O)[nH]c(=O)nc3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C22 compound treatment 7.0E-4 7.52E-4 0.07 0.0053 0.00529 0.4 0.3348 0.8243 2060491 SPBio_000700 CC(C)CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc3ccc(=O)oc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C23 mock treatment 0.0067 0.00675 0.67 0.0053 0.00529 0.4 0.7534 0.9701 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 C24 mock treatment 0.0047 0.00475 0.47 -0.0017 -0.00171 -0.13 0.2402 0.4939 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D01 mock treatment -0.0022 -0.00225 -0.22 3.0E-4 2.89E-4 0.02 -0.1412 -0.6343 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D02 mock treatment -3.0E-4 -2.47E-4 -0.02 3.0E-4 2.85E-4 0.02 -0.0021 -0.0631 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D03 compound treatment -0.0133 -0.0133 -1.31 -0.0087 -0.00871 -0.66 -1.3917 -0.9492 2060503 SPBio_000701 C1Oc2ccc(cc2O1)[C@H]3OC[C@@H]4[C@@H](OC[C@H]34)c5ccc6OCOc6c5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D04 compound treatment 0.0027 0.00275 0.27 -0.0027 -0.00271 -0.2 0.0471 0.1386 1070 SPBio_000702 CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D05 compound treatment -0.0013 -0.00125 -0.12 -0.0037 -0.00371 -0.28 -0.2853 -0.9321 2060397 SPBio_000703 COc1ccc2C(=O)/C(=C/c3ccc(OC)c(O)c3)/COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D06 compound treatment 0.0037 0.0037 0.37 0.0072 0.0072 0.54 0.6426 0.9813 804 SPBio_000704 COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D07 compound treatment 0.0018 0.00175 0.17 -7.0E-4 -7.11E-4 -0.05 0.0843 0.4657 2069258 SPBio_000705 COc1ccc(c(OC)c1O)c2coc3cc(O)ccc3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D08 compound treatment -0.0393 -0.0393 -3.88 -0.0437 -0.0438 -3.3 -5.0758 -0.9968 1091345 SPBio_000706 Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D09 compound treatment -0.0883 -0.0883 -8.71 -0.0688 -0.0688 -5.19 -9.8288 -0.9694 1022 SPBio_000707 COc1cc(OC)c2ccc(=O)oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D10 compound treatment -0.0073 -0.00729 -0.72 -0.0017 -0.00171 -0.13 -0.5996 -0.821 909 SPBio_000708 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D11 compound treatment 0.0057 0.00575 0.57 0.0023 0.00229 0.17 0.5235 0.8825 2060379 SPBio_000709 COc1ccc(cc1)c2coc3c(OC)c(OC)ccc3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D12 compound treatment 0.0027 0.0027 0.27 0.0013 0.00129 0.1 0.2573 0.9066 599 SPBio_000710 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D13 compound treatment 8.0E-4 7.53E-4 0.07 0.0023 0.00229 0.17 0.1747 0.9288 3173357 SPBio_000711 CC(=C)[C@@H]1CC[C@@]2(CCC3[C@H](CCC4[C@@]3(C)CCC5C(C)(C)[C@H](O)CC[C@@]54C)C12)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D14 compound treatment -0.0043 -0.00425 -0.42 3.0E-4 2.85E-4 0.02 -0.281 -0.6699 3173213 SPBio_000712 COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)C(O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D15 compound treatment 8.0E-4 7.53E-4 0.07 0.0023 0.00229 0.17 0.1745 0.929 2069325 SPBio_000713 OC(=O)/C=C/C=C/c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D16 compound treatment -0.0032 -0.00325 -0.32 0.117 0.117 8.83 6.0194 0.681 3078281 SPBio_000714 C[C@H]1OC(C(O)[C@@H]1O)n2cc(F)c(=O)[nH]c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D17 compound treatment 0.0067 0.00671 0.66 0.0023 0.00229 0.17 0.5904 0.8628 3173762 SPBio_000715 CC1OC(O[C@@H]/2CC3O[C@@](O)(C[C@H](O)C3C(=O)O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C2)C(O)[C@H](N)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D18 compound treatment -0.0032 -0.00325 -0.32 -0.0037 -0.00371 -0.28 -0.4248 -0.9978 1477 SPBio_000716 O=C1O[Pt]OC(=O)C21CCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D19 compound treatment 0.0037 0.00375 0.37 0.0173 0.0172 1.3 1.1826 0.8735 1907763 SPBio_000717 Oc1ccc(/C=C/C(=O)OCCc2ccccc2)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D20 compound treatment 0.0027 0.00275 0.27 0.0083 0.00825 0.62 0.6324 0.9308 1475 SPBio_000718 Cl[Pt]Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D21 compound treatment 7.0E-4 7.53E-4 0.07 -7.0E-4 -7.11E-4 -0.05 0.0146 0.1589 1913676 SPBio_000719 COc1ccc(cc1)C(=O)/C=C/c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D22 compound treatment 0.0027 0.00275 0.27 -0.0017 -0.00171 -0.13 0.1005 0.3341 2080598 SPBio_000720 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D23 mock treatment 0.0048 0.00475 0.47 0.0063 0.00629 0.47 0.6674 1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 D24 mock treatment 0.0057 0.00571 0.56 3.0E-4 2.89E-4 0.02 0.4139 0.734 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E01 mock treatment 0.0038 0.00375 0.37 0.0013 0.00129 0.1 0.3305 0.8632 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E02 mock treatment 0.0028 0.00275 0.27 0.0013 0.00129 0.1 0.2607 0.9037 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E03 compound treatment 0.0127 0.0128 1.26 0.0113 0.0113 0.85 1.4921 0.982 2060173 SPBio_000721 CC(C)C1CCC(C)(O)C2CCC(=CC12)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E04 compound treatment 8.0E-4 7.53E-4 0.07 -0.0057 -0.00571 -0.43 -0.2524 -0.5769 2060454 SPBio_000722 Oc1cc(O)c2c(=O)cc(oc2c1)c3cc(O)c(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E05 compound treatment 0.0018 0.00175 0.17 -7.0E-4 -7.11E-4 -0.05 0.0844 0.466 3174242 SPBio_000723 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E06 compound treatment -3.0E-4 -2.5E-4 -0.02 -0.0027 -0.00271 -0.2 -0.1622 -0.7867 1482 SPBio_000724 CN1CCc2cc3OCOc3cc2C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E07 compound treatment -0.002 -0.002 -0.2 -0.003 -0.003 -0.23 -0.2995 -0.9976 1000946 SPBio_000725 COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E08 compound treatment -3.0E-4 -2.97E-4 -0.03 -0.0018 -0.0018 -0.14 -0.1169 -0.8403 1398 SPBio_000726 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E09 compound treatment -3.0E-4 -2.47E-4 -0.02 -0.0037 -0.00371 -0.28 -0.2153 -0.7658 3078462 SPBio_000727 [Na+].[O-]C(=O)CF 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E10 compound treatment -0.0083 -0.00829 -0.82 -0.0098 -0.00975 -0.74 -1.0986 -0.9986 1588 SPBio_000728 CC(=O)C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(=O)C)C2(C)C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E11 compound treatment 8.0E-4 7.53E-4 0.07 -0.0037 -0.00371 -0.28 -0.1456 -0.5024 465 SPBio_000729 NCCc1c[nH]cn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E12 compound treatment 0.0027 0.00275 0.27 0.0013 0.00129 0.1 0.2606 0.9038 2060490 SPBio_000730 C/C=C(\C)/C(=O)O[C@H]1[C@@H](OC(=O)C)C(C)(C)Oc2ccc3ccc(=O)oc3c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E13 compound treatment 7.0E-4 7.52E-4 0.07 -0.0077 -0.00771 -0.58 -0.3592 -0.612 1000060 SPBio_000731 COC(=O)C1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E14 compound treatment 8.0E-4 7.53E-4 0.07 3.0E-4 2.89E-4 0.02 0.0679 0.8779 1000136 SPBio_000732 CC12CCC3C(=CCc4cc(O)ccc34)C2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E15 compound treatment -3.0E-4 -2.47E-4 -0.02 3.0E-4 2.89E-4 0.02 -0.0018 -0.0553 1243 SPBio_000733 OC[C@H]1OC(C[C@H]1O)n2cc(F)c(=O)[nH]c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E16 compound treatment -0.0082 -0.00825 -0.81 -0.0118 -0.0118 -0.89 -1.2025 -0.9991 2060357 SPBio_000734 CC(=O)O[C@@H]1CC2C(C)(C)CCC(=O)[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E17 compound treatment -0.0043 -0.00425 -0.42 -7.0E-4 -7.11E-4 -0.05 -0.3344 -0.7912 1498 SPBio_000735 OC(=O)P(=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E18 compound treatment -0.0032 -0.00325 -0.32 -0.0017 -0.00171 -0.13 -0.3177 -0.9203 3078271 SPBio_000736 COC(=O)C[C@H]1C(C)(C)[C@H](O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@H](C3=C)[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E19 compound treatment -0.0123 -0.0122 -1.21 -0.0117 -0.0117 -0.88 -1.4794 -0.9882 3198319 SPBio_000737 O=C1O[C@]2(C[C@H]3C=CC2=C1)[C@H]4CCCCN34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E20 compound treatment 0.0018 0.00175 0.17 -0.0037 -0.00371 -0.28 -0.0758 -0.2304 2060049 SPBio_000738 Cc1cc(=O)c2c(O)c(C)c(O)cc2o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E21 compound treatment -3.0E-4 -2.47E-4 -0.02 -0.0057 -0.00571 -0.43 -0.3221 -0.7459 1290 SPBio_000739 OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E22 compound treatment 0.0058 0.00575 0.57 0.0023 0.00229 0.17 0.5235 0.8824 2060435 SPBio_000740 COC(=O)C(OC(=O)C)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@@]34CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC(C3=C)[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E23 mock treatment 8.0E-4 7.53E-4 0.07 3.0E-4 2.89E-4 0.02 0.0679 0.8779 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 E24 mock treatment -0.0032 -0.00325 -0.32 -0.0098 -0.00975 -0.74 -0.747 -0.9305 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F01 mock treatment 0.0028 0.00275 0.27 -7.0E-4 -7.12E-4 -0.05 0.1541 0.5565 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F02 mock treatment 0.0017 0.00175 0.17 -7.0E-4 -7.11E-4 -0.05 0.0841 0.4654 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F03 compound treatment 8.0E-4 7.53E-4 0.07 0.0013 0.00129 0.1 0.1211 0.9912 2060314 SPBio_000741 COC(=O)c1c(C)c2Oc3c(Cl)c(OC)c(Cl)c(C)c3C(=O)Oc2c(C)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F04 compound treatment -0.0022 -0.00225 -0.22 -0.0057 -0.00571 -0.43 -0.4615 -0.9521 1000048 SPBio_000742 CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F05 compound treatment -0.0043 -0.0043 -0.42 -0.0098 -0.0098 -0.74 -0.8229 -0.9651 401 SPBio_000743 COc1cccc2c1cc([N+](=O)[O-])c3c(cc4OCOc4c23)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F06 compound treatment -0.0042 -0.00425 -0.42 -0.0017 -0.00171 -0.13 -0.3876 -0.8844 1537 SPBio_000744 NC(Cc1ccc(F)cc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F07 compound treatment 0.0027 0.00275 0.27 -0.0017 -0.00171 -0.13 0.1007 0.3348 2060376 SPBio_000745 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(=O)C)c3C(=O)c12)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F08 compound treatment -0.0593 -0.0593 -5.85 -0.0658 -0.0658 -4.96 -7.6453 -0.9967 383 SPBio_000746 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccccc5cc4Cn3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F09 compound treatment -0.0013 -0.00125 -0.12 -0.0047 -0.00471 -0.36 -0.3385 -0.8994 1334 SPBio_000747 C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F10 compound treatment -0.0013 -0.00125 -0.12 0.0023 0.00229 0.17 0.0352 0.1657 767 SPBio_000748 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F11 compound treatment -0.0022 -0.00225 -0.22 3.0E-4 2.89E-4 0.02 -0.1413 -0.6344 1314 SPBio_000749 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F12 compound treatment 0.0047 0.0047 0.46 -0.0037 -0.00371 -0.28 0.1299 0.2397 598 SPBio_000750 Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c43 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F13 compound treatment -0.0053 -0.00525 -0.52 -0.0057 -0.00571 -0.43 -0.6709 -0.9959 2060316 SPBio_000751 COc1c2C=CC(C)(C)Oc2cc3occ(c4ccc5OCOc5c4)c(=O)c13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F14 compound treatment -0.0133 -0.0133 -1.31 -0.0098 -0.0098 -0.74 -1.4507 -0.9633 1539 SPBio_000752 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F15 compound treatment -0.0033 -0.0033 -0.33 0.0022 0.0022 0.17 -0.1126 -0.3083 960 SPBio_000753 C1N2CN3CN1CN(C2)C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F16 compound treatment 0.0087 0.00871 0.86 -7.0E-4 -7.11E-4 -0.05 0.5698 0.6617 1371 SPBio_000754 CN(C)c1nc(nc(n1)N(C)C)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F17 compound treatment 0.0207 0.0207 2.04 0.0122 0.0122 0.92 2.0952 0.9353 437 SPBio_000755 CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F18 compound treatment 7.0E-4 7.52E-4 0.07 -0.0067 -0.00675 -0.51 -0.3079 -0.5979 1135 SPBio_000756 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F19 compound treatment 0.0037 0.00375 0.37 0.0053 0.00529 0.4 0.5441 0.9993 1005 SPBio_000757 OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F20 compound treatment 8.0E-4 7.53E-4 0.07 -0.0027 -0.00271 -0.2 -0.0924 -0.424 726 SPBio_000758 CCOC(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F21 compound treatment -0.0012 -0.00125 -0.12 -0.0017 -0.00171 -0.13 -0.1782 -0.9997 3078274 SPBio_000759 N[C@H](CO)Cc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F22 compound treatment -0.0032 -0.00325 -0.32 -7.0E-4 -7.12E-4 -0.05 -0.2644 -0.8144 946 SPBio_000760 OCCNC(=O)Cn1ccnc1[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F23 mock treatment -0.0032 -0.00325 -0.32 -0.0017 -0.00171 -0.13 -0.3179 -0.9203 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 F24 mock treatment -0.0053 -0.00525 -0.52 -0.0027 -0.00271 -0.2 -0.5108 -0.9176 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G01 mock treatment 0.0038 0.00375 0.37 0.0023 0.00229 0.17 0.384 0.9397 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G02 mock treatment 0.0027 0.00275 0.27 -7.0E-4 -7.11E-4 -0.05 0.1538 0.5564 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G03 compound treatment -0.0093 -0.00929 -0.92 -0.0077 -0.00771 -0.58 -1.0593 -0.9761 1107153 SPBio_000761 CC(=O)c1cc2C=CC(C)(C)Oc2cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G04 compound treatment 0.0077 0.00775 0.76 0.0043 0.00429 0.32 0.7697 0.9269 2069251 SPBio_000762 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C[C@H](O)[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@]54[C@]13C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G05 compound treatment 0.0067 0.00675 0.67 0.0023 0.00229 0.17 0.593 0.8619 1984013 SPBio_000763 C/C=C/c1ccc2OCOc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G06 compound treatment 0.0047 0.00475 0.47 0.0043 0.00429 0.32 0.5605 0.9837 3078272 SPBio_000764 [Na+].[O-]S(=O)(=O)CCS 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G07 compound treatment 0.0027 0.00275 0.27 3.0E-4 2.89E-4 0.02 0.2074 0.7615 2561 SPBio_000765 Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G08 compound treatment -0.0053 -0.00525 -0.52 -0.0027 -0.00271 -0.2 -0.5109 -0.9175 1225 SPBio_000766 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G09 compound treatment -0.0023 -0.00225 -0.22 -0.0057 -0.00571 -0.43 -0.4618 -0.9523 2069276 SPBio_000767 COc1cc(cc(OCc2ccccc2)c1OC)c3coc4cc(OCc5ccccc5)c(OC)c(O)c4c3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G10 compound treatment -0.0043 -0.00425 -0.42 0.0013 0.00129 0.1 -0.2274 -0.5287 2060402 SPBio_000768 COc1ccc2CC[C@H]3CC(=O)CC[C@]3(C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G11 compound treatment -0.0032 -0.00325 -0.32 -0.0067 -0.00675 -0.51 -0.5869 -0.975 1001923 SPBio_000769 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G12 compound treatment -3.0E-4 -2.47E-4 -0.02 -0.0138 -0.0138 -1.04 -0.7513 -0.7235 2069256 SPBio_000770 COc1cc2OCOc2cc1/C=C/C(=O)c3cc(OC)c(OC)cc3OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G13 compound treatment 0.0027 0.00275 0.27 -0.0067 -0.00671 -0.51 -0.1663 -0.2893 1189 SPBio_000771 CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G14 compound treatment 8.0E-4 7.53E-4 0.07 0.0013 0.00129 0.1 0.1213 0.9911 703 SPBio_000772 OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G15 compound treatment -0.0062 -0.00625 -0.62 -0.0107 -0.0108 -0.81 -1.0095 -0.9907 866 SPBio_000773 Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G16 compound treatment -0.0053 -0.00525 -0.52 -0.0047 -0.00471 -0.36 -0.6175 -0.9832 976 SPBio_000774 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G17 compound treatment 0.0057 0.0057 0.56 0.0043 0.00425 0.32 0.6246 0.9645 1105 SPBio_000775 CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G18 compound treatment -2.0E-4 -2.45E-4 -0.02 -7.0E-4 -7.11E-4 -0.05 -0.0551 -0.9353 2060370 SPBio_000776 COc1cc2OCOc2cc1c3coc4c5C=CC(C)(C)Oc5c(OC)cc4c3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G19 compound treatment 0.0097 0.00971 0.96 0.0043 0.00429 0.32 0.9064 0.8963 2097 SPBio_000777 CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G20 compound treatment 0.0147 0.0147 1.45 0.0102 0.0102 0.77 1.57 0.9561 935 SPBio_000778 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G21 compound treatment 0.0047 0.0047 0.46 0.0042 0.0042 0.32 0.5522 0.9828 3174101 SPBio_000779 CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4.OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G22 compound treatment -0.0013 -0.00125 -0.12 0.0043 0.00429 0.32 0.1419 0.4098 2060092 SPBio_000780 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(=O)C)[C@@]4(C)C(=O)CC32)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G23 mock treatment 8.0E-4 7.53E-4 0.07 -0.0037 -0.00371 -0.28 -0.1456 -0.5024 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 G24 mock treatment -0.0032 -0.00325 -0.32 -0.0047 -0.00471 -0.36 -0.478 -0.9986 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H01 mock treatment -0.0022 -0.00225 -0.22 -0.0017 -0.00171 -0.13 -0.2479 -0.967 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H02 mock treatment 0.0017 0.00175 0.17 0.0033 0.00329 0.25 0.2977 0.9843 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H03 compound treatment -0.0273 -0.0273 -2.69 -0.0437 -0.0438 -3.3 -4.2387 -0.9948 3078275 SPBio_000781 C[C@@H](N)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H04 compound treatment -0.0072 -0.00725 -0.71 -0.0047 -0.00471 -0.36 -0.7569 -0.9481 695 SPBio_000782 CC1CCC(CC1)NC(=O)N(CCCl)N=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H05 compound treatment 0.0088 0.00875 0.86 0.0033 0.00329 0.25 0.7862 0.8749 1000069 SPBio_000783 COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c75)cc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H06 compound treatment 0.0018 0.00175 0.17 -0.0158 -0.0158 -1.19 -0.7186 -0.598 1394 SPBio_000784 BrCCC(=O)N1CCN(CC1)C(=O)CCBr 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H07 compound treatment 0.0037 0.0037 0.37 0.0062 0.0062 0.47 0.5892 0.9925 3078276 SPBio_000785 COC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H08 compound treatment -3.0E-4 -2.47E-4 -0.02 0.0033 0.00329 0.25 0.1583 0.6346 3198421 SPBio_000786 CCC(C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)C12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H09 compound treatment -0.0133 -0.0133 -1.31 -0.0227 -0.0228 -1.72 -2.1412 -0.9911 3078277 SPBio_000787 CN[C@H]1[C@@H](O)[C@H]2O[C@@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H10 compound treatment -0.0103 -0.0102 -1.01 -0.0157 -0.0157 -1.19 -1.5534 -0.9968 1211 SPBio_000788 CON 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H11 compound treatment -0.0213 -0.0213 -2.1 -0.0208 -0.0208 -1.57 -2.5904 -0.9897 1001954 SPBio_000789 C/C=C/1\[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(=C2)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H12 compound treatment 0.0027 0.00275 0.27 -0.0037 -0.00371 -0.28 -0.0062 -0.0158 2554 SPBio_000790 C[C@H]1[C@H]2CCC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23CN1C)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H13 compound treatment -0.0083 -0.00825 -0.81 -0.0128 -0.0128 -0.96 -1.256 -0.9965 3198419 SPBio_000791 COc1ccc2cc3c4cc(OC)c(OC)cc4cc[n+]3cc2c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H14 compound treatment 0.0027 0.00275 0.27 -0.0047 -0.00471 -0.36 -0.0597 -0.1335 1307 SPBio_000792 ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H15 compound treatment 0.0047 0.00475 0.47 0.0043 0.00429 0.32 0.5603 0.9836 1017172 SPBio_000793 C=CCSCC=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H16 compound treatment -0.0113 -0.0113 -1.11 -0.0067 -0.00671 -0.51 -1.1456 -0.9365 2557 SPBio_000794 COS(=O)(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H17 compound treatment -0.0053 -0.00525 -0.52 -0.0067 -0.00671 -0.51 -0.7244 -0.9999 1117560 SPBio_000795 CC(=C)C1CCC(=CC1)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H18 compound treatment 0.0048 0.00475 0.47 0.0013 0.00129 0.1 0.4003 0.8357 3198422 SPBio_000796 CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H]3OC4(O[C@@H]3[C@@H]2O)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H19 compound treatment -0.0073 -0.00726 -0.72 -0.0138 -0.0138 -1.04 -1.2403 -0.9835 1047 SPBio_000797 CN(C)CCCN1c2ccccc2Sc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H20 compound treatment 0.0018 0.00175 0.17 0.0013 0.00129 0.1 0.1911 0.9631 417 SPBio_000798 CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H21 compound treatment -0.0053 -0.00525 -0.52 -0.0027 -0.00271 -0.2 -0.5108 -0.9176 681 SPBio_000799 CC(CN1c2ccccc2Sc3ccccc13)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H22 compound treatment -0.0073 -0.00725 -0.72 0.0073 0.00725 0.55 -0.1187 -0.1318 3046992 SPBio_000800 CO[C@]12[C@@H]3NC3CN2C4=C([C@@H]1COC(=O)N)C(=O)C(=C(C)C4=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H23 mock treatment 0.0017 0.00175 0.17 0.0013 0.00129 0.1 0.1908 0.9628 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 H24 mock treatment -0.0043 -0.00425 -0.42 -0.0731 -0.0731 -5.52 -4.1988 -0.7586 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I01 mock treatment -0.0022 -0.00225 -0.22 3.0E-4 2.89E-4 0.02 -0.1412 -0.6343 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I02 mock treatment 0.0068 0.00675 0.67 -0.0027 -0.00271 -0.2 0.3264 0.4682 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I03 compound treatment -0.0023 -0.0023 -0.23 -0.0018 -0.0018 -0.14 -0.2564 -0.9701 647 SPBio_000801 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I04 compound treatment -0.0032 -0.00325 -0.32 -0.0098 -0.00975 -0.74 -0.7469 -0.9304 2060425 SPBio_000802 COC(=O)[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C[C@@H](OC(=O)C)[C@]43C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I05 compound treatment 0.0017 0.00175 0.17 0.0033 0.00329 0.25 0.2977 0.9843 3174492 SPBio_000803 CN1[C@H]2CC3CC1C(O)C2O3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I06 compound treatment -2.0E-4 -2.45E-4 -0.02 -0.0067 -0.00671 -0.51 -0.3754 -0.74 1028 SPBio_000804 Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I07 compound treatment 8.0E-4 7.53E-4 0.07 -0.0047 -0.00471 -0.36 -0.199 -0.5477 1029487 SPBio_000805 OCC(O)Cc1ccc2OCOc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I08 compound treatment 7.0E-4 7.53E-4 0.07 0.0013 0.00129 0.1 0.1213 0.9911 3198323 SPBio_000806 COc1cc(OC)c2c(=O)c(coc2c1)c3ccc4OCOc4c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I09 compound treatment 8.0E-4 7.53E-4 0.07 -7.0E-4 -7.11E-4 -0.05 0.0146 0.1589 3078463 SPBio_000807 CCOC(=O)c1c(C)cc(OC)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I10 compound treatment 0.0018 0.00175 0.17 -0.0037 -0.00371 -0.28 -0.0758 -0.2304 986 SPBio_000808 CN1CC(=O)NC1=N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I11 compound treatment -0.0123 -0.0123 -1.21 -0.0127 -0.0128 -0.96 -1.5376 -0.9935 2060194 SPBio_000809 COc1cc(O)c(C(=O)O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I12 compound treatment 0.0127 0.0127 1.25 0.0113 0.0112 0.85 1.4865 0.9821 1013 SPBio_000810 Cc1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I13 compound treatment 0.0018 0.00175 0.17 -0.0037 -0.00371 -0.28 -0.0758 -0.2304 1514 SPBio_000811 CC1OC1P(=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I14 compound treatment -0.0053 -0.00525 -0.52 -0.0027 -0.00271 -0.2 -0.5107 -0.9176 1005991 SPBio_000812 O=C1c2ccccc2-c3cccc4cccc1c34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I15 compound treatment 0.0058 0.00575 0.57 -0.0037 -0.00371 -0.28 0.2033 0.3212 1191 SPBio_000813 Oc1c(Cl)cc(Cl)c2cccnc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I16 compound treatment 8.0E-4 7.53E-4 0.07 -0.0017 -0.00171 -0.13 -0.0389 -0.2609 2777 SPBio_000814 COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I17 compound treatment 0.0057 0.00575 0.57 -7.0E-4 -7.11E-4 -0.05 0.3633 0.6374 3172720 SPBio_000815 CNC(C)[C@@H]1CC[C@@H](N)[C@@H](OC2[C@@H](N)C[C@@H](N)[C@H](OC3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I18 compound treatment 0.0037 0.0037 0.37 -0.0018 -0.0018 -0.14 0.1621 0.416 1294 SPBio_000816 CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I19 compound treatment -3.0E-4 -2.47E-4 -0.02 0.0013 0.00129 0.1 0.0516 0.5139 927 SPBio_000817 CN1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I20 compound treatment 0.0047 0.00475 0.47 -0.0027 -0.00271 -0.2 0.1867 0.365 1092 SPBio_000818 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I21 compound treatment 0.0017 0.00175 0.17 0.0023 0.00229 0.17 0.2442 1.0 1019607 SPBio_000819 CN(C)Cc1c(C)[nH]c2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I22 compound treatment -3.0E-4 -2.48E-4 -0.02 0.0023 0.00229 0.17 0.1048 0.6009 446 SPBio_000820 COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I23 mock treatment 0.0018 0.00175 0.17 3.0E-4 2.85E-4 0.02 0.1375 0.7891 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 I24 mock treatment -0.0033 -0.00325 -0.32 -7.0E-4 -7.15E-4 -0.05 -0.2649 -0.8147 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J01 mock treatment -0.0022 -0.00225 -0.22 -0.0087 -0.00871 -0.66 -0.6216 -0.8958 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J02 mock treatment -2.0E-4 -2.45E-4 -0.02 -0.0017 -0.00171 -0.13 -0.1084 -0.8253 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J03 compound treatment 8.0E-4 7.53E-4 0.07 -0.0027 -0.00271 -0.2 -0.0922 -0.4236 1175 SPBio_000821 Nc1ccc(cc1)S(=O)(=O)Nc2nccs2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J04 compound treatment -0.0032 -0.00325 -0.32 -0.0057 -0.00571 -0.43 -0.5314 -0.9893 3172714 SPBio_000822 C[n+]1ccccc1/C=N/O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J05 compound treatment 0.0048 0.00475 0.47 -0.0017 -0.00171 -0.13 0.2403 0.494 856 SPBio_000823 Cn1c(=O)n(C)c2nc[nH]c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J06 compound treatment 7.0E-4 7.52E-4 0.07 0.0013 0.00129 0.1 0.1211 0.9911 1000105 SPBio_000824 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J07 compound treatment 0.0027 0.0027 0.27 0.0022 0.00225 0.17 0.3086 0.9763 1000127 SPBio_000825 CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J08 compound treatment -0.0013 -0.00125 -0.12 -0.0028 -0.00276 -0.21 -0.2344 -0.9684 3471036 SPBio_000826 OC(=O)C1=C(C[n+]2ccccc2)CSC3C(NC(=O)Cc4cccs4)C(=O)N31 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J09 compound treatment -0.0053 -0.00525 -0.52 -0.0088 -0.00875 -0.66 -0.8331 -0.9927 1053 SPBio_000827 COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J10 compound treatment -3.0E-4 -2.48E-4 -0.02 -0.0017 -0.00171 -0.13 -0.1087 -0.8262 1338 SPBio_000828 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J11 compound treatment -0.0013 -0.00125 -0.12 -0.0047 -0.00471 -0.36 -0.3385 -0.8994 938 SPBio_000829 Cc1ccc(cc1)/C(=C\CN2CCCC2)/c3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J12 compound treatment -0.0043 -0.00425 -0.42 2.0E-4 1.99E-4 0.02 -0.2856 -0.6813 1107 SPBio_000830 OC(=O)CN1CCNC1=N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J13 compound treatment -0.0153 -0.0153 -1.5 -0.0228 -0.0228 -1.72 -2.2794 -0.9978 1146 SPBio_000831 Nc1ccc(cc1)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J14 compound treatment -0.0022 -0.00225 -0.22 -0.0047 -0.00471 -0.36 -0.4082 -0.9741 1271 SPBio_000832 CC(=O)OC(CC(=O)O)[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J15 compound treatment 8.0E-4 7.53E-4 0.07 -0.0077 -0.00775 -0.59 -0.3613 -0.6125 721 SPBio_000833 CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](OC3O[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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J16 compound treatment -0.0113 -0.0113 -1.11 -0.0117 -0.0117 -0.88 -1.4104 -0.9936 1142 SPBio_000834 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J17 compound treatment -0.0063 -0.0063 -0.62 0.0012 0.0012 0.09 -0.3752 -0.5977 2060131 SPBio_000835 CCOC(=O)c1oc2c(OC)c(O)cc(O)c2c(=O)c1c3cc(OC)c(OC)c(OC)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J18 compound treatment -0.014 -0.014 -1.38 -0.001 -0.001 -0.08 -1.0297 -0.7447 725 SPBio_000836 CC(=C)[C@@H]1CCC(=CC1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J19 compound treatment 0.0037 0.00375 0.37 -0.0027 -0.00271 -0.2 0.117 0.2766 3044782 SPBio_000837 NC(=N)N.OC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J20 compound treatment -3.0E-4 -2.5E-4 -0.02 -0.0017 -0.00171 -0.13 -0.1088 -0.8273 1372 SPBio_000838 OC(=O)c1cccnc1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J21 compound treatment 0.0048 0.00475 0.47 0.0053 0.00529 0.4 0.6139 0.9968 1429 SPBio_000839 CCCCOC(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J22 compound treatment -0.0043 -0.00425 -0.42 -0.0047 -0.00471 -0.36 -0.5477 -0.9967 937 SPBio_000840 CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J23 mock treatment -0.0032 -0.00325 -0.32 -0.0037 -0.00371 -0.28 -0.4245 -0.9978 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 J24 mock treatment -0.0113 -0.0113 -1.11 -0.0057 -0.00571 -0.43 -1.0922 -0.9148 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K01 mock treatment -0.0012 -0.00125 -0.12 -0.0067 -0.00671 -0.51 -0.4451 -0.8538 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K02 mock treatment -0.0053 -0.00525 -0.52 3.0E-4 2.89E-4 0.02 -0.3506 -0.6767 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K03 compound treatment -3.0E-4 -2.57E-4 -0.03 -0.0037 -0.00371 -0.28 -0.216 -0.768 3054976 SPBio_000841 CC(C)[C@@H]1CC[C@@H](C)CC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K04 compound treatment 0.0018 0.00175 0.17 -0.0017 -0.00171 -0.13 0.0309 0.1433 3173242 SPBio_000842 Nc1nc2cc(Cl)ccc2o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K05 compound treatment -0.0042 -0.00425 -0.42 -0.0027 -0.00271 -0.2 -0.4408 -0.9458 2060306 SPBio_000843 C[C@@H](CCOC(=O)C)CCC=C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K06 compound treatment 8.0E-4 7.53E-4 0.07 -0.0017 -0.00171 -0.13 -0.0389 -0.2609 2060291 SPBio_000844 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)CC[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K07 compound treatment 0.0077 0.0077 0.76 0.0043 0.00425 0.32 0.7641 0.9265 3235 SPBio_000845 OC(=O)c1ccccc1OC(=O)c2ccccc2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K08 compound treatment -0.0063 -0.00626 -0.62 -0.0118 -0.0118 -0.89 -1.0643 -0.9842 1156 SPBio_000846 OC(=O)c1cc(O)ccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K09 compound treatment 0.0027 0.00275 0.27 0.0082 0.0082 0.62 0.6297 0.9316 3177523 SPBio_000847 CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)ccc(O)c5C(=O)c4cc3[C@H]1C(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K10 compound treatment 8.0E-4 7.53E-4 0.07 -7.0E-4 -7.11E-4 -0.05 0.0146 0.1589 1308020 SPBio_000848 COc1ccc(cc1)c2cc(=O)c3ccccc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K11 compound treatment 0.0028 0.00275 0.27 -0.0047 -0.00471 -0.36 -0.0593 -0.1326 1056 SPBio_000849 Nc1nc2nc[nH]c2c(=S)[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K12 compound treatment -0.0463 -0.0463 -4.57 -0.0318 -0.0318 -2.4 -4.9247 -0.9548 1599 SPBio_000850 C=CCc1ccc2OCOc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K13 compound treatment -0.0123 -0.0123 -1.21 -0.0168 -0.0168 -1.27 -1.7499 -0.9997 999 SPBio_000851 CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K14 compound treatment -0.0022 -0.00225 -0.22 -0.0088 -0.00875 -0.66 -0.6239 -0.8953 3058468 SPBio_000852 COc1ccc(OC)c(c1)C(O)C(C)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K15 compound treatment -0.0022 -0.00225 -0.22 -7.0E-4 -7.11E-4 -0.05 -0.1947 -0.8536 1356 SPBio_000853 Oc1cccc2cccnc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K16 compound treatment 0.0078 0.00775 0.76 -0.0108 -0.0108 -0.81 -0.0331 -0.0297 2553 SPBio_000854 CNNC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K17 compound treatment 0.0127 0.0127 1.25 0.0132 0.0132 1.0 1.5906 0.9936 3198320 SPBio_000855 Clc1ccc(CO/N=C(\Cn2ccnc2)/c3ccc(Cl)cc3Cl)c(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K18 compound treatment -0.0073 -0.00725 -0.72 -0.0018 -0.00176 -0.13 -0.5997 -0.8244 422 SPBio_000856 Oc1cccc2C(=O)C=CC(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K19 compound treatment 8.0E-4 7.53E-4 0.07 -7.0E-4 -7.11E-4 -0.05 0.0146 0.1589 3047 SPBio_000857 C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K20 compound treatment -0.0043 -0.00425 -0.42 0.0043 0.00429 0.32 -0.0675 -0.1274 3198324 SPBio_000858 C[C@@H]1O[C@@H](OC[C@H]2OC(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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K21 compound treatment -0.0022 -0.00225 -0.22 -0.0057 -0.00571 -0.43 -0.4617 -0.9522 1003215 SPBio_000859 CC(C)C1=CC(=O)C(=CC1=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K22 compound treatment -0.0052 -0.00525 -0.52 -7.0E-4 -7.12E-4 -0.05 -0.4039 -0.7764 1330 SPBio_000860 ClCCN(CCCl)CCCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K23 mock treatment -0.0053 -0.00525 -0.52 -0.0087 -0.00871 -0.66 -0.8311 -0.993 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 K24 mock treatment -0.0093 -0.00929 -0.92 -0.0098 -0.00975 -0.74 -1.1682 -0.9941 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L01 mock treatment -0.0032 -0.00325 -0.32 -0.0027 -0.00271 -0.2 -0.3714 -0.9767 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L02 mock treatment -0.0042 -0.00425 -0.42 -0.0067 -0.00671 -0.51 -0.6544 -0.9955 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L03 compound treatment -0.0063 -0.00625 -0.62 0.0023 0.00229 0.17 -0.3136 -0.49 930 SPBio_000861 CC(CN1CCCCC1)C(=O)c2ccc(C)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L04 compound treatment 0.0047 0.00475 0.47 0.0083 0.00829 0.63 0.774 0.9899 1325 SPBio_000862 NC1(CCCC1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L05 compound treatment -0.0053 -0.00526 -0.52 -0.0058 -0.00576 -0.43 -0.6742 -0.9962 2576 SPBio_000863 S=C=NCc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L06 compound treatment -0.0013 -0.00125 -0.12 -0.0067 -0.00671 -0.51 -0.4454 -0.8543 3173241 SPBio_000864 C[C@@]12CCC3C(CC[C@H]4C[C@@H](CC[C@@]43C)OS(=O)(=O)O)C2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L07 compound treatment 7.0E-4 7.03E-4 0.07 -0.0027 -0.00271 -0.2 -0.0957 -0.4429 1099 SPBio_000865 CC(=O)NCCCCCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L08 compound treatment 0.0047 0.00471 0.46 0.0013 0.00125 0.09 0.3954 0.8336 1266 SPBio_000866 CCn1cc(C(=O)O)c(=O)c2cc3OCOc3cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L09 compound treatment -0.0073 -0.00725 -0.71 -0.0127 -0.0127 -0.96 -1.184 -0.9895 850 SPBio_000867 Clc1cccc(c1)N2CCN(CCCn3nc4ccccn4c3=O)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L10 compound treatment -0.0022 -0.00225 -0.22 0.0013 0.00129 0.1 -0.0881 -0.3641 1081 SPBio_000868 Cc1c(N)c(=O)n(c2ccccc2)n1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L11 compound treatment -0.0353 -0.0353 -3.48 -0.0338 -0.0338 -2.55 -4.263 -0.9882 1413 SPBio_000869 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L12 compound treatment -0.0052 -0.00525 -0.52 0.0043 0.00429 0.32 -0.1369 -0.2243 1000116 SPBio_000870 CC(=O)CC(c1ccccc1)c2c(O)c3ccccc3oc2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L13 compound treatment -0.0092 -0.00925 -0.91 -0.0028 -0.00276 -0.21 -0.7924 -0.8468 1433 SPBio_000871 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L14 compound treatment -0.0022 -0.00225 -0.22 -0.0118 -0.0118 -0.89 -0.7839 -0.8573 1075 SPBio_000872 CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L15 compound treatment -0.0433 -0.0433 -4.27 -0.0488 -0.0488 -3.68 -5.6218 -0.9973 801 SPBio_000873 CN(C)CC/C=C/1\c2ccccc2Sc3ccc(Cl)cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L16 compound treatment -0.0053 -0.00525 -0.52 -0.0027 -0.00271 -0.2 -0.5109 -0.9177 1201 SPBio_000874 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L17 compound treatment -3.0E-4 -2.47E-4 -0.02 0.0052 0.0052 0.39 0.2603 0.6619 1278 SPBio_000875 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L18 compound treatment -0.0022 -0.00225 -0.22 0.0153 0.0152 1.15 0.6575 0.5608 1061 SPBio_000876 Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L19 compound treatment -0.0143 -0.0143 -1.41 -0.0038 -0.0038 -0.29 -1.2001 -0.8339 3177517 SPBio_000877 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)C(O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L20 compound treatment -0.0043 -0.00425 -0.42 -7.0E-4 -7.11E-4 -0.05 -0.3342 -0.7912 1341 SPBio_000878 CC(=O)OCC(COC(=O)C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L21 compound treatment -0.0153 -0.0153 -1.51 -0.0118 -0.0118 -0.89 -1.6969 -0.9684 1162 SPBio_000879 Cc1c(NC(=O)c2cccnc2)c(=O)n(c3ccccc3)n1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L22 compound treatment -0.0072 -0.00725 -0.71 -0.0047 -0.00471 -0.36 -0.7569 -0.9481 3173364 SPBio_000880 C[C@H]1[C@@]2(C)CCC3C(CCC4C[C@H](CC[C@@]43C)O[C@H]5O[C@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@H]7OC[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]6O)[C@H](O)[C@H]5O)C2O[C@]91CC[C@H](C)CN9 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L23 mock treatment -0.0032 -0.00325 -0.32 -7.0E-4 -7.12E-4 -0.05 -0.2644 -0.8144 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 L24 mock treatment -0.0082 -0.00825 -0.81 -0.0047 -0.00471 -0.36 -0.8266 -0.9312 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M01 mock treatment 0.0157 0.0157 1.55 0.0033 0.00329 0.25 1.2715 0.81 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M02 mock treatment 0.0027 0.00275 0.27 0.0222 0.0222 1.68 1.3795 0.8108 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M03 compound treatment 0.0088 0.00875 0.86 0.0063 0.00629 0.47 0.9463 0.9603 3174245 SPBio_000881 OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M04 compound treatment 0.0017 0.0017 0.17 -8.0E-4 -8.01E-4 -0.06 0.076 0.4259 1019365 SPBio_000882 COC1=CC(=O)C=C(OC)C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M05 compound treatment 0.0048 0.00475 0.47 0.0133 0.0132 1.0 1.0389 0.9404 2060246 SPBio_000883 C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C/C=C/3\[C@H](O)COC3=O)C(=C)CCC12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M06 compound treatment -0.0143 -0.0143 -1.41 -0.0058 -0.00576 -0.43 -1.302 -0.8845 2081029 SPBio_000884 CN/C(=N\C#N)/NCCSCc1nc[nH]c1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M07 compound treatment 0.0407 0.0407 4.02 0.0073 0.00725 0.55 3.2267 0.7961 907310 SPBio_000885 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M08 compound treatment 0.0047 0.0047 0.46 0.0083 0.00825 0.62 0.7684 0.9895 2060352 SPBio_000886 O=C(O[C@H]1Cc2c(OC(=O)c3ccccc3)cc(OC(=O)c4ccccc4)cc2O[C@@H]1c5ccc(OC(=O)c6ccccc6)c(OC(=O)c7ccccc7)c5)c8ccccc8 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M09 compound treatment 0.0067 0.00671 0.66 0.0033 0.00329 0.25 0.6438 0.9104 3057880 SPBio_000887 COc1ccc(cc1)C(=C(c2ccc(OC)cc2)c3ccc(OC)cc3)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M10 compound treatment 0.0037 0.00375 0.37 -0.0027 -0.00271 -0.2 0.117 0.2767 847 SPBio_000888 CC(=CCC/C(=C/CO)/C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M11 compound treatment 0.0098 0.00975 0.96 0.0033 0.00329 0.25 0.856 0.8614 3060195 SPBio_000889 COC(C)(C)CCC[C@H](C)C/C=C/C(=C/C(=O)OC(C)C)/C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M12 compound treatment -0.0032 -0.00325 -0.32 0.0043 0.00425 0.32 3.0E-4 8.0E-4 1029 SPBio_000890 CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M13 compound treatment -0.0223 -0.0223 -2.2 -0.0168 -0.0168 -1.26 -2.4487 -0.9655 3173342 SPBio_000891 CO/N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)\c3ccco3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M14 compound treatment 0.0058 0.00575 0.57 0.0093 0.00929 0.7 0.8973 0.9945 784 SPBio_000892 Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M15 compound treatment 0.0247 0.0247 2.44 0.0112 0.0112 0.85 2.3208 0.8998 370 SPBio_000893 O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M16 compound treatment 0.0017 0.0017 0.17 0.0062 0.0062 0.47 0.4497 0.9044 1195 SPBio_000894 C[C@@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]2(O)CCC1C5=CC(=O)OC5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M17 compound treatment 0.0117 0.0117 1.15 0.0092 0.0092 0.69 1.3073 0.9704 3198321 SPBio_000895 CCCCCCCC/C=C/CCCCCCCCOP(=O)(O)OCC[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M18 compound treatment -0.0103 -0.0103 -1.02 -0.0128 -0.0128 -0.97 -1.4016 -0.9997 1256 SPBio_000896 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M19 compound treatment -3.0E-4 -2.97E-4 -0.03 -0.0038 -0.00376 -0.28 -0.2215 -0.776 1713087 SPBio_000897 COc1ccc(cc1OC)c2cc(=O)c3ccccc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M20 compound treatment 0.0047 0.0047 0.46 0.0092 0.0092 0.69 0.8191 0.9807 41 SPBio_000898 OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M21 compound treatment -0.0553 -0.0553 -5.45 -0.0658 -0.0658 -4.96 -7.3661 -0.9989 3058622 SPBio_000899 OC1=CC2=C3c4ccc(O)cc4OC[C@]3(O)CC2=CC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M22 compound treatment 0.0048 0.00475 0.47 0.0033 0.00329 0.25 0.5072 0.9558 2060048 SPBio_000900 CC(=O)c1c(O)c(C)c(O)c2c1oc3c(C(=O)C)c(O)c(C)c(O)c32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M23 mock treatment 0.0068 0.00675 0.67 3.0E-4 2.85E-4 0.02 0.4863 0.7295 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 M24 mock treatment 0.0027 0.00275 0.27 3.0E-4 2.89E-4 0.02 0.2074 0.7615 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N01 mock treatment 7.0E-4 7.52E-4 0.07 0.0033 0.00329 0.25 0.228 0.88 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N02 mock treatment 0.0098 0.00975 0.96 0.0073 0.00729 0.55 1.0693 0.9649 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N03 compound treatment 7.0E-4 7.52E-4 0.07 0.0033 0.00329 0.25 0.228 0.8799 860 SPBio_000901 CN(C)C(=O)Oc1ccc[n+](C)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N04 compound treatment -0.0763 -0.0763 -7.52 -0.0708 -0.0708 -5.34 -9.0964 -0.9859 2407 SPBio_000902 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N05 compound treatment 0.0297 0.0297 2.93 0.0432 0.0432 3.27 4.3812 0.9985 1268 SPBio_000903 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N06 compound treatment -0.0533 -0.0533 -5.26 -0.0458 -0.0458 -3.45 -6.1591 -0.9793 811 SPBio_000904 CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N07 compound treatment 0.0077 0.00771 0.76 0.0053 0.00525 0.4 0.8182 0.9538 1100 SPBio_000905 CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N08 compound treatment 0.0087 0.00871 0.86 0.0083 0.00825 0.62 1.0481 0.9875 928 SPBio_000906 CC(=O)O[Hg]c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N09 compound treatment 0.0157 0.0157 1.55 -8.0E-4 -8.01E-4 -0.06 1.0525 0.679 3173346 SPBio_000907 CC[C@H](C1OC(CC)(C[C@@H]1C)C2CC[C@](O)(CC)[C@H](C)O2)C(=O)C(C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N10 compound treatment 0.0107 0.0107 1.06 0.0013 0.00129 0.1 0.816 0.769 1374 SPBio_000908 Oc1c(Br)cc(Br)c2cccnc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N11 compound treatment -0.0063 -0.00625 -0.62 0.0033 0.00329 0.25 -0.2603 -0.3919 1274 SPBio_000909 C1CN2C[C@@H](N=C2S1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N12 compound treatment 0.0038 0.00375 0.37 3.0E-4 2.89E-4 0.02 0.2773 0.7475 816 SPBio_000910 Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N13 compound treatment 0.0087 0.00871 0.86 0.0022 0.0022 0.17 0.7251 0.8284 1232 SPBio_000911 OC1=C(O)C(=O)C(=C(O)C1=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N14 compound treatment 0.0078 0.00775 0.76 0.0063 0.00629 0.47 0.8766 0.9737 471 SPBio_000912 CCCC(CCC)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N15 compound treatment 0.0047 0.00471 0.46 3.0E-4 2.89E-4 0.02 0.3441 0.7395 1051 SPBio_000913 CC(=O)Oc1ccc(Cl)c2cccnc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N16 compound treatment -0.0103 -0.0103 -1.01 -0.0038 -0.00376 -0.28 -0.9164 -0.8718 1044 SPBio_000914 C[C@H](CCC(=O)O)[C@H]1CCC2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N17 compound treatment -0.0033 -0.0033 -0.33 0.0112 0.0112 0.85 0.3679 0.4061 975 SPBio_000915 CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N18 compound treatment -0.0013 -0.00125 -0.12 0.0083 0.00825 0.62 0.3532 0.5563 1000 SPBio_000916 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N19 compound treatment 8.0E-4 7.53E-4 0.07 0.0033 0.00329 0.25 0.2281 0.88 798 SPBio_000917 CCCCCCOc1ccccc1C(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N20 compound treatment -0.0022 -0.00225 -0.22 0.0123 0.0122 0.92 0.4972 0.5228 977 SPBio_000918 C[C@@]12C[C@H](O)[C@@]3(F)C(CCC4=CC(=O)C=C[C@@]43C)C2C[C@@H](O)[C@]1(O)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N21 compound treatment -0.0083 -0.00825 -0.81 0.0043 0.00425 0.32 -0.3486 -0.3985 1000115 SPBio_000919 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N22 compound treatment -0.0063 -0.00625 -0.62 0.0033 0.00329 0.25 -0.2602 -0.3917 971 SPBio_000920 CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N23 mock treatment 0.0038 0.00375 0.37 0.0063 0.00629 0.47 0.5976 0.9925 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 N24 mock treatment 0.0037 0.00375 0.37 0.0053 0.00529 0.4 0.5441 0.9993 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O01 mock treatment -0.0032 -0.00325 -0.32 -0.0027 -0.00271 -0.2 -0.3713 -0.9766 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O02 mock treatment -3.0E-4 -2.47E-4 -0.02 0.0033 0.00329 0.25 0.1583 0.6346 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O03 compound treatment 0.0157 0.0157 1.55 -0.0531 -0.0531 -4.01 -1.7388 -0.4045 1053058 SPBio_000921 COc1cc(OC)c2c(=O)c(O)c(oc2c1)c3ccc(OC)c(OC)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O04 compound treatment 0.0028 0.00275 0.27 0.0013 0.00129 0.1 0.2607 0.9037 1003514 SPBio_000922 COc1cc(cc(OC)c1OC)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O05 compound treatment 0.0057 0.0057 0.56 0.0123 0.0122 0.92 1.0517 0.9716 3055171 SPBio_000923 COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(C)c(O)c(O)cc5[C@]4(C)CC[C@@]3(C)C2C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O06 compound treatment -0.0042 -0.00425 -0.42 -0.0077 -0.00771 -0.58 -0.7077 -0.9869 2060483 SPBio_000924 CC(=O)N[C@@H](CC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O07 compound treatment -0.0093 -0.00926 -0.91 -0.0057 -0.00571 -0.43 -0.9506 -0.9413 2069289 SPBio_000925 CC(=O)Oc1cc2c(CC3OC34[C@@]2(C)CC[C@@]5(C)C6C[C@@](C)(CC[C@]6(C)CC[C@]45C)C(=O)O)c(C)c1OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O08 compound treatment -0.0143 -0.0143 -1.41 -0.0088 -0.0088 -0.66 -1.4643 -0.9414 3078273 SPBio_000926 COc1cc(C)c(C(=O)Oc2cc(C)c(O)c(C(=O)O)c2C)c(O)c1C=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O09 compound treatment -0.0133 -0.0133 -1.31 -0.0108 -0.0108 -0.82 -1.5041 -0.9738 3198322 SPBio_000927 CC1CNC(=O)CCC2(C)C(CC(=O)N)C3N4C2=C(C)C5=N6C(=CC7=N8C(=C(C)C9=N(C3(C)C(C)(CC(=O)N)C9CCC(=O)N)[Co+]486(C[C@H]%10OC([C@H](O)[C@@H]%10O)n%11cnc%12c(N)ncnc%11%12)N%13=CN(C%14O[C@H](CO)[C@@H](OP(=O)(O)O1)[C@H]%14O)c%15cc(C)c(C)cc%13%15)C(C)(CC(=O)N)C7CCC(=O)N)C(C)(C)C5CCC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O10 compound treatment -0.0103 -0.0102 -1.01 -0.0077 -0.00771 -0.58 -1.1264 -0.9657 112 SPBio_000928 OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O11 compound treatment -0.0022 -0.00225 -0.22 3.0E-4 2.89E-4 0.02 -0.1413 -0.6344 1538 SPBio_000929 Oc1ccc(c(O)c1)c2oc3cc(O)cc(O)c3c(=O)c2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O12 compound treatment -0.0023 -0.00225 -0.22 -0.0047 -0.00471 -0.36 -0.4084 -0.9743 3198325 SPBio_000930 COc1ccc(cc1)c2cc(=O)c3c(OC)cc(O)cc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O13 compound treatment -3.0E-4 -2.5E-4 -0.02 -0.0047 -0.00471 -0.36 -0.2691 -0.7544 1343 SPBio_000931 COC1=CC(C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(=C(OC)C(=O)C([C@@]34C)[C@@]2(C)C1=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O14 compound treatment -3.0E-4 -2.97E-4 -0.03 -0.0027 -0.00271 -0.2 -0.1654 -0.8003 2080198 SPBio_000932 CC(=O)C1=C(O)C2C3C(Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O15 compound treatment 7.0E-4 7.52E-4 0.07 -0.0017 -0.00171 -0.13 -0.0391 -0.2619 2069234 SPBio_000933 CN1CCc2cc3OCOc3cc2[C@H]1C4OC(=O)c5c6OCOc6ccc45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O16 compound treatment 0.0037 0.00375 0.37 0.0043 0.00425 0.32 0.4886 0.9975 1353 SPBio_000934 COC(=O)/C(=C/1\OC(=O)C(C1=O)c2ccccc2)/c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O17 compound treatment 7.0E-4 7.03E-4 0.07 2.0E-4 1.99E-4 0.02 0.0596 0.841 3078269 SPBio_000935 OCC(O)CC(O)CCCCCCCCCCCC=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O18 compound treatment -0.0073 -0.00725 -0.71 -0.0037 -0.00371 -0.28 -0.7036 -0.9164 2060168 SPBio_000936 C/C(=C/CC1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)/C=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O19 compound treatment -0.0693 -0.0693 -6.83 -0.0788 -0.0788 -5.95 -9.0367 -0.9976 1000122 SPBio_000937 O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O20 compound treatment -0.0063 -0.0063 -0.62 0.0012 0.0012 0.09 -0.3752 -0.5977 1576 SPBio_000938 CC(=CCc1c(O)c2c(=O)c(coc2c3C=CC(C)(C)Oc13)c4ccc(O)c(O)c4)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O21 compound treatment -0.0083 -0.00825 -0.81 -0.0037 -0.00371 -0.28 -0.7733 -0.8988 1601 SPBio_000939 COc1c(OC)c2ccc(=O)oc2c3ccoc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O22 compound treatment -0.0143 -0.0143 -1.41 -0.0108 -0.0108 -0.82 -1.5738 -0.9661 994 SPBio_000940 N[C@@H](CCONC(=N)N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O23 mock treatment -0.0012 -0.00125 -0.12 -0.0027 -0.00271 -0.2 -0.2316 -0.9702 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 O24 mock treatment 0.0018 0.00175 0.17 0.0033 0.00329 0.25 0.298 0.9844 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P01 mock treatment 7.0E-4 7.52E-4 0.07 0.0063 0.00629 0.47 0.3881 0.8077 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P02 mock treatment 0.0018 0.00175 0.17 0.0023 0.00229 0.17 0.2445 1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P03 compound treatment -0.0153 -0.0153 -1.51 -0.0107 -0.0107 -0.81 -1.6381 -0.9573 1000112 SPBio_000941 CC(=O)O[C@H]1[C@@H](O)C2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P04 compound treatment -0.0093 -0.00926 -0.91 -0.0208 -0.0208 -1.57 -1.7534 -0.967 1000129 SPBio_000942 CC1(C)[C@H](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)OC(=O)CCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P05 compound treatment -0.0093 -0.00926 -0.91 2.0E-4 1.99E-4 0.02 -0.6351 -0.6954 1000045 SPBio_000943 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P06 compound treatment -0.0153 -0.0153 -1.51 -0.0177 -0.0178 -1.34 -2.0139 -0.9983 1004 SPBio_000944 Oc1ccc2c(=O)cc(oc2c1O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P07 compound treatment 0.0057 0.00575 0.57 0.0053 0.00529 0.4 0.6836 0.9852 1450 SPBio_000945 NCCc1c[nH]c2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P08 compound treatment -0.0062 -0.00625 -0.62 -0.0027 -0.00271 -0.2 -0.5803 -0.894 922 SPBio_000946 CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P09 compound treatment 8.0E-4 7.53E-4 0.07 -0.0017 -0.00171 -0.13 -0.0388 -0.2607 1586 SPBio_000947 NCCCCNCCCN 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P10 compound treatment -0.0013 -0.0013 -0.13 -0.0018 -0.0018 -0.14 -0.1866 -0.9995 1106 SPBio_000948 CCC(=O)c1c(O)cc(O)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P11 compound treatment 0.0028 0.00275 0.27 -0.0067 -0.00671 -0.51 -0.1661 -0.2889 831758 SPBio_000949 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P12 compound treatment 0.0018 0.00175 0.17 3.0E-4 2.89E-4 0.02 0.1378 0.7901 1533 SPBio_000950 Cc1cc(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P13 compound treatment 0.0057 0.00571 0.56 0.0063 0.00625 0.47 0.7321 0.9961 1898 SPBio_000951 OC(=O)CC[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P14 compound treatment -0.0103 -0.0103 -1.01 -0.0158 -0.0158 -1.19 -1.557 -0.9968 1209 SPBio_000952 CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P15 compound treatment 0.0037 0.0037 0.37 -0.0028 -0.00276 -0.21 0.1109 0.2637 1089854 SPBio_000953 Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P16 compound treatment 0.0117 0.0117 1.16 -0.0017 -0.00171 -0.13 0.7256 0.6241 1152 SPBio_000954 CN(C)CCN(Cc1ccccc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P17 compound treatment -0.0073 -0.00725 -0.71 -0.0087 -0.00871 -0.66 -0.9705 -0.9991 1001531 SPBio_000955 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P18 compound treatment -0.0022 -0.00225 -0.22 0.0043 0.00425 0.32 0.0701 0.1797 3044756 SPBio_000956 CC(CN(C)C)CN1c2ccccc2Sc3ccccc13.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P19 compound treatment -3.0E-4 -2.47E-4 -0.02 -7.0E-4 -7.11E-4 -0.05 -0.0552 -0.9364 831 SPBio_000957 Nc1nccs1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P20 compound treatment 0.0037 0.0037 0.37 -0.0018 -0.0018 -0.14 0.1621 0.416 1000123 SPBio_000958 CC(=O)OCC(=O)[C@@]1(O)[C@@H](CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P21 compound treatment -0.0032 -0.00325 -0.32 -0.0017 -0.00171 -0.13 -0.3177 -0.9203 1249 SPBio_000959 C[N+](C)(C)CC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P22 compound treatment 0.0017 0.00175 0.17 0.0093 0.00929 0.7 0.6179 0.8556 1200 SPBio_000960 NC1C[C@H]1c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P23 mock treatment 0.0037 0.00375 0.37 -7.0E-4 -7.11E-4 -0.05 0.2238 0.5984 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2160 P24 mock treatment 0.0018 0.00175 0.17 0.0023 0.00229 0.17 0.2443 1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A01 mock treatment -0.0025 -0.00253 -0.25 0.0042 0.00423 0.32 0.0499 0.123 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A02 mock treatment -0.0045 -0.00451 -0.45 -0.0048 -0.00477 -0.36 -0.5693 -0.9944 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A03 compound treatment -5.0E-4 -5.23E-4 -0.05 -0.0028 -0.00277 -0.21 -0.1842 -0.8561 1002 SPBio_000961 CN(C)CCOC(c1ccccc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A04 compound treatment -0.0015 -0.00152 -0.15 2.0E-4 2.36E-4 0.02 -0.0936 -0.6188 778 SPBio_000962 Oc1c(I)cc(I)c2cccnc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A05 compound treatment -0.0765 -0.0765 -7.55 -0.0728 -0.0728 -5.49 -9.2213 -0.9878 979 SPBio_000963 S=C1CC=CC=N1O[Zn]On2ccccc2=S 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A06 compound treatment -0.0085 -0.00851 -0.84 -0.0078 -0.00777 -0.59 -1.0084 -0.9846 1244 SPBio_000964 C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A07 compound treatment -0.0105 -0.0105 -1.04 -0.0078 -0.00777 -0.59 -1.1479 -0.9636 1216 SPBio_000965 C[C@@]12CCC3C(CCc4cc(O)ccc34)C2C[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A08 compound treatment -0.0055 -0.00553 -0.55 -0.0038 -0.00377 -0.28 -0.5865 -0.9539 890 SPBio_000966 COc1ccc2cc(ccc2c1)[C@H](C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A09 compound treatment -0.0075 -0.00751 -0.74 -0.0068 -0.00677 -0.51 -0.8853 -0.9835 3177385 SPBio_000967 CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A10 compound treatment -0.0035 -0.00352 -0.35 -0.0028 -0.00277 -0.21 -0.3934 -0.9703 1406 SPBio_000968 NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A11 compound treatment 5.0E-4 4.77E-4 0.05 0.0022 0.00224 0.17 0.1526 0.8709 858 SPBio_000969 OCC(O)CN1CCN(CC1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A12 compound treatment -0.0025 -0.00253 -0.25 -8.0E-4 -7.62E-4 -0.06 -0.2169 -0.8481 1123 SPBio_000970 Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A13 compound treatment -0.0095 -0.00951 -0.94 -0.0058 -0.00577 -0.44 -0.9714 -0.939 827 SPBio_000971 CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A14 compound treatment -0.0075 -0.00752 -0.74 0.0072 0.00723 0.55 -0.1386 -0.1504 3173466 SPBio_000972 [O-][N+](=O)c1ccc(/C=N/N2CC(=O)NC2=O)o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A15 compound treatment -0.0065 -0.00652 -0.64 -0.0018 -0.00177 -0.13 -0.5493 -0.8359 770 SPBio_000973 CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A16 compound treatment -0.0065 -0.00652 -0.64 -0.0048 -0.00477 -0.36 -0.7095 -0.9623 1077 SPBio_000974 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A17 compound treatment -0.0055 -0.00553 -0.55 -0.0038 -0.00377 -0.28 -0.5865 -0.9539 950 SPBio_000975 Oc1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A18 compound treatment -0.0055 -0.00553 -0.55 -0.0068 -0.00677 -0.51 -0.7466 -0.9995 814 SPBio_000976 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A19 compound treatment 0.0025 0.00247 0.24 0.0042 0.00423 0.32 0.3986 0.9911 776 SPBio_000977 NNc1nncc2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A20 compound treatment 0.0015 0.00148 0.15 0.0022 0.00223 0.17 0.2222 0.9973 3173600 SPBio_000978 Oc1ccc2C[C@H]3N(CC=C)CC[C@]4(C5Oc1c24)[C@@]3(O)CCC5=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A21 compound treatment -0.0025 -0.00252 -0.25 2.0E-4 2.33E-4 0.02 -0.1635 -0.6554 2797 SPBio_000979 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A22 compound treatment -0.0065 -0.00651 -0.64 -8.0E-4 -7.67E-4 -0.06 -0.4952 -0.7677 404 SPBio_000980 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A23 mock treatment 0.0025 0.00248 0.24 0.0012 0.00124 0.09 0.2388 0.9129 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 A24 mock treatment 0.0055 0.00548 0.54 -0.0028 -0.00277 -0.21 0.2343 0.4045 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B01 mock treatment -0.0095 -0.00952 -0.94 -0.0098 -0.00977 -0.74 -1.1851 -0.9929 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B02 mock treatment 5.0E-4 4.77E-4 0.05 -0.0028 -0.00277 -0.21 -0.1144 -0.5345 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B03 compound treatment -5.0E-4 -5.23E-4 -0.05 0.0052 0.00523 0.4 0.2429 0.6095 1008060 SPBio_000981 C1CCc2nnnn2CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B04 compound treatment -0.0015 -0.00152 -0.15 0.0012 0.00124 0.09 -0.0402 -0.2275 1086 SPBio_000982 CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(c1)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B05 compound treatment -0.0135 -0.0135 -1.33 -0.0108 -0.0108 -0.81 -1.5173 -0.9719 1221 SPBio_000983 CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B06 compound treatment -0.0125 -0.0125 -1.23 -0.0108 -0.0108 -0.81 -1.4476 -0.9795 1184 SPBio_000984 Nc1ncnc2n(cnc12)C3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B07 compound treatment -0.0055 -0.00552 -0.54 -0.0078 -0.00777 -0.59 -0.7999 -0.9993 1058 SPBio_000985 C[C@@]12CCC3C(CCC4=Cc5oncc5C[C@]34C)C2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B08 compound treatment -0.0105 -0.0105 -1.04 -0.0088 -0.00877 -0.66 -1.202 -0.9764 1434 SPBio_000986 CN1CCN2C(C1)c3ccccc3Cc4ccccc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B09 compound treatment -0.0075 -0.00751 -0.74 -0.0028 -0.00277 -0.21 -0.6717 -0.8724 1302 SPBio_000987 CC(C)CC1N2C(=O)[C@](NC(=O)C3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2(O)[C@@H]7CCCN7C1=O)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B10 compound treatment -0.0045 -0.00452 -0.45 -8.0E-4 -7.67E-4 -0.06 -0.3564 -0.7922 965 SPBio_000988 C(C1=NCCN1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B11 compound treatment -0.0045 -0.00452 -0.45 -0.0038 -0.00377 -0.28 -0.5166 -0.9763 2060103 SPBio_000989 COc1ccc2C(=O)[C@@H]3[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1CC=C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B12 compound treatment -0.0155 -0.0155 -1.53 -0.0058 -0.00577 -0.44 -1.3899 -0.8736 865 SPBio_000990 Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B13 compound treatment -0.0055 -0.00552 -0.54 -0.0058 -0.00576 -0.44 -0.6929 -0.9938 3045298 SPBio_000991 C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B14 compound treatment -0.0095 -0.00952 -0.94 -0.0078 -0.00777 -0.59 -1.0788 -0.9742 1487 SPBio_000992 CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B15 compound treatment -0.0085 -0.00851 -0.84 -0.0098 -0.00977 -0.74 -1.1152 -0.9979 1412 SPBio_000993 CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B16 compound treatment -0.0195 -0.0195 -1.93 -0.0188 -0.0188 -1.42 -2.363 -0.9886 1322 SPBio_000994 COc1cc2ccc(=O)oc2cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B17 compound treatment -5.0E-4 -5.23E-4 -0.05 0.0052 0.00523 0.4 0.2429 0.6095 3198425 SPBio_000995 CC1(C)O[C@@H]2CO[C@@]3(COS(=O)(=O)N)OC(C)(C)O[C@H]3[C@@H]2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B18 compound treatment -0.0135 -0.0135 -1.33 -0.0088 -0.00877 -0.66 -1.4105 -0.9478 1227 SPBio_000996 NCCCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B19 compound treatment -0.0015 -0.00152 -0.15 -0.0028 -0.0028 -0.21 -0.2555 -0.9861 775 SPBio_000997 NCC(O)CC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B20 compound treatment -0.0075 -0.00752 -0.74 -0.0078 -0.00777 -0.59 -0.9394 -0.9932 142 SPBio_000998 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B21 compound treatment -0.0065 -0.00652 -0.64 -0.0078 -0.00777 -0.59 -0.8695 -0.9989 2069268 SPBio_000999 CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B22 compound treatment -0.0065 -0.00652 -0.64 -0.0078 -0.00777 -0.59 -0.8696 -0.9989 198 SPBio_001000 CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B23 mock treatment -0.0045 -0.00452 -0.45 -0.0068 -0.00677 -0.51 -0.6767 -0.9977 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 B24 mock treatment -0.0045 -0.00452 -0.45 -0.0048 -0.00477 -0.36 -0.57 -0.9943 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C01 mock treatment 0.0015 0.00148 0.15 0.0012 0.00123 0.09 0.1688 0.9766 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C02 mock treatment 0.0045 0.00448 0.44 0.0062 0.00623 0.47 0.645 0.9995 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C03 compound treatment 0.0075 0.00748 0.74 0.0032 0.00323 0.24 0.6941 0.8935 1370 SPBio_001001 C/C=C(/C(=C/C)/c1ccc(O)cc1)\c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C04 compound treatment 0.0055 0.00548 0.54 0.0042 0.00423 0.32 0.608 0.9686 888 SPBio_001002 CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C05 compound treatment 5.0E-4 4.77E-4 0.05 0.0032 0.00323 0.24 0.2059 0.8281 1301 SPBio_001003 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C06 compound treatment -5.0E-4 -5.27E-4 -0.05 -8.0E-4 -7.63E-4 -0.06 -0.0775 -0.9987 1362 SPBio_001004 COc1c2occc2cc3ccc(=O)oc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C07 compound treatment -0.0954 -0.0954 -9.41 -0.0918 -0.0918 -6.93 -11.5538 -0.9886 1468 SPBio_001005 CCCCC(=O)O[C@H]1CCC2C3CCc4cc(O)ccc4C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C08 compound treatment 0.0015 0.00148 0.15 0.0032 0.00323 0.24 0.2756 0.9695 82 SPBio_001006 Nc1cc(nc(N)[n+]1[O-])N2CCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C09 compound treatment 0.0085 0.00848 0.84 0.0062 0.00623 0.47 0.924 0.963 3177451 SPBio_001007 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C10 compound treatment -0.0025 -0.00252 -0.25 0.0012 0.00124 0.09 -0.11 -0.4138 1083 SPBio_001008 C(C1=NCCN1)c2cccc3ccccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C11 compound treatment -0.0015 -0.00152 -0.15 -8.0E-4 -7.67E-4 -0.06 -0.1472 -0.914 793 SPBio_001009 CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C12 compound treatment 0.0055 0.00548 0.54 0.0052 0.00523 0.4 0.6614 0.9882 953 SPBio_001010 C[C@H](N)[C@H](O)c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C13 compound treatment 5.0E-4 4.73E-4 0.05 0.0012 0.00124 0.09 0.099 0.9486 826 SPBio_001011 CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C14 compound treatment -0.0025 -0.00253 -0.25 -0.0038 -0.00377 -0.28 -0.3772 -0.9978 1000108 SPBio_001012 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C15 compound treatment -0.0175 -0.0175 -1.73 -0.0188 -0.0188 -1.42 -2.2235 -0.9951 905 SPBio_001013 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C16 compound treatment -0.0035 -0.00351 -0.35 -0.0038 -0.00377 -0.28 -0.4461 -0.9952 3173081 SPBio_001014 COCCc1ccc(OCC(O)CNC(C)C)cc1.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C17 compound treatment -0.0025 -0.00253 -0.25 -0.0078 -0.00777 -0.59 -0.5908 -0.9274 959 SPBio_001015 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C18 compound treatment -0.0075 -0.00751 -0.74 -0.0528 -0.0528 -3.99 -3.3425 -0.8245 110 SPBio_001016 COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C19 compound treatment 0.0015 0.00147 0.15 2.0E-4 2.33E-4 0.02 0.1152 0.7871 700 SPBio_001017 CN1C2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C20 compound treatment -0.0115 -0.0115 -1.13 -0.0118 -0.0118 -0.89 -1.4321 -0.9928 3177386 SPBio_001018 NC[C@H]1O[C@H](OC2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C21 compound treatment 0.0015 0.00148 0.15 0.0032 0.00323 0.24 0.2755 0.9695 1127 SPBio_001019 CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C22 compound treatment 0.0045 0.00448 0.44 0.0072 0.00723 0.55 0.6984 0.9944 1508 SPBio_001020 CSCCC(NC=O)C(=O)NC(C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C23 mock treatment 0.0045 0.00448 0.44 0.0062 0.00623 0.47 0.6449 0.9995 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 C24 mock treatment 0.0456 0.0456 4.5 -0.0018 -0.00177 -0.13 3.086 0.6858 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D01 mock treatment -5.0E-4 -5.23E-4 -0.05 -8.0E-4 -7.67E-4 -0.06 -0.0774 -0.9984 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D02 mock treatment 0.0055 0.00548 0.54 0.0032 0.00323 0.24 0.5546 0.9355 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D03 compound treatment 0.0045 0.00448 0.44 0.0032 0.00323 0.24 0.4849 0.9609 820 SPBio_001021 Oc1ccc(Cl)c2cccnc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D04 compound treatment 5.0E-4 4.77E-4 0.05 -0.0018 -0.00177 -0.13 -0.0611 -0.4318 861 SPBio_001022 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D05 compound treatment -0.0015 -0.00151 -0.15 -0.0068 -0.0068 -0.51 -0.4684 -0.8765 1451 SPBio_001023 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D06 compound treatment 0.0045 0.00448 0.44 0.0022 0.00224 0.17 0.4316 0.913 3055445 SPBio_001024 CC(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D07 compound treatment -0.0025 -0.00252 -0.25 2.0E-4 2.36E-4 0.02 -0.1634 -0.6547 1186 SPBio_001025 Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D08 compound treatment 5.0E-4 4.77E-4 0.05 -8.0E-4 -7.67E-4 -0.06 -0.0077 -0.1029 3172849 SPBio_001026 CN1CCC[C@H]1c2cccnc2.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D09 compound treatment -0.0065 -0.00652 -0.64 -0.0058 -0.00576 -0.44 -0.7627 -0.9819 2060478 SPBio_001027 CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C2C)O3)C(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D10 compound treatment -5.0E-4 -5.26E-4 -0.05 -8.0E-4 -7.67E-4 -0.06 -0.0776 -0.9985 1087 SPBio_001028 Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D11 compound treatment -0.0015 -0.00152 -0.15 -0.0028 -0.00277 -0.21 -0.2539 -0.9869 4480 SPBio_001029 CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D12 compound treatment -0.0155 -0.0155 -1.53 -0.0158 -0.0158 -1.19 -1.9237 -0.9923 1190 SPBio_001030 Nc1c2C(O)CCCc2nc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D13 compound treatment -0.2924 -0.292 -28.84 -0.283 -0.283 -21.36 -35.5013 -0.9891 682 SPBio_001031 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D14 compound treatment -0.0075 -0.00751 -0.74 0.0022 0.00223 0.17 -0.4048 -0.5326 1448 SPBio_001032 OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D15 compound treatment -0.0025 -0.00252 -0.25 2.0E-4 2.33E-4 0.02 -0.1635 -0.6554 1446 SPBio_001033 OC(COc1cccc2oc(cc(=O)c12)C(=O)O)COc3cccc4oc(cc(=O)c34)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D16 compound treatment 0.0015 0.00148 0.15 0.0022 0.00223 0.17 0.2222 0.9973 705 SPBio_001034 CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D17 compound treatment -0.0295 -0.0295 -2.91 0.0022 0.00223 0.17 -1.9393 -0.665 2069333 SPBio_001035 CC[C@H](/C=C/C(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D18 compound treatment -5.0E-4 -5.23E-4 -0.05 -0.0028 -0.00277 -0.21 -0.1842 -0.8561 1577 SPBio_001036 OCC(S)CS 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D19 compound treatment -5.0E-4 -5.23E-4 -0.05 0.0012 0.00123 0.09 0.0293 0.2756 1088 SPBio_001037 CCN(CC)CCOc1ccc(cc1)/C(=C(\Cl)/c2ccccc2)/c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D20 compound treatment 0.0055 0.00548 0.54 0.0042 0.00423 0.32 0.608 0.9686 3177322 SPBio_001038 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D21 compound treatment 0.0025 0.00248 0.24 0.0012 0.00124 0.09 0.2387 0.913 689 SPBio_001039 Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D22 compound treatment -0.0035 -0.00352 -0.35 -0.0018 -0.00177 -0.13 -0.3401 -0.9135 3174103 SPBio_001040 C/C/1=C\CC[C@@]2(C)OC2[C@H]3OC(=O)C(=C)[C@@H]3CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D23 mock treatment 0.0055 0.00548 0.54 0.0072 0.00723 0.55 0.7681 1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 D24 mock treatment 0.0015 0.00148 0.15 -8.0E-4 -7.67E-4 -0.06 0.0621 0.396 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E01 mock treatment 0.0075 0.00747 0.74 0.0022 0.00223 0.17 0.6406 0.847 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E02 mock treatment 0.0025 0.00248 0.24 0.0022 0.00223 0.17 0.292 0.9837 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E03 compound treatment 0.0015 0.00148 0.15 2.0E-4 2.33E-4 0.02 0.1155 0.7869 1265 SPBio_001041 Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(Cl)cccc4Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E04 compound treatment -0.0055 -0.0055 -0.54 -0.0058 -0.0058 -0.44 -0.6933 -0.9943 1479 SPBio_001042 CC(C)NCC(O)c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E05 compound treatment -0.0055 -0.00552 -0.54 -0.0068 -0.00677 -0.51 -0.7465 -0.9995 1441 SPBio_001043 CN1CCC(CC1)OC(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E06 compound treatment -0.0015 -0.00153 -0.15 -0.0018 -0.00177 -0.13 -0.2007 -0.9982 1009 SPBio_001044 C[N+]1(C)C2CC(CC1C3OC32)OC(=O)[C@@H](CO)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E07 compound treatment 5.0E-4 4.77E-4 0.05 0.0012 0.00123 0.09 0.0991 0.9499 1363 SPBio_001045 CCOC(=O)CCC(=O)O[C@@H]1[C@H](C[C@@H](C)O[C@H]1O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E08 compound treatment -0.0015 -0.00152 -0.15 -8.0E-4 -7.67E-4 -0.06 -0.1472 -0.914 1000107 SPBio_001046 CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21C)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E09 compound treatment -0.0045 -0.00452 -0.45 -0.0038 -0.00377 -0.28 -0.5166 -0.9763 727 SPBio_001047 CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E10 compound treatment -0.0025 -0.00252 -0.25 -0.0028 -0.00277 -0.21 -0.3237 -0.9962 879 SPBio_001048 NC[C@H](O)c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E11 compound treatment 0.0115 0.0115 1.13 0.0012 0.00123 0.09 0.8664 0.7627 1222 SPBio_001049 Cn1cnc2n(C)c(=O)[nH]c(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E12 compound treatment -0.0065 -0.00653 -0.64 0.0032 0.00323 0.24 -0.2825 -0.4103 3173462 SPBio_001050 C[C@H](COc1ccccc1)N[C@@H](C)[C@H](O)c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E13 compound treatment -0.0155 -0.0155 -1.53 -0.0098 -0.00977 -0.74 -1.6034 -0.9439 706 SPBio_001051 Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E14 compound treatment -0.0025 -0.00252 -0.25 0.0022 0.00223 0.17 -0.0568 -0.1888 1169 SPBio_001052 C[C@@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E15 compound treatment -0.0075 -0.00751 -0.74 -0.0048 -0.00477 -0.36 -0.7785 -0.9449 3177388 SPBio_001053 COc1ccc2[C@@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E16 compound treatment -0.0075 -0.00752 -0.74 -0.0028 -0.00277 -0.21 -0.6724 -0.8722 1000139 SPBio_001054 CO[C@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E17 compound treatment 0.0035 0.00348 0.34 -8.0E-4 -7.67E-4 -0.06 0.2016 0.5796 876 SPBio_001055 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E18 compound treatment -0.0075 -0.00753 -0.74 -0.0048 -0.00477 -0.36 -0.7794 -0.9447 800 SPBio_001056 C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E19 compound treatment -0.0015 -0.00152 -0.15 -8.0E-4 -7.67E-4 -0.06 -0.1472 -0.9139 756 SPBio_001057 CCCCCCc1ccc(O)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E20 compound treatment -5.0E-4 -5.27E-4 -0.05 -8.0E-4 -7.67E-4 -0.06 -0.0777 -0.9986 1064 SPBio_001058 [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E21 compound treatment -5.0E-4 -5.23E-4 -0.05 -8.0E-4 -7.67E-4 -0.06 -0.0774 -0.9984 1174 SPBio_001059 CN(C)CCCN1c2ccccc2CCc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E22 compound treatment 5.0E-4 4.73E-4 0.05 0.0022 0.00223 0.17 0.1523 0.8699 2935 SPBio_001060 CC(=O)NCc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E23 mock treatment -5.0E-4 -5.26E-4 -0.05 -8.0E-4 -7.67E-4 -0.06 -0.0776 -0.9985 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 E24 mock treatment -0.0045 -0.00452 -0.45 -0.0058 -0.00577 -0.44 -0.6233 -0.9999 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F01 mock treatment -0.0015 -0.00152 -0.15 -0.0028 -0.00277 -0.21 -0.2539 -0.987 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F02 mock treatment 0.0015 0.00148 0.15 0.0022 0.00223 0.17 0.2222 0.9973 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F03 compound treatment -0.0015 -0.00152 -0.15 -0.0018 -0.00177 -0.13 -0.2006 -0.9982 1114 SPBio_001061 NS(=O)(=O)c1cc2c(N=C(CSCc3ccccc3)NS2(=O)=O)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F04 compound treatment -5.0E-4 -5.23E-4 -0.05 0.0012 0.00124 0.09 0.0295 0.2766 957 SPBio_001062 NC(COC(=O)C=[N+]=[N-])C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F05 compound treatment -0.0055 -0.00552 -0.54 -0.0028 -0.00277 -0.21 -0.5329 -0.9134 1001638 SPBio_001063 CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F06 compound treatment -0.0055 -0.00553 -0.55 -0.0018 -0.00176 -0.13 -0.4796 -0.8547 3054072 SPBio_001064 OC(=O)CCCCCCCCCCCCC1CCC=C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F07 compound treatment 0.0015 0.00147 0.15 2.0E-4 2.38E-4 0.02 0.1154 0.7884 1337 SPBio_001065 Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F08 compound treatment -0.0075 -0.00752 -0.74 -0.0078 -0.00777 -0.59 -0.9394 -0.9932 1020088 SPBio_001066 NNCc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F09 compound treatment -0.0045 -0.00452 -0.45 -0.0038 -0.00377 -0.28 -0.5166 -0.9763 3173625 SPBio_001067 Nc1nc2n(cnc2c(=O)[nH]1)C3C[C@H](O)[C@@H](CO)O3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F10 compound treatment 0.0025 0.00247 0.24 0.0042 0.00423 0.32 0.3986 0.9911 2508 SPBio_001068 OC(=O)COc1cc(Cl)c(Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F11 compound treatment -0.0675 -0.0675 -6.66 -0.0578 -0.0578 -4.36 -7.7937 -0.979 1031842 SPBio_001069 CC(=O)Oc1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F12 compound treatment -5.0E-4 -5.03E-4 -0.05 0.0022 0.0022 0.17 0.0825 0.4753 2477 SPBio_001070 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F13 compound treatment -0.0055 -0.00552 -0.54 -0.0058 -0.00577 -0.44 -0.6931 -0.9938 894 SPBio_001071 ClCCN(CCCl)P1(=O)NCCCO1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F14 compound treatment -0.0085 -0.0085 -0.84 -0.0088 -0.0088 -0.66 -1.0627 -0.9933 2476 SPBio_001072 CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F15 compound treatment -0.0185 -0.0185 -1.83 -0.0168 -0.0168 -1.27 -2.188 -0.9841 1125 SPBio_001073 CCOC(=O)NNc1nncc2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F16 compound treatment -0.0145 -0.0145 -1.43 -0.0118 -0.0118 -0.89 -1.6404 -0.9737 2484 SPBio_001074 COP(=O)(OC)OC=C(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F17 compound treatment -0.0105 -0.0105 -1.04 -0.0098 -0.00977 -0.74 -1.2554 -0.986 964 SPBio_001075 CN(C)N=Nc1[nH]cnc1C(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F18 compound treatment -0.0015 -0.00152 -0.15 2.0E-4 2.33E-4 0.02 -0.0938 -0.6199 2487 SPBio_001076 CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F19 compound treatment 0.0165 0.0165 1.63 0.0192 0.0192 1.45 2.1758 0.9983 1480 SPBio_001077 Clc1ccc2oc(=O)[nH]c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F20 compound treatment -0.0035 -0.00352 -0.35 -0.0028 -0.00276 -0.21 -0.3933 -0.9702 2496 SPBio_001078 CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F21 compound treatment -0.0735 -0.0735 -7.25 -0.0688 -0.0688 -5.19 -8.7985 -0.9866 2060468 SPBio_001079 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F22 compound treatment -0.0065 -0.00652 -0.64 -0.0058 -0.00577 -0.44 -0.7628 -0.9819 2523 SPBio_001080 CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F23 mock treatment -0.0035 -0.00353 -0.35 -0.0018 -0.00177 -0.13 -0.3402 -0.9133 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 F24 mock treatment -0.0015 -0.00152 -0.15 0.0022 0.00223 0.17 0.013 0.0574 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G01 mock treatment 0.0035 0.00348 0.34 0.0062 0.00623 0.47 0.5753 0.9879 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G02 mock treatment 0.0025 0.00247 0.24 0.0012 0.00124 0.09 0.2385 0.9131 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G03 compound treatment 5.0E-4 4.77E-4 0.05 -8.0E-4 -7.67E-4 -0.06 -0.0077 -0.1029 915 SPBio_001081 OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G04 compound treatment 0.0025 0.00248 0.24 0.0062 0.00623 0.47 0.5054 0.9533 2060472 SPBio_001082 C[C@@]12CCC3C(C=CC4=CC(=O)CC[C@]34C)C2CC[C@@]1(O)CCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G05 compound treatment 0.0125 0.0125 1.23 0.0102 0.0102 0.77 1.4172 0.9748 3173092 SPBio_001083 CN(C)CCOC(c1ccccc1)c2ccccc2.Cn1c(=O)n(C)c2nc(Cl)[nH]c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G06 compound treatment 0.0025 0.00248 0.24 -0.0258 -0.0258 -1.95 -1.2044 -0.6136 815 SPBio_001084 CCN(CC)C(=O)c1cccc(C)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G07 compound treatment 0.0025 0.00247 0.24 0.0012 0.00123 0.09 0.2384 0.9129 3174481 SPBio_001085 CNC[C@@H](O)c1ccc(O)c(O)c1.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G08 compound treatment 0.0025 0.00248 0.24 0.0042 0.00423 0.32 0.3987 0.9912 772 SPBio_001086 CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G09 compound treatment 0.0135 0.0135 1.33 0.0152 0.0152 1.15 1.7539 0.9974 803 SPBio_001087 CCc1cc(ccn1)C(=S)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G10 compound treatment -0.0205 -0.0205 -2.02 -0.0188 -0.0188 -1.42 -2.4335 -0.985 904 SPBio_001088 NC(=O)CN1CCCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G11 compound treatment -0.0055 -0.00552 -0.54 -0.0188 -0.0188 -1.42 -1.3885 -0.9136 1150 SPBio_001089 OC(=O)CCCCCCCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G12 compound treatment 5.0E-4 4.77E-4 0.05 -0.0028 -0.00277 -0.21 -0.1144 -0.5345 1111 SPBio_001090 CCC(C)C1NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCNC(=O)C(NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(NC1=O)C(C)CC)C(C)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(NC(=O)C(CCNCS(=O)(=O)O)NC(=O)CCCCC(C)C)C(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G13 compound treatment -0.0265 -0.0265 -2.62 -0.0258 -0.0258 -1.95 -3.2248 -0.9894 790 SPBio_001091 COc1ccc2[C@@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G14 compound treatment 0.0055 0.00548 0.54 0.0122 0.0122 0.92 1.0351 0.9674 1000054 SPBio_001092 CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(NC(=O)C4CCCN4C(=O)C(Cc5ccccc5)NC1=O)C(C)C)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G15 compound treatment -0.0065 -0.00652 -0.64 -0.0018 -0.00177 -0.13 -0.5493 -0.8359 809 SPBio_001093 CNCCC=C1c2ccccc2CCc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G16 compound treatment -0.0175 -0.0175 -1.73 -0.0058 -0.00577 -0.44 -1.5294 -0.8585 464 SPBio_001094 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G17 compound treatment 0.0015 0.00148 0.15 -8.0E-4 -7.67E-4 -0.06 0.0621 0.396 1181 SPBio_001095 Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G18 compound treatment 0.0055 0.00548 0.54 2.0E-4 2.36E-4 0.02 0.3946 0.7301 1257 SPBio_001096 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G19 compound treatment 0.0055 0.00548 0.54 0.0022 0.00223 0.17 0.5012 0.8857 948 SPBio_001097 O=C1C(C(=O)c2ccccc12)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G20 compound treatment 0.0045 0.0045 0.44 0.0032 0.0032 0.24 0.4846 0.9593 3046211 SPBio_001098 CCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)/[C@@H](OC4C[C@H](OC)C(O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6\CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@@]76O)C)O2)C=C[C@@H]1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G21 compound treatment 0.0015 0.00148 0.15 -8.0E-4 -7.67E-4 -0.06 0.0621 0.396 3174102 SPBio_001099 OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G22 compound treatment 0.0035 0.00348 0.34 0.0022 0.00223 0.17 0.3618 0.9466 900 SPBio_001100 CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G23 mock treatment -0.0065 -0.00651 -0.64 -0.0068 -0.00677 -0.51 -0.8155 -0.9936 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 G24 mock treatment 0.0025 0.00247 0.24 -0.0018 -0.00177 -0.13 0.0783 0.2816 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H01 mock treatment -5.0E-4 -5.23E-4 -0.05 2.0E-4 2.33E-4 0.02 -0.024 -0.4407 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H02 mock treatment 0.0025 0.00248 0.24 0.0062 0.00623 0.47 0.5056 0.9534 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H03 compound treatment 0.0045 0.00447 0.44 0.0012 0.00124 0.09 0.378 0.8381 1104 SPBio_001101 C[C@H](CCC(=O)O)[C@H]1CCC2C3C(CC(=O)[C@]12C)[C@@]4(C)CCC(=O)CC4CC3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H04 compound treatment 0.0075 0.00747 0.74 0.0082 0.00823 0.62 0.9608 0.9964 2529 SPBio_001102 COP(=S)(OC)Oc1ccc(SC)c(C)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H05 compound treatment 0.0025 0.00248 0.24 0.0072 0.00723 0.55 0.5588 0.9342 1430 SPBio_001103 CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H06 compound treatment 5.0E-4 4.77E-4 0.05 -0.0028 -0.00277 -0.21 -0.1144 -0.5345 2531 SPBio_001104 CNC(=O)Oc1ccccc1OC(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H07 compound treatment 0.0195 0.0195 1.92 0.0092 0.00923 0.7 1.8521 0.9058 1409 SPBio_001105 CCCC(C)(COC(=O)N)COC(=O)NC(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H08 compound treatment 0.0015 0.00148 0.15 0.0072 0.00723 0.55 0.4891 0.8655 2533 SPBio_001106 Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H09 compound treatment -0.0085 -0.00853 -0.84 -0.0078 -0.00777 -0.59 -1.0093 -0.9844 1587 SPBio_001107 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)C[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H10 compound treatment -0.0235 -0.0235 -2.32 -0.0178 -0.0178 -1.34 -2.5885 -0.9661 3177463 SPBio_001108 CC1=C(N2C(SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H11 compound treatment -0.0115 -0.0115 -1.14 -0.0018 -0.00177 -0.13 -0.8974 -0.7848 745 SPBio_001109 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H12 compound treatment -0.0085 -0.00851 -0.84 -0.0048 -0.00477 -0.36 -0.8482 -0.9284 835 SPBio_001110 CC(=O)OC1CN2CCC1CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H13 compound treatment -0.0035 -0.00353 -0.35 0.0032 0.00323 0.24 -0.0733 -0.1725 436 SPBio_001111 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H14 compound treatment -0.0035 -0.00351 -0.35 -0.0028 -0.00277 -0.21 -0.3927 -0.9706 4164 SPBio_001112 CC(C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H15 compound treatment 0.0025 0.0025 0.25 -8.0E-4 -7.67E-4 -0.06 0.1332 0.5266 1575 SPBio_001113 CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H16 compound treatment -0.0385 -0.0385 -3.8 -0.0308 -0.0308 -2.32 -4.3287 -0.9721 2060327 SPBio_001114 COc1cc2CCN(C)[C@H]3Oc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c32)cc7)N(C)CCc6cc5OC)c4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H17 compound treatment 0.0025 0.0025 0.25 2.0E-4 2.33E-4 0.02 0.1866 0.7558 3055248 SPBio_001115 C=CC(C1=CC(=O)C=CC1=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H18 compound treatment -0.0035 -0.00353 -0.35 -0.0078 -0.00777 -0.59 -0.6605 -0.9689 1522 SPBio_001116 CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H19 compound treatment 0.0065 0.00647 0.64 0.0012 0.00123 0.09 0.5174 0.8018 729 SPBio_001117 OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H20 compound treatment -5.0E-4 -5.26E-4 -0.05 0.0012 0.00123 0.09 0.0292 0.2737 3177316 SPBio_001118 C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)C4CC[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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H21 compound treatment -0.0105 -0.0105 -1.04 -0.0118 -0.0118 -0.89 -1.3621 -0.997 1113841 SPBio_001119 Oc1ccc2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H22 compound treatment -0.0115 -0.0115 -1.14 -0.0098 -0.00977 -0.74 -1.3246 -0.9781 3063989 SPBio_001120 C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]42OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]4[C@@H]5O[C@@]51C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H23 mock treatment 0.0015 0.00148 0.15 -0.0028 -0.00277 -0.21 -0.0446 -0.1753 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 H24 mock treatment 0.0035 0.00348 0.34 0.0032 0.00323 0.24 0.4152 0.9862 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I01 mock treatment 5.0E-4 4.77E-4 0.05 0.0032 0.00323 0.24 0.2059 0.8281 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I02 mock treatment 5.0E-4 4.77E-4 0.05 0.0012 0.00124 0.09 0.0993 0.9496 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I03 compound treatment -5.0E-4 -5.23E-4 -0.05 0.0012 0.00124 0.09 0.0295 0.2766 969 SPBio_001121 CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I04 compound treatment -0.0055 -0.0055 -0.54 -0.0088 -0.0088 -0.66 -0.8534 -0.995 2558 SPBio_001122 c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I05 compound treatment -5.0E-4 -5.23E-4 -0.05 0.0012 0.00123 0.09 0.0294 0.276 3174228 SPBio_001123 CN[C@H]1C(O)C(O)C(CO)OC1OC2[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)OC(C)[C@]2(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I06 compound treatment -0.0015 -0.00153 -0.15 -8.0E-4 -7.67E-4 -0.06 -0.1474 -0.9137 1009654 SPBio_001124 COc1ccc(cc1OC)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I07 compound treatment -0.0085 -0.00853 -0.84 -0.0048 -0.00477 -0.36 -0.8492 -0.9283 1224 SPBio_001125 C[C@@]12CCC3C(CCc4cc(O)ccc34)C2CC[C@@H]1OC(=O)CCC5CCCC5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I08 compound treatment -0.0015 -0.00151 -0.15 0.0012 0.00123 0.09 -0.0397 -0.2257 1012 SPBio_001126 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I09 compound treatment -0.0045 -0.00452 -0.45 -0.0088 -0.00877 -0.66 -0.7835 -0.9816 1139 SPBio_001127 C[C@@]12CCC3C(CCc4cc(O)ccc34)C2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I10 compound treatment -5.0E-4 -5.23E-4 -0.05 -0.0028 -0.00277 -0.21 -0.1842 -0.8561 3172974 SPBio_001128 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I11 compound treatment -0.0045 -0.00452 -0.45 -8.0E-4 -7.62E-4 -0.06 -0.3562 -0.7918 1188 SPBio_001129 NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I12 compound treatment -0.0055 -0.00552 -0.54 -0.0088 -0.00877 -0.66 -0.8532 -0.9953 1206 SPBio_001130 CC(=C)[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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I13 compound treatment -0.0055 -0.00551 -0.54 -0.0028 -0.00277 -0.21 -0.5322 -0.9136 1215 SPBio_001131 CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I14 compound treatment -0.0075 -0.00752 -0.74 -0.0048 -0.00477 -0.36 -0.7792 -0.9448 3078331 SPBio_001132 OC(=O)c1cccc(O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I15 compound treatment -0.0075 -0.00753 -0.74 -0.0018 -0.00177 -0.13 -0.6192 -0.8209 1219 SPBio_001133 CC[C@@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I16 compound treatment 0.0015 0.00148 0.15 0.0032 0.00323 0.24 0.2755 0.9695 810 SPBio_001134 CCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I17 compound treatment -0.0075 -0.00752 -0.74 -0.0038 -0.00377 -0.28 -0.7259 -0.9133 838 SPBio_001135 COc1ccc(C(=O)c2ccccc2)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I18 compound treatment 0.0165 0.0165 1.63 0.0012 0.00123 0.09 1.2165 0.7464 704 SPBio_001136 CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I19 compound treatment -5.0E-4 -5.24E-4 -0.05 0.0022 0.00223 0.17 0.0827 0.4687 3273 SPBio_001137 NNCCc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I20 compound treatment 0.0035 0.00348 0.34 -0.0018 -0.00177 -0.13 0.1483 0.4029 1585 SPBio_001138 CC(C)c1ccc(C)c2ccc(C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I21 compound treatment 5.0E-4 4.77E-4 0.05 0.0022 0.00223 0.17 0.1525 0.8711 1131 SPBio_001139 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I22 compound treatment -5.0E-4 -5.26E-4 -0.05 0.0022 0.00223 0.17 0.0825 0.4677 1000377 SPBio_001140 CC(C)c1nc(nc(c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2ccc(F)cc2)N(C)S(=O)(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I23 mock treatment -0.0035 -0.00352 -0.35 -8.0E-4 -7.63E-4 -0.06 -0.2865 -0.8132 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 I24 mock treatment 0.0035 0.00347 0.34 -0.0018 -0.00176 -0.13 0.1482 0.4032 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J01 mock treatment -0.0085 -0.00852 -0.84 -0.0098 -0.00977 -0.74 -1.1159 -0.9979 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J02 mock treatment -0.0045 -0.00452 -0.45 -8.0E-4 -7.67E-4 -0.06 -0.3564 -0.7922 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J03 compound treatment -0.0035 -0.00352 -0.35 -0.0038 -0.00376 -0.28 -0.4467 -0.995 1000134 SPBio_001141 Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J04 compound treatment -0.0205 -0.0205 -2.02 -0.0158 -0.0158 -1.19 -2.2725 -0.968 1000093 SPBio_001142 CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J05 compound treatment 0.0105 0.0105 1.03 0.0112 0.0112 0.85 1.3304 0.9952 1113 SPBio_001143 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(=O)O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J06 compound treatment -0.0025 -0.00252 -0.25 0.0022 0.00223 0.17 -0.0568 -0.1888 2141064 SPBio_001144 COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J07 compound treatment -0.0025 -0.00252 -0.25 2.0E-4 2.33E-4 0.02 -0.1635 -0.6554 3055370 SPBio_001145 COC(=O)c1c(C)c2Oc3c(Cl)c(OC(=O)C)c(Cl)c(C)c3C(=O)Oc2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J08 compound treatment -0.0015 -0.00152 -0.15 0.0042 0.00423 0.32 0.1197 0.3391 3079387 SPBio_001146 CN(/C=N/c1ccc(C)cc1C)/C=N/c2ccc(C)cc2C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J09 compound treatment -0.0105 -0.0105 -1.04 -0.0058 -0.0058 -0.44 -1.042 -0.9265 2069224 SPBio_001147 COc1ccc(cc1)c2c(O)c3cc4CCC(C)(C)Oc4c(CC=C(C)C)c3oc2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J10 compound treatment -0.0045 -0.00452 -0.45 -8.0E-4 -7.67E-4 -0.06 -0.3564 -0.7922 3177525 SPBio_001148 NCCCC(N)C(=O)O.OC(=O)CCC(=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J11 compound treatment -0.0035 -0.00352 -0.35 -0.0018 -0.00177 -0.13 -0.3401 -0.9135 2060359 SPBio_001149 COc1ccc(cc1)c2c(O)c3c(OC)c4C=CC(C)(C)Oc4cc3oc2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J12 compound treatment -0.0105 -0.0105 -1.04 -0.0048 -0.00477 -0.36 -0.9885 -0.8997 885 SPBio_001150 Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J13 compound treatment 5.0E-4 4.77E-4 0.05 0.0092 0.00923 0.7 0.5262 0.7531 2060346 SPBio_001151 CC(=O)Oc1cc2c(CC=C3[C@@]2(C)CC[C@@]4(C)C5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O)c(C)c1OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J14 compound treatment -0.0055 -0.00552 -0.54 -0.0028 -0.00277 -0.21 -0.5329 -0.9134 3046390 SPBio_001152 CCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J15 compound treatment -0.0045 -0.00452 -0.45 -0.0038 -0.00377 -0.28 -0.5166 -0.9763 2060444 SPBio_001153 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c4c(=O)c(O)cccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J16 compound treatment -0.0075 -0.00753 -0.74 2.0E-4 2.38E-4 0.02 -0.5123 -0.6898 3198427 SPBio_001154 CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J17 compound treatment 0.0015 0.00148 0.15 0.0062 0.00623 0.47 0.4358 0.8846 2060377 SPBio_001155 COc1c(ccc2OC(C)(C)CCc12)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J18 compound treatment 0.0035 0.00347 0.34 0.0072 0.00723 0.55 0.6285 0.9748 1072288 SPBio_001156 CC(=C)C1CNC(C1CC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J19 compound treatment 5.0E-4 4.73E-4 0.05 -0.0028 -0.00277 -0.21 -0.1147 -0.536 2060190 SPBio_001157 C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@H](CC[C@]5(C)C4C(=O)[C@@H](OC(=O)C)[C@]23C)OC(=O)C)O[C@@]61CCC(C)CO6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J20 compound treatment -0.0025 -0.00252 -0.25 -0.0018 -0.00177 -0.13 -0.2703 -0.9572 3198428 SPBio_001158 CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N2[C@@H](CC3CCCCC32)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J21 compound treatment 0.0025 0.00247 0.24 0.0032 0.00323 0.24 0.3452 1.0 1312 SPBio_001159 C[As](=O)(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J22 compound treatment -0.0115 -0.0115 -1.14 -0.0088 -0.00877 -0.66 -1.271 -0.967 1078453 SPBio_001160 Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J23 mock treatment -0.0065 -0.00653 -0.64 -0.0058 -0.00577 -0.44 -0.763 -0.9818 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 J24 mock treatment 5.0E-4 4.73E-4 0.05 -0.0048 -0.00477 -0.36 -0.2214 -0.6104 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K01 mock treatment -0.0085 -0.00852 -0.84 -0.0048 -0.00477 -0.36 -0.849 -0.9283 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K02 mock treatment -5.0E-4 -5.23E-4 -0.05 2.0E-4 2.36E-4 0.02 -0.0239 -0.4372 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K03 compound treatment -0.0075 -0.00752 -0.74 -0.0038 -0.00377 -0.28 -0.7258 -0.9133 1024 SPBio_001161 c1ccc2c(c1)sc3ccccc32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K04 compound treatment -0.0035 -0.00352 -0.35 -0.0028 -0.00277 -0.21 -0.3934 -0.9703 2566 SPBio_001162 CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K05 compound treatment -0.0075 -0.00751 -0.74 -0.0088 -0.00877 -0.66 -0.992 -0.9984 1518 SPBio_001163 OC(=O)c1cc(ccc1O)c2ccc(F)cc2F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K06 compound treatment -5.0E-4 -5.26E-4 -0.05 0.0012 0.00123 0.09 0.0292 0.2737 3198423 SPBio_001164 CO/N=C/1\CN(CC1CN)c2nc3n(cc(C(=O)O)c(=O)c3cc2F)C4CC4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K07 compound treatment -0.0025 -0.00252 -0.25 0.0012 0.00123 0.09 -0.1102 -0.4146 1240 SPBio_001165 CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K08 compound treatment 0.0045 0.0045 0.44 -0.0048 -0.0048 -0.36 0.0576 0.1006 2060461 SPBio_001166 COc1ccc(C2COc3c(OC)c(O)ccc3C2)c(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K09 compound treatment -0.0025 -0.00252 -0.25 2.0E-4 2.36E-4 0.02 -0.1634 -0.6547 1176 SPBio_001167 CC[C@@H](CO)NCCN[C@@H](CC)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K10 compound treatment -0.0025 -0.00252 -0.25 -0.0198 -0.0198 -1.49 -1.2312 -0.8138 2560 SPBio_001168 Cc1ccc2cc3c(ccc4ccccc43)c5CCc1c52 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K11 compound treatment -0.0075 -0.00751 -0.74 -0.0018 -0.00177 -0.13 -0.6184 -0.8212 3043753 SPBio_001169 [O-][N+](=O)c1ccc(/C=N/N2CCOC2=O)o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K12 compound treatment 0.0015 0.00148 0.15 0.0032 0.00323 0.24 0.2756 0.9695 2060305 SPBio_001170 CCCCC[C@H](CC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K13 compound treatment -0.0055 -0.00553 -0.55 -0.0028 -0.00276 -0.21 -0.533 -0.9131 1000104 SPBio_001171 Cc1c(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K14 compound treatment -0.0075 -0.00752 -0.74 0.0012 0.00124 0.09 -0.4587 -0.6133 1661997 SPBio_001172 CC12CCC3C(CCc4cc(OC(=O)c5ccccc5)ccc34)C2CCC1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K15 compound treatment 0.0035 0.00348 0.34 0.0062 0.00623 0.47 0.5752 0.9879 747 SPBio_001173 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCNCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K16 compound treatment -0.0105 -0.0105 -1.04 -0.0108 -0.0108 -0.81 -1.308 -0.9927 796 SPBio_001174 Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K17 compound treatment 0.0015 0.0015 0.15 2.0E-4 2.03E-4 0.02 0.1153 0.7765 996 SPBio_001175 NCCc1cc(O)c(O)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K18 compound treatment 0.0035 0.00348 0.34 -0.0028 -0.00276 -0.21 0.095 0.2366 3173859 SPBio_001176 CC(C)CC(=O)OC1C(O[C@@H]2C[C@H]([C@H]3CC[C@]4(CC5CC[C@H]4[C@]3(C)C2)[C@@H](O)C5=C)C(=O)O)OC(CO)C(OS(=O)(=O)O)C1OS(=O)(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K19 compound treatment 0.0075 0.00748 0.74 0.0052 0.00523 0.4 0.8009 0.9572 958 SPBio_001177 NC(=O)NC(=O)Cc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K20 compound treatment 0.0015 0.00148 0.15 0.0052 0.00523 0.4 0.3823 0.908 1324 SPBio_001178 CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K21 compound treatment -0.0015 -0.00152 -0.15 -0.0018 -0.00177 -0.13 -0.2006 -0.9982 881 SPBio_001179 CC12C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C2CC[C@]1(O)C(=O)COP(=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K22 compound treatment -0.0085 -0.00851 -0.84 -0.0038 -0.00377 -0.28 -0.7948 -0.8965 1000411 SPBio_001180 CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K23 mock treatment -0.0045 -0.00453 -0.45 -0.0028 -0.00277 -0.21 -0.4633 -0.9401 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 K24 mock treatment -0.0015 -0.00153 -0.15 -0.0068 -0.00677 -0.51 -0.4676 -0.8782 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L01 mock treatment -0.0045 -0.00452 -0.45 -0.0038 -0.00377 -0.28 -0.5166 -0.9763 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L02 mock treatment -0.0085 -0.00851 -0.84 -0.0058 -0.00577 -0.44 -0.9016 -0.9532 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L03 compound treatment -0.0015 -0.00152 -0.15 0.0022 0.00223 0.17 0.013 0.0575 3198426 SPBio_001181 NCC(CC(=O)O)c1ccc(Cl)s1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L04 compound treatment -0.0055 -0.00552 -0.54 0.0062 0.00623 0.47 -0.0525 -0.0729 3069053 SPBio_001182 CCOC(=O)n1ccn(C)c1=S 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L05 compound treatment 0.0015 0.00148 0.15 -0.0028 -0.00277 -0.21 -0.0447 -0.1755 3202 SPBio_001183 COc1ccccc1N2CCN(CCCNc3cc(=O)n(C)c(=O)n3C)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L06 compound treatment -0.0095 -0.00951 -0.94 -0.0068 -0.00677 -0.51 -1.0248 -0.9591 2069303 SPBio_001184 COC(=O)CCC(=O)O[C@H]1CCC2(C)C(CCC3C4CC5OC6(CCC(C)CO6)[C@@H](C)C5C4(C)[C@H](O)C(=O)C32)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L07 compound treatment -0.0025 -0.00252 -0.25 -8.0E-4 -7.67E-4 -0.06 -0.2169 -0.8489 3177465 SPBio_001185 CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)OC(C)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L08 compound treatment -0.0075 -0.0075 -0.74 -0.0058 -0.0058 -0.44 -0.8328 -0.9686 3054136 SPBio_001186 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L09 compound treatment -0.0045 -0.00453 -0.45 -0.0038 -0.00377 -0.28 -0.5167 -0.9762 1000807 SPBio_001187 CN1CCN(CC1)C(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L10 compound treatment -5.0E-4 -5.23E-4 -0.05 0.0072 0.00723 0.55 0.3496 0.6374 2060309 SPBio_001188 CC12CCC3C(CCC4(O)CC(O)CCC34/C=N/NC(=O)N)C2(O)CCC1C5=CC(=O)OC5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L11 compound treatment -0.0065 -0.00651 -0.64 2.0E-4 2.33E-4 0.02 -0.4418 -0.6875 3174220 SPBio_001189 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)C5O[C@H](C[C@@H]5C)C6O[C@@](O)(CO)[C@H](C)C[C@@H]6C)[C@@H]1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L12 compound treatment -0.0045 -0.0045 -0.44 0.0052 0.0052 0.39 -0.0363 -0.0613 3079388 SPBio_001190 COc1ccc2CC[C@H]3C[C@H](O)CC[C@]3(C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L13 compound treatment -0.0055 -0.00552 -0.54 -0.0058 -0.00577 -0.44 -0.6931 -0.9938 2038 SPBio_001191 CCN(CC)C(=S)SSC(=S)N(CC)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L14 compound treatment -0.0095 -0.00951 -0.94 -0.0128 -0.0128 -0.96 -1.3451 -0.9999 967 SPBio_001192 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)/C=C/C=C(\C)/C=C/C2=C(C)CCCC2(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L15 compound treatment 0.0025 0.00248 0.24 0.0052 0.00523 0.4 0.4521 0.9733 1589 SPBio_001193 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc2ccc(O)cc2)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L16 compound treatment -0.0105 -0.0105 -1.04 0.0042 0.00423 0.32 -0.508 -0.4677 418 SPBio_001194 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L17 compound treatment -5.0E-4 -5.03E-4 -0.05 0.0102 0.0102 0.77 0.5096 0.6602 1214 SPBio_001195 CCOC(=O)Nc1c[n+](no1)N2CCOCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L18 compound treatment 0.0065 0.00647 0.64 0.0032 0.00323 0.24 0.6241 0.913 1293 SPBio_001196 CC(=O)OCC[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L19 compound treatment -0.0015 -0.00152 -0.15 -0.0018 -0.00176 -0.13 -0.2004 -0.9982 3480106 SPBio_001197 CC(C)(C(=O)O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L20 compound treatment -0.0055 -0.00552 -0.54 -0.0028 -0.00277 -0.21 -0.5329 -0.9134 746 SPBio_001198 C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L21 compound treatment -0.0025 -0.00252 -0.25 -0.0018 -0.00177 -0.13 -0.2703 -0.9571 3000787 SPBio_001199 [O-][N+](=O)c1ccc(cc1)c2ccc(/C=N/N3CC(=O)NC3=O)o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L22 compound treatment -0.0065 -0.00652 -0.64 -0.0058 -0.00577 -0.44 -0.7628 -0.9819 3177462 SPBio_001200 CCCCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@@]21C)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L23 mock treatment -0.0035 -0.00353 -0.35 -0.0038 -0.00377 -0.28 -0.447 -0.995 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 L24 mock treatment -5.0E-4 -5.26E-4 -0.05 -0.0028 -0.00277 -0.21 -0.1844 -0.8568 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M01 mock treatment 0.0045 0.00447 0.44 0.0052 0.00523 0.4 0.5915 0.9985 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M02 mock treatment 0.0015 0.00148 0.15 0.0042 0.00423 0.32 0.329 0.9366 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M03 compound treatment 0.0025 0.00248 0.24 0.0062 0.00623 0.47 0.5055 0.9533 1018 SPBio_001201 COc1ccc2C[C@H]3[C@@H]4CCCC[C@@]4(CCN3C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M04 compound treatment 0.0015 0.00147 0.15 0.0022 0.00223 0.17 0.222 0.9972 1696 SPBio_001202 CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M05 compound treatment 0.0045 0.00447 0.44 0.0012 0.00124 0.09 0.378 0.8381 1164 SPBio_001203 CCN(CC)C(=O)N1CCN(C)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M06 compound treatment -0.0125 -0.0125 -1.23 0.0012 0.00124 0.09 -0.8068 -0.6518 1012497 SPBio_001204 NC(Cc1c[nH]c2ccccc12)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M07 compound treatment -0.0015 -0.00152 -0.15 0.0052 0.00523 0.4 0.1731 0.4096 1378 SPBio_001205 NCCc1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M08 compound treatment 0.0035 0.00348 0.34 0.0112 0.0112 0.85 0.8422 0.9206 3055 SPBio_001206 NC(=N)NCCN1CCCCCCC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M09 compound treatment 5.0E-4 4.77E-4 0.05 -0.0028 -0.00276 -0.21 -0.1143 -0.5344 1462 SPBio_001207 CC1C(CCC(C)(C)N1C)OC(=O)C(O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M10 compound treatment 0.0035 0.00348 0.34 0.0062 0.00623 0.47 0.5753 0.9879 896 SPBio_001208 COc1ccccc1OCC(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M11 compound treatment 0.0015 0.0015 0.15 0.0022 0.0022 0.17 0.222 0.9982 1000135 SPBio_001209 CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M12 compound treatment 0.0035 0.00348 0.34 0.0062 0.00623 0.47 0.5753 0.9879 1238 SPBio_001210 Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M13 compound treatment 0.0075 0.00749 0.74 -0.0058 -0.00577 -0.44 0.2143 0.25 2117626 SPBio_001211 Fc1ccc(cc1)C(CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34)c5ccc(F)cc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M14 compound treatment 0.0025 0.00247 0.24 0.0192 0.0192 1.45 1.1993 0.8145 1344 SPBio_001212 CCCC(=O)O[C@@]1(CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M15 compound treatment -0.0475 -0.0475 -4.69 -0.0488 -0.0488 -3.68 -5.9173 -0.9929 1115 SPBio_001213 C[C@@]12CCC3C(CCC4=C3CCC(=O)C4)C2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M16 compound treatment 0.0015 0.00148 0.15 0.0092 0.00923 0.7 0.5959 0.8368 3055280 SPBio_001214 CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M17 compound treatment 0.0205 0.0205 2.02 0.0072 0.00723 0.55 1.8151 0.8671 3173215 SPBio_001215 Cc1onc(c1C(=O)NC2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M18 compound treatment 0.0015 0.00148 0.15 0.0102 0.0102 0.77 0.6493 0.8259 1001518 SPBio_001216 CCC[C@H](N[C@@H](C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@@H]21)C(=O)O)C(=O)OCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M19 compound treatment 0.0015 0.0015 0.15 2.0E-4 2.03E-4 0.02 0.1153 0.7765 952 SPBio_001217 CC(C)(S)[C@@H](N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M20 compound treatment 0.0015 0.0015 0.15 0.0142 0.0142 1.07 0.8626 0.7969 732 SPBio_001218 Oc1cc(cc([N+](=O)[O-])c1O)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M21 compound treatment 5.0E-4 4.77E-4 0.05 0.0022 0.00223 0.17 0.1525 0.8711 848 SPBio_001219 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M22 compound treatment -0.0035 -0.00352 -0.35 0.0042 0.00423 0.32 -0.0198 -0.0418 1402 SPBio_001220 CC[N+](C)(C)c1cccc(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M23 mock treatment -5.0E-4 -5.26E-4 -0.05 2.0E-4 2.38E-4 0.02 -0.024 -0.4374 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 M24 mock treatment 0.0075 0.00748 0.74 0.0042 0.00423 0.32 0.7475 0.93 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N01 mock treatment 0.0065 0.00647 0.64 0.0052 0.00523 0.4 0.731 0.9734 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N02 mock treatment 0.0095 0.00948 0.93 0.0022 0.00223 0.17 0.7803 0.8215 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N03 compound treatment 0.0045 0.00448 0.44 0.0042 0.00423 0.32 0.5382 0.9874 1331 SPBio_001221 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N04 compound treatment 0.0065 0.00648 0.64 0.0042 0.00423 0.32 0.6777 0.9488 451 SPBio_001222 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N05 compound treatment 0.0015 0.00148 0.15 -0.0018 -0.00177 -0.13 0.0086 0.0437 1494 SPBio_001223 C1CN(CCN1)c2ccc3ccccc3n2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N06 compound treatment 0.0055 0.00548 0.54 -8.0E-4 -7.67E-4 -0.06 0.3411 0.6278 1454 SPBio_001224 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](CCC6C5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N07 compound treatment 0.0035 0.00349 0.34 0.0042 0.00423 0.32 0.4692 0.9993 1313 SPBio_001225 Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N08 compound treatment 5.0E-4 4.77E-4 0.05 -8.0E-4 -7.67E-4 -0.06 -0.0077 -0.1029 935 SPBio_001226 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N09 compound treatment 0.0355 0.0355 3.5 0.0022 0.00223 0.17 2.5944 0.7403 806 SPBio_001227 OC(=O)C1CCCNC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N10 compound treatment 0.0035 0.00348 0.34 0.0042 0.00423 0.32 0.4684 0.9994 1297 SPBio_001228 COc1cc(CC=C)ccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N11 compound treatment 0.0055 0.00548 0.54 0.0112 0.0112 0.85 0.9817 0.9763 1258 SPBio_001229 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCNCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N12 compound treatment -0.0085 -0.00852 -0.84 2.0E-4 2.33E-4 0.02 -0.582 -0.6921 945 SPBio_001230 C[C@@H]1CC2C3C[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)COC(=O)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N13 compound treatment 0.0045 0.00449 0.44 0.0092 0.00923 0.7 0.8059 0.976 2555 SPBio_001231 CCOC(=O)NC1=C(C2CC2)C(=O)C(=C(C3CC3)C1=O)NC(=O)OCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N14 compound treatment 0.0075 0.00748 0.74 0.0042 0.00423 0.32 0.7475 0.93 694 SPBio_001232 C[C@H]1CC2C3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)C4(C)C=CC(=O)C=C14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N15 compound treatment 0.0135 0.0135 1.33 0.0012 0.00124 0.09 1.006 0.7549 448 SPBio_001233 Clc1cccc(Cl)c1N=C2NCCN2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N16 compound treatment 5.0E-4 4.77E-4 0.05 -0.0028 -0.00277 -0.21 -0.1144 -0.5345 742 SPBio_001234 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)C2[C@H](O)C[C@H]4/C(=C(/CCC=C(C)C)\C(=O)O)/[C@H](C[C@@]43C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N17 compound treatment 0.0125 0.0125 1.23 0.0092 0.00923 0.7 1.3638 0.9637 1204 SPBio_001235 CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N18 compound treatment 0.0065 0.00648 0.64 0.0072 0.00723 0.55 0.8379 0.9969 1261 SPBio_001236 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N19 compound treatment -0.0015 -0.00152 -0.15 0.0052 0.00523 0.4 0.1731 0.4096 3173761 SPBio_001237 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N20 compound treatment 0.0085 0.00848 0.84 0.0122 0.0122 0.92 1.2443 0.9988 1136 SPBio_001238 C[C@@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)COC(=O)CCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N21 compound treatment 0.0095 0.00949 0.94 0.0082 0.00823 0.62 1.1012 0.9803 924 SPBio_001239 NC(=N)NC(=N)Nc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N22 compound treatment -0.0105 -0.0105 -1.04 -0.0168 -0.0168 -1.27 -1.629 -0.9952 859 SPBio_001240 CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)C3CC[C@@]21C)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N23 mock treatment 0.0075 0.00747 0.74 0.0062 0.00623 0.47 0.8541 0.9765 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 N24 mock treatment 5.0E-4 4.77E-4 0.05 -0.0018 -0.00176 -0.13 -0.0608 -0.4311 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O01 mock treatment 0.0015 0.00147 0.15 -8.0E-4 -7.63E-4 -0.06 0.062 0.3968 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O02 mock treatment 0.0025 0.00248 0.24 0.0072 0.00723 0.55 0.5589 0.9342 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O03 compound treatment -0.0025 -0.00253 -0.25 -0.0028 -0.00277 -0.21 -0.3238 -0.9961 3172851 SPBio_001241 C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O04 compound treatment -0.0025 -0.00252 -0.25 -0.0048 -0.00477 -0.36 -0.4305 -0.9838 52159 SPBio_001242 COc1ccc2[nH]cc(CCN)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O05 compound treatment 5.0E-4 4.73E-4 0.05 0.0022 0.00223 0.17 0.1523 0.8699 3059213 SPBio_001243 COc1ccc(C(=O)c2ccccc2O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O06 compound treatment -0.0015 -0.00153 -0.15 -0.0018 -0.00176 -0.13 -0.2006 -0.9981 1009556 SPBio_001244 Nc1c2ccccc2nc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O07 compound treatment -5.0E-4 -5.27E-4 -0.05 0.0012 0.00123 0.09 0.0291 0.2725 1112 SPBio_001245 CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O08 compound treatment 0.0025 0.0025 0.25 0.0032 0.0032 0.24 0.3452 1.0 2060287 SPBio_001246 Cc1c(O)c(O)cc2c1CC=C3[C@@]2(C)CC[C@@]4(C)C5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O09 compound treatment -0.0105 -0.0105 -1.04 -0.0118 -0.0118 -0.89 -1.3623 -0.9972 3058535 SPBio_001247 C[C@@]12CCC3C(CCc4cc(O)ccc34)C2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O10 compound treatment -0.0075 -0.00753 -0.74 -0.0098 -0.00977 -0.74 -1.0463 -1.0 3044526 SPBio_001248 NC(=N)N/N=C\c1c(Cl)cccc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O11 compound treatment -0.0095 -0.00952 -0.94 -0.0158 -0.0158 -1.19 -1.5059 -0.9931 3177453 SPBio_001249 CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O12 compound treatment -0.0035 -0.00352 -0.35 -8.0E-4 -7.67E-4 -0.06 -0.2867 -0.8137 825 SPBio_001250 CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O13 compound treatment -0.0075 -0.00751 -0.74 -0.0068 -0.0068 -0.51 -0.8869 -0.9839 3045799 SPBio_001251 NC(=Nc1nc(CSCC/C(=N\S(=O)(=O)N)/N)cs1)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O14 compound treatment -0.1405 -0.141 -13.86 -0.1258 -0.126 -9.5 -16.5155 -0.983 3173079 SPBio_001252 CC1(C)N[C@@H](C(=O)N1C2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O15 compound treatment -5.0E-4 -5.26E-4 -0.05 -0.0018 -0.00176 -0.13 -0.1308 -0.9158 1509 SPBio_001253 Cn1c(COC(=O)N)ncc1[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O16 compound treatment 0.0055 0.00549 0.54 0.0042 0.00423 0.32 0.6087 0.9684 2060386 SPBio_001254 CCN1C[C@]2(C)CC[C@H](OC)[C@@]34C2[C@H](O)[C@]5(OCO[C@]65C[C@H](OC)[C@H]7C[C@]4(O)C6[C@H]7O)C13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O17 compound treatment 0.0065 0.00649 0.64 0.0032 0.00323 0.24 0.6251 0.9127 1443 SPBio_001255 CN(C)CCOC(c1ccccc1)c2ccccc2C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O18 compound treatment 5.0E-4 4.77E-4 0.05 0.0022 0.00223 0.17 0.1525 0.8711 2857 SPBio_001256 O=C1CCc2cc(OCCCCc3nnnn3C4CCCCC4)ccc2N1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O19 compound treatment 0.0055 0.00549 0.54 0.0072 0.00723 0.55 0.7688 1.0 719 SPBio_001257 CN(CC#C)Cc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O20 compound treatment 0.0055 0.00548 0.54 0.0082 0.00823 0.62 0.8215 0.9976 3198424 SPBio_001258 CN(C)CCCN1C(=C(C)Sc2ccccc12)/C=C(\C=C)/C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O21 compound treatment 0.0045 0.00447 0.44 0.0042 0.00423 0.32 0.538 0.9875 931 SPBio_001259 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O22 compound treatment 0.0045 0.00448 0.44 0.0052 0.00523 0.4 0.5917 0.9985 3059817 SPBio_001260 CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nn[nH]n3)[C@@H](C(C)C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O23 mock treatment 5.0E-4 4.77E-4 0.05 -0.0018 -0.00176 -0.13 -0.0608 -0.4311 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 O24 mock treatment -0.0015 -0.00152 -0.15 -8.0E-4 -7.67E-4 -0.06 -0.1472 -0.9139 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P01 mock treatment -0.0025 -0.00252 -0.25 -0.0018 -0.00177 -0.13 -0.2703 -0.9572 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P02 mock treatment 0.0035 0.00347 0.34 0.0042 0.00423 0.32 0.4683 0.9994 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P03 compound treatment -0.0025 -0.00251 -0.25 -0.0048 -0.0048 -0.36 -0.4314 -0.9829 1213 SPBio_001261 CNCCc1ccccn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P04 compound treatment -0.0045 -0.00452 -0.45 -0.0058 -0.00576 -0.44 -0.6232 -0.9999 3198429 SPBio_001262 CC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P05 compound treatment -0.0015 -0.00153 -0.15 -0.0038 -0.00377 -0.28 -0.3075 -0.9558 749 SPBio_001263 NC(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P06 compound treatment 5.0E-4 4.77E-4 0.05 -0.0028 -0.00277 -0.21 -0.1144 -0.5345 1062 SPBio_001264 COc1ccccc1OCC(O)COC(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P07 compound treatment -0.0205 -0.0205 -2.02 -0.0178 -0.0178 -1.34 -2.3792 -0.9801 1119 SPBio_001265 CSCCC(NC=O)C(=O)NC(Cc1ccccc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P08 compound treatment -0.0025 -0.00252 -0.25 -0.0058 -0.00577 -0.44 -0.4838 -0.9648 842 SPBio_001266 Cn1cc[nH]c1=S 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P09 compound treatment -0.0015 -0.0015 -0.15 -0.0018 -0.0018 -0.14 -0.2008 -0.999 449 SPBio_001267 CC1=CC(=O)c2ccccc2C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P10 compound treatment -0.0045 -0.00453 -0.45 -0.0108 -0.0108 -0.81 -0.8904 -0.9602 1234 SPBio_001268 C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)C2[C@@]4(C)C=CC(=O)C=C14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P11 compound treatment -0.0095 -0.0095 -0.94 -0.0078 -0.0078 -0.59 -1.0791 -0.9749 1464728 SPBio_001269 Cn1c(=O)[nH]c2nc[nH]c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P12 compound treatment 0.0015 0.00148 0.15 0.0012 0.00123 0.09 0.1688 0.9766 3045140 SPBio_001270 CC(C)[N+]1(C)C2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P13 compound treatment -0.0085 -0.00852 -0.84 -0.0088 -0.00876 -0.66 -1.0624 -0.993 925 SPBio_001271 C[C@@H]([C@H](O)c1ccccc1)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P14 compound treatment 5.0E-4 4.73E-4 0.05 -0.0018 -0.00177 -0.13 -0.0613 -0.434 1321 SPBio_001272 Cc1cc(=O)[nH]c(=S)[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P15 compound treatment -0.0035 -0.00352 -0.35 -0.0028 -0.00277 -0.21 -0.3934 -0.9703 1492782 SPBio_001273 OCNC(=O)c1cccnc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P16 compound treatment -5.0E-4 -5.26E-4 -0.05 -0.0068 -0.00677 -0.51 -0.3979 -0.775 884 SPBio_001274 CN(C)CCC(c1ccccc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P17 compound treatment 0.0025 0.00248 0.24 0.0052 0.00523 0.4 0.4521 0.9733 771 SPBio_001275 CN1CCC(=C2c3ccsc3C(=O)Cc4ccccc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P18 compound treatment 0.0055 0.00548 0.54 -0.0018 -0.00176 -0.13 0.2878 0.5174 822 SPBio_001276 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P19 compound treatment -5.0E-4 -5.23E-4 -0.05 -0.0028 -0.00276 -0.21 -0.184 -0.8562 1130 SPBio_001277 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P20 compound treatment -0.0075 -0.00752 -0.74 -0.0098 -0.00977 -0.74 -1.0461 -1.0 1511 SPBio_001278 Oc1ccc(cc1)C2(OC(=O)c3ccccc32)c4ccc(O)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P21 compound treatment -0.0075 -0.00752 -0.74 -0.0028 -0.00277 -0.21 -0.6724 -0.8722 752 SPBio_001279 CC1CCc2cc(F)cc3c(=O)c(cn1c23)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P22 compound treatment 0.0025 0.00247 0.24 0.0092 0.00923 0.7 0.6655 0.901 1208 SPBio_001280 CNC[C@H](O)c1cccc(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P23 mock treatment 0.0025 0.00248 0.24 0.0112 0.0112 0.85 0.7724 0.8752 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2161 P24 mock treatment -0.0065 -0.00653 -0.64 0.0072 0.00723 0.55 -0.0691 -0.0818 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A01 mock treatment -0.0011 -4.41E-4 -0.04 -0.0053 -0.00534 -0.4 -0.3159 -0.7788 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A02 mock treatment -0.0031 -0.00244 -0.24 -0.0053 -0.00534 -0.4 -0.4553 -0.9695 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A03 compound treatment -0.017 -0.0164 -1.62 -0.0114 -0.0114 -0.86 -1.7511 -0.9559 1126 SPBio_001281 O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A04 compound treatment -0.0031 -0.00244 -0.24 -3.0E-4 -3.45E-4 -0.03 -0.1884 -0.7793 1065 SPBio_001282 CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A05 compound treatment 0.023 0.0236 2.33 0.0166 0.0166 1.25 2.535 0.9576 968 SPBio_001283 CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A06 compound treatment -0.0061 -0.00544 -0.54 -0.0054 -0.00538 -0.41 -0.6667 -0.9906 802 SPBio_001284 Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A07 compound treatment -0.015 -0.0144 -1.42 -4.0E-4 -4.02E-4 -0.03 -1.0251 -0.7221 976 SPBio_001285 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A08 compound treatment -0.01 -0.00941 -0.93 -0.0094 -0.00936 -0.71 -1.1559 -0.991 1284 SPBio_001286 OC(=O)CN(CC(=O)O)Cc1cc2c(c3ccccc3C(=O)O)c4cc(CN(CC(=O)O)CC(=O)O)c(=O)cc4oc2cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A09 compound treatment -0.0031 -0.00244 -0.24 0.0046 0.00464 0.35 0.0774 0.1823 992 SPBio_001287 CC[C@H]1[C@@H](Cc2cncn2C)COC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A10 compound treatment -0.02 -0.0194 -1.91 -0.0124 -0.0124 -0.93 -2.0137 -0.9454 686 SPBio_001288 C(Nc1ncnc2[nH]cnc12)c3ccco3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A11 compound treatment -0.024 -0.0234 -2.31 -0.0234 -0.0234 -1.76 -2.8799 -0.9912 1428 SPBio_001289 CC(C)NCC(O)COc1cccc2[nH]ccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A12 compound treatment 0.0069 0.00756 0.75 -3.0E-4 -3.42E-4 -0.03 0.5093 0.6822 3058615 SPBio_001290 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A13 compound treatment -0.007 -0.00641 -0.63 -0.0033 -0.00334 -0.25 -0.6255 -0.9188 3173725 SPBio_001291 CCN1CCN(C(=O)NC(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A14 compound treatment -0.009 -0.00841 -0.83 -0.0104 -0.0104 -0.78 -1.1394 -0.9996 2069337 SPBio_001292 COC(=O)C(C)c1ccc(cc1)C(=O)c2cccs2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A15 compound treatment -0.011 -0.0104 -1.03 -0.0114 -0.0114 -0.86 -1.3323 -0.996 347 SPBio_001293 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A16 compound treatment -0.0081 -0.00744 -0.73 -0.0063 -0.00634 -0.48 -0.8574 -0.9786 1606 SPBio_001294 NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A17 compound treatment -0.0191 -0.0184 -1.82 -0.0103 -0.0103 -0.78 -1.8361 -0.9289 1000106 SPBio_001295 O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A18 compound treatment -0.01 -0.00941 -0.93 -0.0033 -0.00335 -0.25 -0.8347 -0.868 2060333 SPBio_001296 COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A19 compound treatment -0.0041 -0.00344 -0.34 -0.0043 -0.00434 -0.33 -0.4715 -0.9999 349 SPBio_001297 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccco4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A20 compound treatment 9.0E-4 0.00156 0.15 -0.0043 -0.00434 -0.33 -0.1229 -0.3395 3054675 SPBio_001298 CC(C)CCCC(C)C1CCC2/C(=C/C=C\3/C[C@@H](O)CCC3=C)/CCCC12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A21 compound treatment -0.0041 -0.00344 -0.34 0.0027 0.00265 0.2 -0.0982 -0.2493 1289 SPBio_001299 C[C@@]12C[C@H](O)C3C(CCC4=CC(=O)C=C[C@]34C)C2CC[C@]1(O)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A22 compound treatment -0.0051 -0.00444 -0.44 0.0037 0.00366 0.28 -0.1141 -0.2205 2060331 SPBio_001300 CC1=CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A23 mock treatment -0.0031 -0.00244 -0.24 0.0017 0.00165 0.12 -0.0818 -0.3019 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 A24 mock treatment -0.0061 -0.00544 -0.54 -0.0033 -0.00334 -0.25 -0.5578 -0.9408 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B01 mock treatment -0.009 -0.00841 -0.83 -0.0104 -0.0104 -0.78 -1.1395 -0.9996 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B02 mock treatment 9.0E-4 0.00156 0.15 -0.0063 -0.00634 -0.48 -0.2297 -0.4567 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B03 compound treatment -0.0041 -0.00344 -0.34 -0.0033 -0.00334 -0.25 -0.4183 -0.9894 1531 SPBio_001301 O=c1n([se]c2ccccc12)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B04 compound treatment 0.015 0.0156 1.54 -0.0064 -0.00638 -0.48 0.7467 0.4634 1339 SPBio_001302 CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B05 compound treatment -0.083 -0.0824 -8.13 -0.0544 -0.0544 -4.1 -8.65 -0.9499 1168 SPBio_001303 CC12CCC3C(CCc4cc(OCc5ccccc5)ccc34)C2C[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B06 compound treatment -0.01 -0.00941 -0.93 -0.0043 -0.00435 -0.33 -0.8881 -0.9024 691 SPBio_001304 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2C1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B07 compound treatment -0.0061 -0.00544 -0.54 -0.0083 -0.00834 -0.63 -0.8245 -0.9968 2060367 SPBio_001305 CS(=O)(=O)CCCCN=C=S 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B08 compound treatment -0.005 -0.00439 -0.43 -0.0054 -0.00538 -0.41 -0.5935 -0.9995 3173981 SPBio_001306 CCOC(=O)OC(C)OC(=O)C1N2C(SC1(C)C)C(NC(=O)[C@H](N)c3ccccc3)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B09 compound treatment -0.0121 -0.0114 -1.13 -0.0053 -0.00534 -0.4 -1.081 -0.9042 902 SPBio_001307 OC(=O)c1cc2cc(Cc3cccnc3)ccc2o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B10 compound treatment -0.0041 -0.00344 -0.34 -0.0043 -0.00434 -0.33 -0.4715 -0.9999 917 SPBio_001308 NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B11 compound treatment -0.025 -0.0244 -2.41 -0.0083 -0.00834 -0.63 -2.1479 -0.863 1045 SPBio_001309 C[C@@H]1CC2C3C[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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B12 compound treatment -0.029 -0.0284 -2.8 -0.0194 -0.0194 -1.46 -3.0138 -0.9544 841 SPBio_001310 C/C(=C(/CCOP(=O)(O)O)\SC(=O)c1ccccc1)/N(Cc2cnc(C)nc2N)C=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B13 compound treatment 0.0109 0.0116 1.14 -3.0E-4 -3.42E-4 -0.03 0.7881 0.6909 1258696 SPBio_001311 Cc1c(Cl)cccc1Nc2ccccc2C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B14 compound treatment -0.0151 -0.0144 -1.42 -0.0264 -0.0264 -1.99 -2.4155 -0.9865 1082 SPBio_001312 CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B15 compound treatment -0.01 -0.00941 -0.93 -0.0084 -0.00836 -0.63 -1.1025 -0.9824 1196 SPBio_001313 CCCOc1ccccc1c2nc3[nH]nnc3c(=O)[nH]2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B16 compound treatment -0.0081 -0.00744 -0.73 -0.0033 -0.00334 -0.25 -0.697 -0.8986 955 SPBio_001314 CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B17 compound treatment -0.0091 -0.00844 -0.83 -0.0113 -0.0113 -0.86 -1.1941 -0.9999 1076 SPBio_001315 Cc1cccc(C)c1NC2=NCCCS2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B18 compound treatment -0.0091 -0.00844 -0.83 -0.0063 -0.00634 -0.48 -0.9269 -0.9655 1000338 SPBio_001316 NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B19 compound treatment -0.0061 -0.00544 -0.54 -0.0043 -0.00434 -0.33 -0.6112 -0.9721 196 SPBio_001317 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B20 compound treatment -0.0071 -0.00644 -0.64 -0.0053 -0.00535 -0.4 -0.7345 -0.976 2359 SPBio_001318 CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@@H]32)n1c5ccccc45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B21 compound treatment -0.0041 -0.00344 -0.34 -0.0113 -0.0113 -0.86 -0.8452 -0.9177 1000121 SPBio_001319 C/C(=C\CO)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B22 compound treatment -0.0071 -0.00644 -0.64 -0.0084 -0.00836 -0.63 -0.8955 -1.0 755 SPBio_001320 CC(CN(C)C)CN1c2ccccc2CCc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B23 mock treatment -0.0071 -0.00644 -0.63 -0.0073 -0.00734 -0.55 -0.8409 -0.9977 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 B24 mock treatment -0.0031 -0.00244 -0.24 -0.0063 -0.00634 -0.48 -0.5087 -0.9493 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C01 mock treatment 9.0E-4 0.00156 0.15 7.0E-4 6.59E-4 0.05 0.144 0.8903 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C02 mock treatment 0.0029 0.00356 0.35 0.0037 0.00366 0.28 0.4438 0.9929 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C03 compound treatment -1.0E-4 5.64E-4 0.06 0.0017 0.00165 0.12 0.1276 0.9336 1455 SPBio_001321 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3[C@@H](O)C[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C04 compound treatment 0.0049 0.00556 0.55 0.0047 0.00466 0.35 0.6365 0.9769 1031375 SPBio_001322 NC(CCCNC(=O)N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C05 compound treatment -0.0011 -4.39E-4 -0.04 0.0037 0.00366 0.28 0.1647 0.589 1273 SPBio_001323 C[C@@]12CC(=O)C3C(CCC4=CC(=O)C=C[C@]34C)C2CC[C@]1(O)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C06 compound treatment -0.0061 -0.00544 -0.54 -0.0013 -0.00135 -0.1 -0.4512 -0.8263 3054270 SPBio_001324 COC(=O)[C@@H]1C(O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C07 compound treatment -1.0E-4 5.61E-4 0.06 0.0037 0.00366 0.28 0.2344 0.8322 962 SPBio_001325 CCC1(C(=O)NCNC1=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C08 compound treatment 9.0E-4 0.00156 0.15 0.0047 0.00466 0.35 0.3575 0.9313 2060265 SPBio_001326 COC(=O)CCC(C)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C09 compound treatment -0.0071 -0.00644 -0.64 0.0026 0.0026 0.2 -0.3105 -0.467 722 SPBio_001327 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C10 compound treatment -0.0031 -0.00244 -0.24 -0.0084 -0.00838 -0.63 -0.6174 -0.9121 2060267 SPBio_001328 CC(CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C11 compound treatment -1.0E-4 5.61E-4 0.06 -0.0033 -0.00334 -0.25 -0.1393 -0.5393 2431 SPBio_001329 CCN(CC)CCNC(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C12 compound treatment 0.0029 0.00356 0.35 0.0036 0.0036 0.27 0.4404 0.9919 3177457 SPBio_001330 CC(CCC(=O)O)[C@H]1CCC2C3C(CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C13 compound treatment 0.0159 0.0166 1.64 0.0116 0.0116 0.88 1.7785 0.9575 779 SPBio_001331 CCN(CC)CCOC(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C14 compound treatment -0.0071 -0.00644 -0.64 -0.0053 -0.00535 -0.4 -0.7346 -0.976 3174369 SPBio_001332 C[C@H]1OC(C[C@H](O)C1O)O[C@@H]2[C@@H](C)OC(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]6C5CC[C@]7(C)[C@H]([C@@H](O)C[C@]67O)C8=CC(=O)OC8)C4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C15 compound treatment -0.013 -0.0124 -1.22 -0.0053 -0.00534 -0.4 -1.1505 -0.8929 1041 SPBio_001333 CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C16 compound treatment -0.0031 -0.00244 -0.24 -0.0023 -0.00235 -0.18 -0.2954 -0.9887 2880 SPBio_001334 N[C@@H](CCC(=O)N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C17 compound treatment -0.0071 -0.00644 -0.64 0.0076 0.00764 0.58 -0.0415 -0.0484 1057 SPBio_001335 OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C18 compound treatment -0.0031 -0.00244 -0.24 0.0027 0.00266 0.2 -0.028 -0.0896 2060276 SPBio_001336 C[C@@H]1C(=O)OC2[C@H](O)C34[C@@H]5OC(=O)[C@@]4(O[C@@H]6OC(=O)[C@H](O)[C@@]63[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C19 compound treatment 0.0039 0.00456 0.45 0.0066 0.00664 0.5 0.6725 0.9985 1000117 SPBio_001337 CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C20 compound treatment 9.0E-4 0.00156 0.15 0.0027 0.00266 0.2 0.2507 0.9914 1275107 SPBio_001338 C1Cc2c(CN1)[nH]c3ccccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C21 compound treatment -0.0021 -0.00144 -0.14 -0.0073 -0.00734 -0.55 -0.4923 -0.8604 1397 SPBio_001339 CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C22 compound treatment 0.0059 0.00656 0.65 0.0037 0.00366 0.28 0.6531 0.9279 2060253 SPBio_001340 NC(CC(=O)c1ccccc1N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C23 mock treatment 0.0029 0.00356 0.35 0.0037 0.00365 0.28 0.4434 0.9928 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 C24 mock treatment -0.0021 -0.00144 -0.14 0.0077 0.00766 0.58 0.3084 0.5181 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D01 mock treatment -0.0021 -0.00144 -0.14 -0.0023 -0.00234 -0.18 -0.2254 -0.9941 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D02 mock treatment 0.0019 0.00256 0.25 -0.0023 -0.00234 -0.18 0.0537 0.1741 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D03 compound treatment -0.0011 -4.36E-4 -0.04 0.0037 0.00366 0.28 0.1649 0.5898 1205 SPBio_001341 CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D04 compound treatment -0.0031 -0.00244 -0.24 -0.0013 -0.00134 -0.1 -0.2416 -0.9263 1385 SPBio_001342 C(/C=C/N1CCN(CC1)C(c2ccccc2)c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D05 compound treatment -0.0041 -0.00344 -0.34 -0.0023 -0.00235 -0.18 -0.3649 -0.9542 1277 SPBio_001343 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)C(CCC7C6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D06 compound treatment 0.0049 0.00556 0.55 -0.0043 -0.00434 -0.33 0.1561 0.2443 1442 SPBio_001344 CC(=O)NC1SCCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D07 compound treatment -0.0011 -4.36E-4 -0.04 7.0E-4 6.58E-4 0.05 0.0047 0.0715 3172730 SPBio_001345 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCc4ccco4)ncnc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D08 compound treatment -0.0031 -0.00244 -0.24 0.0037 0.00366 0.28 0.0251 0.0686 1054 SPBio_001346 CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D09 compound treatment -0.1351 -0.134 -13.26 -0.0574 -0.0574 -4.33 -12.4371 -0.8917 1009973 SPBio_001347 OC(C(O)C(O)C(=O)O)C(O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D10 compound treatment -0.0041 -0.00344 -0.34 -0.0064 -0.00636 -0.48 -0.5795 -0.9855 716 SPBio_001348 CN(C)CCC=C1c2ccccc2C=Cc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D11 compound treatment -0.094 -0.0934 -9.21 -0.0013 -0.00134 -0.1 -6.5834 -0.7148 1036 SPBio_001349 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D12 compound treatment -0.0021 -0.00144 -0.14 7.0E-4 6.58E-4 0.05 -0.0653 -0.4339 1063 SPBio_001350 CC(CNCCc1ccc(O)c(O)c1)Cc2cccc(O)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D13 compound treatment 9.0E-4 0.00156 0.15 0.0017 0.00166 0.13 0.1976 0.9947 1608 SPBio_001351 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D14 compound treatment -0.0021 -0.00144 -0.14 -0.0013 -0.00135 -0.1 -0.172 -0.9867 1507 SPBio_001352 CC(N)CCCC(C)(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D15 compound treatment -0.0041 -0.00344 -0.34 -0.0013 -0.00134 -0.1 -0.3113 -0.88 769 SPBio_001353 CCCCOc1ccc(CC(=O)NO)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D16 compound treatment -0.0021 -0.00144 -0.14 -0.0013 -0.00135 -0.1 -0.1723 -0.9866 766 SPBio_001354 CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D17 compound treatment -0.0031 -0.00244 -0.24 -0.0013 -0.00134 -0.1 -0.2419 -0.926 717 SPBio_001355 OC(=O)c1ccccc1OP(=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D18 compound treatment -1.0E-4 5.61E-4 0.06 0.0017 0.00166 0.13 0.1277 0.9325 1348 SPBio_001356 Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D19 compound treatment -0.081 -0.0804 -7.93 -0.0604 -0.0604 -4.56 -8.8308 -0.9654 1117 SPBio_001357 Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D20 compound treatment 0.001 0.00164 0.16 0.0016 0.0016 0.12 0.1997 0.9895 1158 SPBio_001358 C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D21 compound treatment 0.0019 0.00256 0.25 0.0027 0.00266 0.2 0.3205 0.9936 3079211 SPBio_001359 COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC(=O)c3cc(ccc32)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D22 compound treatment -0.0021 -0.00144 -0.14 0.0017 0.00166 0.13 -0.0118 -0.0625 3046112 SPBio_001360 CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)[C@@]2(O1)C(=O)CCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D23 mock treatment 0.0059 0.00656 0.65 -3.0E-4 -3.45E-4 -0.03 0.4392 0.6781 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 D24 mock treatment -0.0031 -0.00244 -0.24 0.0017 0.00166 0.13 -0.0816 -0.301 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E01 mock treatment -0.0021 -0.00144 -0.14 0.0027 0.00266 0.2 0.0418 0.17 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E02 mock treatment 9.0E-4 0.00156 0.15 0.0027 0.00266 0.2 0.2509 0.9915 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E03 compound treatment 0.0029 0.00356 0.35 7.0E-4 6.54E-4 0.05 0.2835 0.7986 351 SPBio_001361 CC(C)NCC(O)COc1cccc2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E04 compound treatment -0.008 -0.00741 -0.73 -0.0023 -0.00234 -0.18 -0.6418 -0.8536 2069275 SPBio_001362 CC1(C)[C@H](CC[C@@]2(C)C1CC[C@@]3(C)C4CC[C@@]5(C)CC[C@@](C)(C[C@H]5C4=CC(=O)C32)C(=O)O)O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)O)[C@H](O)[C@H]6O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E05 compound treatment 0.0159 0.0166 1.64 0.0146 0.0146 1.11 1.9386 0.9817 912 SPBio_001363 CCCc1cc(=O)[nH]c(=S)[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E06 compound treatment -0.0021 -0.00144 -0.14 -0.0023 -0.00234 -0.18 -0.2252 -0.994 43 SPBio_001364 Fc1ccc(cc1)C(N2CCN(C/C=C/c3ccccc3)CC2)c4ccc(F)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E07 compound treatment -0.02 -0.0194 -1.91 -0.0214 -0.0214 -1.61 -2.4942 -0.9964 1000118 SPBio_001365 CN[C@@H](C)[C@@H](O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E08 compound treatment -0.0051 -0.00444 -0.44 0.0017 0.00166 0.13 -0.2212 -0.4856 936 SPBio_001366 OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E09 compound treatment -0.0061 -0.00544 -0.54 -0.0033 -0.00334 -0.25 -0.5578 -0.9408 3173593 SPBio_001367 CN1CCCN=C1/C=C/c2cccs2.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E10 compound treatment -0.145 -0.144 -14.24 -0.0984 -0.0984 -7.43 -15.322 -0.954 837 SPBio_001368 CCOc1ccc2NC(C)(C)C=C(C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E11 compound treatment -0.0121 -0.0114 -1.13 -0.0053 -0.00534 -0.4 -1.081 -0.9042 889 SPBio_001369 NC(=O)c1cnccn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E12 compound treatment -1.0E-4 5.64E-4 0.06 0.0027 0.00266 0.2 0.1812 0.8702 852 SPBio_001370 CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E13 compound treatment -0.026 -0.0254 -2.51 -0.0234 -0.0234 -1.76 -3.0192 -0.9852 830 SPBio_001371 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E14 compound treatment -0.0081 -0.00744 -0.73 7.0E-4 6.54E-4 0.05 -0.4838 -0.658 764 SPBio_001372 Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)n3c(=O)[nH]c4ccccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E15 compound treatment 0.132 0.133 13.08 0.1516 0.152 11.45 17.3431 0.9978 3174105 SPBio_001373 CN(C)c1ccc2[n+](C)c(/C=C/c3cc(C)n(c3C)c4ccccc4)ccc2c1.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E16 compound treatment 9.0E-4 0.00156 0.15 -0.0023 -0.00234 -0.18 -0.0162 -0.069 805 SPBio_001374 CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E17 compound treatment -0.0021 -0.00144 -0.14 -0.0043 -0.00435 -0.33 -0.3325 -0.9299 792 SPBio_001375 COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E18 compound treatment -0.0071 -0.00644 -0.63 -0.0073 -0.00734 -0.55 -0.8408 -0.9977 1033 SPBio_001376 CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E19 compound treatment 0.0029 0.00356 0.35 -0.0033 -0.00334 -0.25 0.0699 0.1617 836 SPBio_001377 CNC(C)C(O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E20 compound treatment -0.0061 -0.00544 -0.54 -0.0053 -0.00534 -0.4 -0.6646 -0.9901 699 SPBio_001378 OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E21 compound treatment 9.0E-4 0.00156 0.15 0.0017 0.00165 0.12 0.1971 0.9946 711 SPBio_001379 Oc1cccc(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E22 compound treatment -1.0E-4 5.64E-4 0.06 0.0057 0.00566 0.43 0.3414 0.7925 1172 SPBio_001380 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E23 mock treatment -1.0E-4 5.64E-4 0.06 0.0017 0.00166 0.13 0.1279 0.9332 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 E24 mock treatment -0.007 -0.00641 -0.63 0.0026 0.00264 0.2 -0.3062 -0.462 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F01 mock treatment -0.0011 -4.36E-4 -0.04 -0.0033 -0.00334 -0.25 -0.2088 -0.816 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F02 mock treatment -1.0E-4 5.64E-4 0.06 -0.0023 -0.00234 -0.18 -0.0857 -0.4624 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F03 compound treatment 0.0049 0.00556 0.55 -3.0E-4 -3.42E-4 -0.03 0.3698 0.6731 3173633 SPBio_001381 CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c3ccccc3)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F04 compound treatment 9.0E-4 0.00156 0.15 -0.0053 -0.00534 -0.4 -0.1763 -0.4085 1298 SPBio_001382 CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F05 compound treatment -0.006 -0.00541 -0.53 -0.0023 -0.00234 -0.18 -0.5023 -0.8936 1067 SPBio_001383 CO[C@]1(NC(=O)CSCC#N)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F06 compound treatment -0.0061 -0.00544 -0.54 -0.0053 -0.00534 -0.4 -0.6645 -0.9901 3045662 SPBio_001384 CC(N)C(O)c1cccc(O)c1.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F07 compound treatment -0.0021 -0.00144 -0.14 -0.0053 -0.00534 -0.4 -0.3854 -0.9015 3264 SPBio_001385 Cn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)C(OC=O)c4ccccc4)C3=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F08 compound treatment -0.0111 -0.0104 -1.03 -0.0053 -0.00535 -0.4 -1.0135 -0.9164 3069629 SPBio_001386 CC(=O)/N=c/1\sc(nn1C)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F09 compound treatment -0.0041 -0.00344 -0.34 -0.0023 -0.00234 -0.18 -0.3649 -0.9539 1323 SPBio_001387 CC1COc2c(N3CCN(C)CC3)c(F)cc4c(=O)c(cn1c24)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F10 compound treatment 9.0E-4 0.00156 0.15 -3.0E-4 -3.42E-4 -0.03 0.0906 0.5804 1286 SPBio_001388 Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F11 compound treatment -0.0061 -0.00544 -0.54 -0.0073 -0.00734 -0.55 -0.7713 -0.9999 1129 SPBio_001389 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F12 compound treatment -0.015 -0.0144 -1.42 -0.0033 -0.00334 -0.25 -1.1835 -0.8198 1535 SPBio_001390 COc1ccc(OC)c(c1)C(O)CNC(=O)CN 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F13 compound treatment -0.03 -0.0294 -2.9 -0.0284 -0.0284 -2.14 -3.564 -0.9891 2294 SPBio_001391 CC(=O)NC(C(=O)O)C(C)(C)SN=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F14 compound treatment -0.0021 -0.00144 -0.14 0.0047 0.00466 0.35 0.1483 0.391 1055 SPBio_001392 CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F15 compound treatment -0.0121 -0.0114 -1.13 -0.0013 -0.00135 -0.1 -0.8676 -0.7678 366 SPBio_001393 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F16 compound treatment -0.015 -0.0144 -1.42 -0.0094 -0.00936 -0.71 -1.5048 -0.948 1163 SPBio_001394 Oc1ccc2C[C@H]3N(CC4CC4)CCC5([C@H]6Oc1c25)[C@@]3(O)CCC6=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F17 compound treatment -0.0021 -0.00144 -0.14 0.0056 0.00564 0.43 0.2006 0.447 1591 SPBio_001395 CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c3ccccc13)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F18 compound treatment -0.0131 -0.0124 -1.22 0.0017 0.00165 0.12 -0.7773 -0.6317 1386 SPBio_001396 CN1CC(c2ccccc2)c3cccc(N)c3C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F19 compound treatment -0.0031 -0.00244 -0.24 -0.0023 -0.00234 -0.18 -0.2953 -0.9885 348755 SPBio_001397 OC(=O)c1cc2cc(F)ccc2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F20 compound treatment -0.0141 -0.0134 -1.32 -0.0043 -0.00434 -0.33 -1.1671 -0.8564 1436 SPBio_001398 CCCNC(C)C(=O)Nc1ccccc1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F21 compound treatment -0.0021 -0.00144 -0.14 -0.0013 -0.00134 -0.1 -0.172 -0.9863 873168 SPBio_001399 OC(=O)c1cc(O)c2ccc(Cl)cc2n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F22 compound treatment -0.0041 -0.00344 -0.34 -3.0E-4 -3.42E-4 -0.03 -0.2579 -0.7588 3480197 SPBio_001400 CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F23 mock treatment -0.0031 -0.00244 -0.24 -3.0E-4 -3.42E-4 -0.03 -0.1882 -0.7786 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 F24 mock treatment -1.0E-4 5.6E-4 0.06 -0.0013 -0.00134 -0.1 -0.0326 -0.2826 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G01 mock treatment -0.0021 -0.00144 -0.14 7.0E-4 6.55E-4 0.05 -0.0655 -0.4354 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G02 mock treatment -0.0021 -0.00144 -0.14 -0.0043 -0.00434 -0.33 -0.3322 -0.9299 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G03 compound treatment -0.0041 -0.00344 -0.34 -0.0033 -0.00334 -0.25 -0.4183 -0.9894 1264 SPBio_001401 OCc1ccccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G04 compound treatment 9.0E-4 0.00156 0.15 0.0047 0.00466 0.35 0.3576 0.9315 1438 SPBio_001402 CC(C(=O)O)c1cccc(Oc2ccccc2)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G05 compound treatment -0.0021 -0.00144 -0.14 0.0027 0.00266 0.2 0.0415 0.1688 1447 SPBio_001403 NC(=O)c1ccccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G06 compound treatment 9.0E-4 0.00156 0.15 0.0027 0.00266 0.2 0.2507 0.9914 1036721 SPBio_001404 Oc1c(oc2ccccc2c1=O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G07 compound treatment 0.0069 0.00756 0.75 0.0027 0.00266 0.2 0.6692 0.8665 933 SPBio_001405 CN1C2C[C@@H](C[C@H]1[C@H]3OC32)OC(=O)[C@H](CO)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G08 compound treatment -0.0021 -0.00144 -0.14 -0.0053 -0.00535 -0.4 -0.3858 -0.9017 3100 SPBio_001406 COc1c2OCOc2cc3CCN(C)Cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G09 compound treatment -0.0061 -0.00544 -0.54 -0.0013 -0.00134 -0.1 -0.451 -0.826 3174107 SPBio_001407 CN[C@@H]1C(O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CN)[C@@H]2O)OC[C@]1(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G10 compound treatment -1.0E-4 5.61E-4 0.06 -0.0054 -0.00536 -0.4 -0.2471 -0.6049 802058 SPBio_001408 COc1cc(/C=C/C(=O)O)ccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G11 compound treatment -0.1021 -0.101 -10.0 -0.0604 -0.0604 -4.56 -10.2956 -0.9366 795 SPBio_001409 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G12 compound treatment -0.0101 -0.00941 -0.93 -0.0053 -0.00535 -0.4 -0.9417 -0.9304 3173760 SPBio_001410 COc1cc2CCN(C)[C@@H]3Cc4cccc(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)c(O)c5)c4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G13 compound treatment -0.028 -0.0274 -2.7 -0.0124 -0.0124 -0.94 -2.5725 -0.8997 3059108 SPBio_001411 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]54CCC(=O)O5)C13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G14 compound treatment -0.0021 -0.00144 -0.14 -0.0013 -0.00134 -0.1 -0.172 -0.9863 1144 SPBio_001412 O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G15 compound treatment 0.0019 0.00256 0.25 0.0037 0.00366 0.28 0.3739 0.999 1155 SPBio_001413 Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G16 compound treatment 0.024 0.0246 2.43 0.0186 0.0186 1.41 2.7103 0.9664 2081691 SPBio_001414 CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G17 compound treatment 0.0069 0.00756 0.75 7.0E-4 6.58E-4 0.05 0.5625 0.7525 878 SPBio_001415 CC(=O)NS(=O)(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G18 compound treatment 0.0059 0.00656 0.65 0.0027 0.00266 0.2 0.5995 0.8848 1203 SPBio_001416 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G19 compound treatment -0.019 -0.0184 -1.81 -0.0074 -0.0074 -0.56 -1.6757 -0.8842 1159 SPBio_001417 Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G20 compound treatment 0.0069 0.00756 0.75 0.0047 0.00466 0.35 0.776 0.9411 1346 SPBio_001418 CCN(CC)CCNC(=O)COc1ccc(OC)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G21 compound treatment 0.0069 0.00756 0.75 0.0077 0.00766 0.58 0.9362 0.9921 1177 SPBio_001419 Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G22 compound treatment 9.0E-4 0.00156 0.15 -0.0033 -0.00334 -0.25 -0.0694 -0.2349 1210 SPBio_001420 CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G23 mock treatment -0.006 -0.00541 -0.53 0.0037 0.00366 0.28 -0.182 -0.303 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 G24 mock treatment -1.0E-4 5.62E-4 0.06 -0.0033 -0.00334 -0.25 -0.1392 -0.5388 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H01 mock treatment 0.0019 0.00256 0.25 -0.0083 -0.00834 -0.63 -0.2667 -0.393 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H02 mock treatment 0.0059 0.00656 0.65 0.0017 0.00165 0.12 0.5461 0.8282 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H03 compound treatment 0.0029 0.00356 0.35 0.0027 0.00266 0.2 0.3905 0.9647 1364 SPBio_001421 OC(=O)/C(=C/c1cccc(O)c1)/C#N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H04 compound treatment 0.0019 0.00256 0.25 -0.0063 -0.00634 -0.48 -0.1598 -0.2952 3173855 SPBio_001422 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(=N\OCOCCOC)/[C@H](C)[C@@H](O)[C@]1(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H05 compound treatment 0.0059 0.00656 0.65 0.0017 0.00165 0.12 0.5459 0.8282 829 SPBio_001423 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H06 compound treatment -0.014 -0.0134 -1.32 -0.0034 -0.0034 -0.26 -1.1134 -0.8293 1270 SPBio_001424 C[N+](C)(C)CCCCCC[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H07 compound treatment 0.0079 0.00856 0.84 -0.0013 -0.00134 -0.1 0.5255 0.6178 3061087 SPBio_001425 NC/C=C/C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H08 compound treatment 0.0029 0.00356 0.35 -0.0053 -0.00534 -0.4 -0.0368 -0.0689 1242 SPBio_001426 CN(CS(=O)(=O)O)c1c(C)n(C)n(c2ccccc2)c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H09 compound treatment -0.0121 -0.0114 -1.13 -0.0063 -0.00634 -0.48 -1.1343 -0.9275 3684 SPBio_001427 OC(=O)C1=CCCNC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H10 compound treatment -0.0121 -0.0114 -1.13 -0.0064 -0.00636 -0.48 -1.1354 -0.9279 1342 SPBio_001428 CN(C)C(=S)SSC(=S)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H11 compound treatment -0.007 -0.00641 -0.63 -0.0033 -0.00334 -0.25 -0.6255 -0.9188 1923 SPBio_001429 NC1(CC1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H12 compound treatment 0.001 0.00164 0.16 6.0E-4 5.98E-4 0.05 0.1464 0.8711 3173628 SPBio_001430 CN1C(C)(C)CCCC1(C)C.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H13 compound treatment 0.001 0.00164 0.16 0.0066 0.0066 0.5 0.4667 0.891 1111718 SPBio_001431 NC1(CCC1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H14 compound treatment -0.0021 -0.00144 -0.14 -3.0E-4 -3.42E-4 -0.03 -0.1187 -0.8222 758 SPBio_001432 CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H15 compound treatment -0.0761 -0.0754 -7.44 -0.0544 -0.0544 -4.1 -8.1618 -0.9607 121 SPBio_001433 OC(=O)c1cc(ccc1NCCCc2ccccc2)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H16 compound treatment 0.0059 0.00656 0.65 -0.0043 -0.00434 -0.33 0.2261 0.3115 1410 SPBio_001434 S=P(N1CC1)(N2CC2)N3CC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H17 compound treatment 0.0029 0.00356 0.35 0.0027 0.00266 0.2 0.3902 0.9647 1594 SPBio_001435 N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H18 compound treatment -1.0E-4 5.62E-4 0.06 0.0067 0.00666 0.5 0.3947 0.7804 1080 SPBio_001436 N[C@H](Cc1ccccc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H19 compound treatment 0.0059 0.00656 0.65 -0.0023 -0.00234 -0.18 0.3326 0.4957 1458 SPBio_001437 NC(Cc1ccc(Cl)cc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H20 compound treatment -1.0E-4 5.62E-4 0.06 0.0047 0.00466 0.35 0.2879 0.8087 1528 SPBio_001438 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H21 compound treatment -0.0061 -0.00544 -0.54 -0.0113 -0.0113 -0.86 -0.9849 -0.9746 3198954 SPBio_001439 CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H22 compound treatment 0.0039 0.00456 0.45 0.0057 0.00566 0.43 0.6204 0.9997 846 SPBio_001440 Cc1nc2sccn2c(=O)c1CCN3CCC(=C(c4ccc(F)cc4)c5ccc(F)cc5)CC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H23 mock treatment -0.0011 -4.36E-4 -0.04 0.0047 0.00466 0.35 0.2183 0.616 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 H24 mock treatment -0.0031 -0.00244 -0.24 -0.0013 -0.00134 -0.1 -0.2416 -0.9263 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I01 mock treatment 0.0019 0.00259 0.26 -0.0013 -0.00135 -0.1 0.1089 0.396 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I02 mock treatment -0.0031 -0.00244 -0.24 0.0047 0.00466 0.35 0.0788 0.1849 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I03 compound treatment -0.025 -0.0244 -2.41 -0.0284 -0.0284 -2.14 -3.2166 -0.9983 934 SPBio_001441 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I04 compound treatment 9.0E-4 0.00156 0.15 -0.0043 -0.00434 -0.33 -0.1229 -0.3395 1350 SPBio_001442 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I05 compound treatment 9.0E-4 0.00156 0.15 -0.0013 -0.00134 -0.1 0.0374 0.2027 799 SPBio_001443 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I06 compound treatment -1.0E-4 5.6E-4 0.06 -0.0033 -0.00334 -0.25 -0.1393 -0.5396 1233 SPBio_001444 CO[C@@H]1[C@@H](O)[C@H](C)O[C@H](O[C@H]2CC[C@@]3(C=O)[C@H](CCC4C3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I07 compound treatment -0.0071 -0.00644 -0.64 7.0E-4 6.58E-4 0.05 -0.414 -0.6498 867 SPBio_001445 Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I08 compound treatment -1.0E-4 5.61E-4 0.06 -0.0013 -0.00134 -0.1 -0.0325 -0.2819 3173860 SPBio_001446 O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC6CCC6)c54 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I09 compound treatment -0.0051 -0.00444 -0.44 -3.0E-4 -3.42E-4 -0.03 -0.3279 -0.7475 753 SPBio_001447 O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I10 compound treatment -0.026 -0.0254 -2.5 -0.0194 -0.0194 -1.46 -2.8045 -0.9675 714 SPBio_001448 CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I11 compound treatment -0.0051 -0.00444 -0.44 -0.0013 -0.00134 -0.1 -0.3813 -0.8483 1192 SPBio_001449 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I12 compound treatment 0.0019 0.00256 0.25 -0.0053 -0.00534 -0.4 -0.1064 -0.2234 3174345 SPBio_001450 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N.OC(=O)c1cc(ccc1O)S(=O)(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I13 compound treatment -0.0061 -0.00544 -0.54 0.0017 0.00166 0.13 -0.2909 -0.528 1212 SPBio_001451 CC/1=C(CC(=O)O)c2cc(F)ccc2\C1=C/c3ccc(cc3)S(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I14 compound treatment -0.0031 -0.00244 -0.24 -3.0E-4 -3.42E-4 -0.03 -0.1884 -0.7785 1291 SPBio_001452 CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I15 compound treatment -0.0011 -4.39E-4 -0.04 0.0067 0.00666 0.5 0.3248 0.6438 743 SPBio_001453 CC(C)(C)NCC(O)c1cc(O)cc(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I16 compound treatment 0.0029 0.00356 0.35 -0.0023 -0.00234 -0.18 0.1236 0.3141 728 SPBio_001454 Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I17 compound treatment -0.0071 -0.00644 -0.64 -0.0013 -0.00134 -0.1 -0.5209 -0.8096 1218 SPBio_001455 CCCCNc1ccc(cc1)C(=O)OCCN(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I18 compound treatment 0.0049 0.00556 0.55 0.0067 0.00666 0.5 0.7433 0.9991 733 SPBio_001456 CC1(CC2CC3(C)C1)CC(N)(C2)C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I19 compound treatment 9.0E-4 0.00156 0.15 7.0E-4 6.58E-4 0.05 0.144 0.8901 1418 SPBio_001457 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I20 compound treatment 0.0029 0.00356 0.35 0.0037 0.00366 0.28 0.4436 0.9929 983 SPBio_001458 NCCCS(=O)(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I21 compound treatment 0.0029 0.00356 0.35 0.0047 0.00466 0.35 0.497 1.0 1444 SPBio_001459 C1CN=C(N1)C2CCCc3ccccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I22 compound treatment -0.002 -0.00136 -0.13 0.0016 0.0016 0.12 -0.0095 -0.0527 840551 SPBio_001460 NCCCCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I23 mock treatment -0.0031 -0.00244 -0.24 0.0087 0.00866 0.65 0.2921 0.4193 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 I24 mock treatment 0.0029 0.00356 0.35 -0.0023 -0.00234 -0.18 0.1235 0.314 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J01 mock treatment -0.0091 -0.00844 -0.83 -0.0053 -0.00534 -0.4 -0.8738 -0.9446 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J02 mock treatment -0.0041 -0.00344 -0.34 7.0E-4 6.54E-4 0.05 -0.2048 -0.5978 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J03 compound treatment 0.0069 0.00756 0.75 -0.0013 -0.00134 -0.1 0.4559 0.6055 3471022 SPBio_001461 CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J04 compound treatment -0.0021 -0.00144 -0.14 -0.0023 -0.00234 -0.18 -0.2252 -0.994 3173083 SPBio_001462 CO[C@H]1[C@H](O)CC(=O)O[C@@H](C)C/C=C/C=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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J05 compound treatment -0.005 -0.00441 -0.43 -0.0043 -0.00434 -0.33 -0.5393 -0.9903 1581 SPBio_001463 CNC(=N)NCCCC(N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J06 compound treatment 9.0E-4 0.00156 0.15 -0.0053 -0.00534 -0.4 -0.1763 -0.4084 115 SPBio_001464 COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J07 compound treatment 0.001 0.00164 0.16 -0.0024 -0.0024 -0.18 -0.0138 -0.0568 869 SPBio_001465 CCC1(C)CC(=O)NC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J08 compound treatment 9.0E-4 0.00156 0.15 0.0017 0.00166 0.13 0.1974 0.9947 839 SPBio_001466 Nc1nc2n(COCCO)cnc2c(=O)[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J09 compound treatment -0.0031 -0.00244 -0.24 -0.0063 -0.00634 -0.48 -0.5087 -0.9493 3172968 SPBio_001467 CCC1NC(=O)C(C(O)C(C)C/C=C/C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J10 compound treatment -0.0051 -0.00444 -0.44 -0.0023 -0.00234 -0.18 -0.4347 -0.9204 897 SPBio_001468 CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J11 compound treatment -0.008 -0.00741 -0.73 -0.0094 -0.00936 -0.71 -1.0166 -0.9999 3173475 SPBio_001469 CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](OC3O[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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J12 compound treatment -0.0041 -0.00344 -0.34 -0.0013 -0.00134 -0.1 -0.3115 -0.8799 117 SPBio_001470 CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J13 compound treatment -0.004 -0.00336 -0.33 -0.0054 -0.0054 -0.41 -0.5227 -0.9947 3198430 SPBio_001471 CC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(F)(F)F)C(C)C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J14 compound treatment -0.0031 -0.00244 -0.24 -0.0033 -0.00334 -0.25 -0.3486 -0.9997 1417 SPBio_001472 CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J15 compound treatment -0.006 -0.00536 -0.53 -0.0064 -0.00638 -0.48 -0.7145 -0.9989 3079212 SPBio_001473 NCCCN.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J16 compound treatment -0.0021 -0.00144 -0.14 -3.0E-4 -3.42E-4 -0.03 -0.1184 -0.8224 757 SPBio_001474 OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J17 compound treatment 0.005 0.00559 0.55 -0.0033 -0.00334 -0.25 0.2115 0.3488 3198431 SPBio_001475 CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J18 compound treatment 0.0089 0.00956 0.94 0.0017 0.00166 0.13 0.7556 0.794 1038 SPBio_001476 O=C1CCCN1CC#CCN2CCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J19 compound treatment -0.027 -0.0264 -2.6 -0.0044 -0.0044 -0.33 -2.0735 -0.7911 1095029 SPBio_001477 CCCCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J20 compound treatment -0.0031 -0.00244 -0.24 0.0037 0.00366 0.28 0.0251 0.0686 382 SPBio_001478 NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J21 compound treatment 0.0019 0.00256 0.25 0.0097 0.00966 0.73 0.6945 0.8998 3079213 SPBio_001479 N[C@@H](CCC(=O)N[C@@H](CCSC(CC(=O)O)C(=O)O)C(=O)NCC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J22 compound treatment -0.0071 -0.00644 -0.64 0.0067 0.00666 0.5 -0.0937 -0.1157 1512 SPBio_001480 CC(C)NCC(O)c1ccc2ccccc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J23 mock treatment -0.0031 -0.00244 -0.24 0.0017 0.00166 0.13 -0.0814 -0.3002 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 J24 mock treatment -1.0E-4 5.62E-4 0.06 -0.0043 -0.00434 -0.33 -0.1926 -0.5792 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K01 mock treatment -0.0021 -0.00144 -0.14 0.0017 0.00166 0.13 -0.0118 -0.0625 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K02 mock treatment -0.0011 -4.36E-4 -0.04 -0.0063 -0.00634 -0.48 -0.369 -0.7676 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K03 compound treatment -1.0E-4 5.61E-4 0.06 7.0E-4 6.58E-4 0.05 0.0742 0.9986 737 SPBio_001481 c1nc(cs1)c2nc3ccccc3[nH]2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K04 compound treatment -1.0E-4 5.62E-4 0.06 -3.0E-4 -3.42E-4 -0.03 0.021 0.3427 723 SPBio_001482 CC(C)NCC(O)COc1ccc(CC(=O)N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K05 compound treatment -0.0071 -0.00644 -0.64 -0.0053 -0.00534 -0.4 -0.7343 -0.976 731 SPBio_001483 CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K06 compound treatment 9.0E-4 0.00156 0.15 -0.0023 -0.00234 -0.18 -0.016 -0.0683 990 SPBio_001484 CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K07 compound treatment -0.0041 -0.00344 -0.34 0.0056 0.00564 0.43 0.061 0.112 972 SPBio_001485 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3/C(=C\CCN4CCN(C)CC4)/c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K08 compound treatment -0.001 -3.89E-4 -0.04 0.0036 0.0036 0.27 0.1649 0.6011 338 SPBio_001486 Nc1ccncc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K09 compound treatment 9.0E-4 0.00156 0.15 0.0047 0.00466 0.35 0.3576 0.9315 833 SPBio_001487 CC(C)(C)NC[C@@H](O)COc1nsnc1N2CCOCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K10 compound treatment -0.0041 -0.00344 -0.34 7.0E-4 6.54E-4 0.05 -0.205 -0.5979 783 SPBio_001488 CO[C@@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]2Cc4cn(C)c5cccc1c45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K11 compound treatment -0.0021 -0.00144 -0.14 7.0E-4 6.54E-4 0.05 -0.0655 -0.4356 2572 SPBio_001489 COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c32)cc7)N(C)CCc6cc5OC)c4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K12 compound treatment -0.0011 -4.39E-4 -0.04 -0.0053 -0.00534 -0.4 -0.3158 -0.7786 86 SPBio_001490 COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K13 compound treatment 0.0029 0.00356 0.35 -0.0033 -0.00334 -0.25 0.0699 0.1617 1000109 SPBio_001491 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K14 compound treatment -0.0091 -0.00841 -0.83 7.0E-4 6.54E-4 0.05 -0.5516 -0.6638 1016 SPBio_001492 CN1CCOC(c2ccccc2)c3ccccc3C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K15 compound treatment 0.0059 0.00656 0.65 -0.0114 -0.0114 -0.86 -0.1489 -0.1386 883 SPBio_001493 CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K16 compound treatment -0.0111 -0.0104 -1.03 -0.0013 -0.00135 -0.1 -0.7978 -0.7733 786 SPBio_001494 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K17 compound treatment 0.006 0.00664 0.66 0.0037 0.00366 0.28 0.6585 0.9263 824 SPBio_001495 CC[C@]1(CCCN2CCc3c4[C@@H]21)C[C@@](O)(C(=O)OC)n4c5ccccc35 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K18 compound treatment -0.0021 -0.00144 -0.14 -0.0043 -0.00434 -0.33 -0.3323 -0.93 741 SPBio_001496 Cc1ccccc1OCC(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K19 compound treatment 0.0019 0.00256 0.25 0.0027 0.00266 0.2 0.3205 0.9935 1052 SPBio_001497 CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K20 compound treatment 0.0019 0.00256 0.25 -0.0023 -0.00235 -0.18 0.0535 0.1733 751 SPBio_001498 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K21 compound treatment -0.062 -0.0614 -6.05 -0.058 -0.058 -4.38 -7.3761 -0.9874 1223 SPBio_001499 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K22 compound treatment -0.0021 -0.00144 -0.14 0.0017 0.00166 0.13 -0.0118 -0.0625 1241 SPBio_001500 NC(=N)NS(=O)(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K23 mock treatment -0.0021 -0.00144 -0.14 0.0017 0.00166 0.13 -0.0117 -0.0617 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 K24 mock treatment -0.0061 -0.00544 -0.54 -0.0033 -0.00334 -0.25 -0.5575 -0.9408 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L01 mock treatment 0.0049 0.00556 0.55 -0.0073 -0.00734 -0.55 -0.0041 -0.0053 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L02 mock treatment 0.0049 0.00556 0.55 -0.0023 -0.00234 -0.18 0.2631 0.4563 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L03 compound treatment -0.0011 -4.36E-4 -0.04 -0.0063 -0.00634 -0.48 -0.3689 -0.7676 3198432 SPBio_001501 CSC(=N)NCCC[C@@H](N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L04 compound treatment 0.0019 0.00256 0.25 0.0027 0.00266 0.2 0.3206 0.9935 1269 SPBio_001502 CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L05 compound treatment -0.0051 -0.00444 -0.44 0.0097 0.00966 0.73 0.206 0.2422 3198433 SPBio_001503 NC(Cc1c[nH]cn1)C(=O)Nc2ccc3ccccc3c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L06 compound treatment -0.008 -0.00741 -0.73 -0.0023 -0.00234 -0.18 -0.6418 -0.8535 1486 SPBio_001504 CC(C)NCC(O)COc1ccc(NC(=O)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L07 compound treatment 0.002 0.00264 0.26 0.0066 0.0066 0.5 0.5364 0.9543 3176939 SPBio_001505 ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L08 compound treatment -0.005 -0.00439 -0.43 6.0E-4 6.38E-4 0.05 -0.2721 -0.6246 1415 SPBio_001506 FC(F)(F)c1cccc(c1)N2CCNCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L09 compound treatment -0.01 -0.00941 -0.93 -0.0093 -0.00934 -0.71 -1.1547 -0.9908 3198434 SPBio_001507 NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L10 compound treatment -0.014 -0.0134 -1.32 -0.0113 -0.0113 -0.86 -1.5394 -0.978 419 SPBio_001508 CC1=NN(C(=O)C1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L11 compound treatment -0.0231 -0.0224 -2.21 -0.0154 -0.0154 -1.16 -2.3831 -0.9547 3079214 SPBio_001509 CC(C)CC(NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L12 compound treatment 9.0E-4 0.00156 0.15 -0.0114 -0.0114 -0.86 -0.4976 -0.5711 907188 SPBio_001510 COc1cccc(OC)c1OCCNCC2COc3ccccc3O2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L13 compound treatment -0.1631 -0.162 -16.02 -0.1474 -0.147 -11.13 -19.1946 -0.9841 3198435 SPBio_001511 N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L14 compound treatment -0.0111 -0.0104 -1.03 -0.0013 -0.00134 -0.1 -0.7976 -0.7731 1478 SPBio_001512 Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L15 compound treatment 0.011 0.0116 1.14 -0.0013 -0.00135 -0.1 0.7366 0.6417 2269 SPBio_001513 Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L16 compound treatment -0.036 -0.0354 -3.49 -0.0414 -0.0414 -3.13 -4.6765 -0.9985 445 SPBio_001514 NC(=O)c1cccc(N)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L17 compound treatment 0.018 0.0186 1.84 0.0146 0.0146 1.1 2.0795 0.97 3054972 SPBio_001515 CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C2CC1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L18 compound treatment 0.0039 0.00456 0.45 0.0017 0.00166 0.13 0.4067 0.8709 1248 SPBio_001516 C[C@@]12CCC3C(CCc4cc(OC(=O)CCC(=O)O)ccc34)C2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L19 compound treatment -0.0271 -0.0264 -2.61 -0.0244 -0.0244 -1.84 -3.1426 -0.9855 3079215 SPBio_001517 CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L20 compound treatment -0.0011 -4.39E-4 -0.04 -3.0E-4 -3.42E-4 -0.03 -0.0489 -0.9694 2060318 SPBio_001518 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@]12O[C@]2(C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/C3=C(C)C[C@@H](O)CC3(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L21 compound treatment -0.0011 -4.36E-4 -0.04 0.0017 0.00166 0.13 0.0581 0.4389 740 SPBio_001519 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L22 compound treatment -0.011 -0.0104 -1.03 -0.0083 -0.00834 -0.63 -1.1711 -0.9725 1023 SPBio_001520 CN[C@H](CC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L23 mock treatment 0.0029 0.00356 0.35 -3.0E-4 -3.45E-4 -0.03 0.2301 0.6529 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 L24 mock treatment -1.0E-4 5.62E-4 0.06 -0.0023 -0.00234 -0.18 -0.0857 -0.4629 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M01 mock treatment 0.0069 0.00756 0.75 0.0106 0.0106 0.8 1.0955 0.9993 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M02 mock treatment 0.0019 0.00256 0.25 0.0116 0.0116 0.88 0.8 0.875 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M03 compound treatment 0.0059 0.00656 0.65 0.0067 0.00666 0.5 0.8133 0.9922 2069343 SPBio_001521 COc1ccc2[C@H](OC(=O)c2c1OC)[C@H]3N(C)CCc4cc5OCOc5cc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M04 compound treatment -0.02 -0.0194 -1.91 -0.0043 -0.00434 -0.33 -1.5856 -0.8163 1529 SPBio_001522 COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M05 compound treatment 0.0069 0.00756 0.75 0.0037 0.00366 0.28 0.7229 0.9086 949 SPBio_001523 OC(=O)c1cc(O)c2ccccc2n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M06 compound treatment -0.002 -0.00136 -0.13 0.0056 0.0056 0.42 0.204 0.4602 871 SPBio_001524 Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M07 compound treatment -0.0851 -0.0844 -8.33 -0.0714 -0.0714 -5.39 -9.6971 -0.9778 362 SPBio_001525 CCN(CC)CC(=O)Nc1c(C)cccc1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M08 compound treatment 0.011 0.0116 1.14 0.0066 0.00664 0.5 1.1628 0.9315 3480067 SPBio_001526 CC(NCCc1ccc(O)cc1)C(O)c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M09 compound treatment -0.0011 -4.39E-4 -0.04 0.0037 0.00366 0.28 0.1646 0.5889 988 SPBio_001527 COc1ccc2[nH]cc(CCNC(=O)C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M10 compound treatment -0.017 -0.0164 -1.62 -0.0094 -0.00936 -0.71 -1.6443 -0.931 3058009 SPBio_001528 CCN1CCC(CNC(=O)c2cc(ccc2OC)S(=O)(=O)N)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M11 compound treatment 0.0029 0.00356 0.35 0.0067 0.00666 0.5 0.6037 0.9846 898 SPBio_001529 CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M12 compound treatment 0.0089 0.00959 0.95 0.0027 0.00265 0.2 0.8106 0.8383 1068 SPBio_001530 CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(CN(C)C)o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M13 compound treatment -0.0121 -0.0114 -1.13 -0.0053 -0.00534 -0.4 -1.081 -0.9042 993 SPBio_001531 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M14 compound treatment 0.0029 0.00356 0.35 0.0027 0.00266 0.2 0.3902 0.9648 1180 SPBio_001532 Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M15 compound treatment -0.0061 -0.00544 -0.54 0.0077 0.00766 0.58 0.0296 0.0376 1073 SPBio_001533 CC(N)C(=O)NC(Cc1ccccc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M16 compound treatment -0.0011 -4.36E-4 -0.04 -0.0053 -0.00534 -0.4 -0.3156 -0.7781 998 SPBio_001534 CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M17 compound treatment -0.036 -0.0354 -3.49 -0.0244 -0.0244 -1.84 -3.769 -0.9555 1017 SPBio_001535 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M18 compound treatment 0.0049 0.00556 0.55 0.0106 0.0106 0.8 0.9557 0.9827 1094 SPBio_001536 COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M19 compound treatment 0.0059 0.00656 0.65 -3.0E-4 -3.45E-4 -0.03 0.4394 0.6781 1034 SPBio_001537 CC(=O)N[C@@H](CCC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M20 compound treatment 0.0059 0.00656 0.65 0.0116 0.0116 0.88 1.0791 0.9887 887 SPBio_001538 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M21 compound treatment 0.0069 0.00756 0.75 0.0097 0.00966 0.73 1.043 0.9999 1523 SPBio_001539 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M22 compound treatment -0.0041 -0.00344 -0.34 0.0016 0.00164 0.12 -0.1525 -0.4222 1102 SPBio_001540 CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M23 mock treatment 0.023 0.0236 2.33 -3.0E-4 -3.45E-4 -0.03 1.627 0.6991 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 M24 mock treatment 0.0049 0.00556 0.55 0.0057 0.00566 0.43 0.6899 0.9924 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N01 mock treatment 0.012 0.0126 1.24 0.0156 0.0156 1.18 1.7132 0.9997 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N02 mock treatment -0.0051 -0.00444 -0.44 0.0037 0.00366 0.28 -0.1141 -0.2206 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N03 compound treatment 0.008 0.00859 0.85 0.0017 0.00166 0.13 0.6877 0.8028 3054980 SPBio_001541 Nc1ncnc2n(cnc12)C3C[C@H](O)[C@@H](CO)O3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N04 compound treatment -0.025 -0.0244 -2.41 -0.0144 -0.0144 -1.08 -2.469 -0.9351 3174610 SPBio_001542 COc1cc(cc(OC)c1OC)C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5[C@@]3(C[C@@]6(O)[C@@H]7CN8C[C@@H](C)CC[C@H]8[C@@](C)(O)[C@@]7(O)[C@@H](O)C[C@@]56O)O[C@@]42O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N05 compound treatment 9.0E-4 0.00156 0.15 0.0057 0.00566 0.43 0.4111 0.9051 2060304 SPBio_001543 OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N06 compound treatment 0.0039 0.00456 0.45 0.0116 0.0116 0.88 0.9396 0.9517 882 SPBio_001544 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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N07 compound treatment 0.0069 0.00759 0.75 0.0066 0.00664 0.5 0.8838 0.9809 2060308 SPBio_001545 C/C(=C/C(=O)O)/C=C/C1(O)C(=CC(=O)CC1(C)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N08 compound treatment -1.0E-4 5.61E-4 0.06 0.0066 0.00664 0.5 0.3935 0.7804 3198436 SPBio_001546 CO[C@H]1CC(O[C@H]/2[C@@H](C)\C=C\C=C\3/CO[C@@H]4\C(=N/O)\C(=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@@]6(CC[C@H](C)[C@H](O6)C7CCCCC7)C5)[C@@]43O)C)O[C@@H](C)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N09 compound treatment 0.012 0.0126 1.24 0.0126 0.0126 0.95 1.5528 0.9915 1039 SPBio_001547 CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N10 compound treatment -0.0221 -0.0214 -2.11 -0.0113 -0.0113 -0.86 -2.0988 -0.921 1389 SPBio_001548 CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N11 compound treatment 0.0159 0.0166 1.64 0.0176 0.0176 1.33 2.0988 0.9948 1583 SPBio_001549 COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N12 compound treatment 0.0089 0.00959 0.95 0.0027 0.00266 0.2 0.8109 0.8385 3174609 SPBio_001550 CC(C)c1c(C(=O)c2ccccc2)c(c(c3ccc(F)cc3)n1CC[C@@H](O)C[C@@H](O)CC(=O)O)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N13 compound treatment 0.01 0.0106 1.04 -3.0E-4 -3.45E-4 -0.03 0.7202 0.6892 1010348 SPBio_001551 OC1=CC(=O)c2ccccc2C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N14 compound treatment 0.0049 0.00556 0.55 0.0027 0.00266 0.2 0.5297 0.907 3172973 SPBio_001552 COC(=O)[C@@]1(O)OC[C@]2(C3[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)C56O[C@@]6(C)[C@H]7C[C@@H]5OC8OC=C[C@]78O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N15 compound treatment 0.0099 0.0106 1.04 -0.0053 -0.00534 -0.4 0.4515 0.4042 3054057 SPBio_001553 CC(=CCC/C(=C/CCC(C)(O)C=C)/C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N16 compound treatment 0.0019 0.00256 0.25 -3.0E-4 -3.42E-4 -0.03 0.1603 0.6315 1520 SPBio_001554 CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N17 compound treatment 0.019 0.0196 1.94 0.0126 0.0126 0.95 2.0446 0.9468 1002002 SPBio_001555 O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N18 compound treatment -1.0E-4 5.61E-4 0.06 0.0057 0.00566 0.43 0.3412 0.792 1457 SPBio_001556 CC(=O)OCC(=O)[C@]12OC3(CCCC3)O[C@@H]2CC4C5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]41C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N19 compound treatment 0.0029 0.00356 0.35 -0.0023 -0.00234 -0.18 0.1233 0.3136 797 SPBio_001557 CC[C@]1(CC[C@@H](O1)[C@]2(C)CCC3(C[C@H](O)[C@@H](C)[C@H](O3)[C@H](C)[C@@H](OC)[C@H](C)C(=O)O)O2)C4O[C@H](C[C@@H]4C)C5O[C@@](O)(CC)[C@H](C)C[C@@H]5C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N20 compound treatment 0.0089 0.00956 0.94 -0.0033 -0.00334 -0.25 0.4884 0.5003 1357 SPBio_001558 CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N21 compound treatment 0.011 0.0116 1.14 7.0E-4 6.55E-4 0.05 0.8434 0.737 1000111 SPBio_001559 OC(=O)CCCCC1SCC2NC(=O)NC12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N22 compound treatment 0.0069 0.00756 0.75 -0.0043 -0.00434 -0.33 0.2958 0.3629 864 SPBio_001560 Oc1noc2CNCCc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N23 mock treatment 0.0069 0.00756 0.75 0.0057 0.00566 0.43 0.8297 0.965 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 N24 mock treatment 0.017 0.0176 1.74 -0.0013 -0.00134 -0.1 1.1553 0.6647 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O01 mock treatment -0.0021 -0.00144 -0.14 -0.0033 -0.00334 -0.25 -0.2786 -0.9628 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O02 mock treatment 0.0039 0.00456 0.45 -0.0023 -0.00234 -0.18 0.1931 0.3994 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O03 compound treatment -0.035 -0.0344 -3.39 -0.0354 -0.0354 -2.67 -4.2878 -0.9929 1407 SPBio_001561 NC(COCc1ccccc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O04 compound treatment 0.0029 0.00356 0.35 0.0037 0.00366 0.28 0.4437 0.9929 1237 SPBio_001562 CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O05 compound treatment -0.0091 -0.00844 -0.83 -0.0013 -0.00134 -0.1 -0.6603 -0.7874 1026 SPBio_001563 CC(=O)NC(Cc1ccccc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O06 compound treatment -0.0011 -4.41E-4 -0.04 0.0027 0.00266 0.2 0.1112 0.5414 821 SPBio_001564 O=C1NS(=O)(=O)c2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O07 compound treatment 0.005 0.00559 0.55 -0.0033 -0.00334 -0.25 0.2116 0.3489 987 SPBio_001565 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O08 compound treatment 0.001 0.00164 0.16 -0.0033 -0.00334 -0.25 -0.064 -0.2134 1122 SPBio_001566 N(=Nc1ccccc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O09 compound treatment -0.0051 -0.00444 -0.44 -0.0073 -0.00734 -0.55 -0.7016 -0.9932 874 SPBio_001567 CC(C)CC(NC(=O)CCN)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O10 compound treatment -0.0041 -0.00344 -0.34 -0.0043 -0.00434 -0.33 -0.4714 -0.9999 738 SPBio_001568 CC(=O)Nc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O11 compound treatment -0.0011 -4.36E-4 -0.04 -0.0074 -0.00736 -0.56 -0.4234 -0.7596 2060457 SPBio_001569 COc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O12 compound treatment -0.018 -0.0174 -1.72 -0.0124 -0.0124 -0.93 -1.8739 -0.9593 684 SPBio_001570 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]3OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O13 compound treatment -0.0031 -0.00244 -0.24 7.0E-4 6.59E-4 0.05 -0.135 -0.5493 1006104 SPBio_001571 Cc1cc(=O)oc2cc(O)cc(O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O14 compound treatment -0.0051 -0.00444 -0.44 -0.0023 -0.00234 -0.18 -0.4346 -0.9204 3059431 SPBio_001572 CCC(=O)O[C@H]1CCC2C3CCc4cc(O)ccc4C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O15 compound treatment -0.0051 -0.00444 -0.44 -0.0013 -0.00134 -0.1 -0.3812 -0.8482 2060475 SPBio_001573 COc1cc(OC)c2C(=O)CC(Oc2c1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O16 compound treatment -1.0E-4 5.61E-4 0.06 0.0037 0.00366 0.28 0.2344 0.8322 813 SPBio_001574 CC(=O)O[C@H]1CCC2C3CCc4cc(OC(=O)C)ccc4C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O17 compound treatment 0.005 0.00564 0.56 0.0017 0.00166 0.13 0.4819 0.8451 2060277 SPBio_001575 COc1cccc2c(=O)c(OC)c(oc12)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O18 compound treatment -1.0E-4 5.61E-4 0.06 -0.0474 -0.0474 -3.58 -2.4906 -0.6961 3177458 SPBio_001576 CC(=O)Oc1ccc2C3CC[C@@]4(C)C(CCC4=O)C3CCc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O19 compound treatment -1.0E-4 5.61E-4 0.06 7.0E-4 6.59E-4 0.05 0.0743 0.9986 1554635 SPBio_001577 COc1cc(OC)c2c(=O)cc(oc2c1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O20 compound treatment 0.0049 0.00556 0.55 -3.0E-4 -3.42E-4 -0.03 0.3696 0.6731 773 SPBio_001578 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O21 compound treatment 0.0059 0.00656 0.65 -0.0013 -0.00134 -0.1 0.3862 0.5893 724 SPBio_001579 CCn1cc(C(=O)O)c(=O)c2ccc(C)nc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O22 compound treatment 0.092 0.0926 9.14 0.0896 0.0896 6.76 11.2447 0.989 782 SPBio_001580 CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@@]2(O1)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O23 mock treatment -1.0E-4 5.6E-4 0.06 -0.0043 -0.00434 -0.33 -0.1927 -0.5798 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 O24 mock treatment -0.0021 -0.00144 -0.14 0.0027 0.00266 0.2 0.0416 0.169 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P01 mock treatment -0.0031 -0.00244 -0.24 -0.0043 -0.00434 -0.33 -0.4017 -0.9884 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P02 mock treatment 0.0029 0.00356 0.35 0.0027 0.00266 0.2 0.3902 0.9647 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P03 compound treatment -0.0011 -4.39E-4 -0.04 0.0017 0.00166 0.13 0.0579 0.4368 1255 SPBio_001581 NC(=O)c1ccc(cc1Cl)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P04 compound treatment -0.0061 -0.00544 -0.54 0.0017 0.00166 0.13 -0.2908 -0.5279 1419 SPBio_001582 NCCSSCCN 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P05 compound treatment 0.0029 0.00356 0.35 -0.0023 -0.00235 -0.18 0.1231 0.3129 1263 SPBio_001583 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P06 compound treatment -0.032 -0.0314 -3.09 -0.0274 -0.0274 -2.07 -3.6501 -0.9809 1524 SPBio_001584 CC(C)Nc1c(C)n(C)n(c2ccccc2)c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P07 compound treatment 0.0019 0.00256 0.25 0.0017 0.00166 0.13 0.2671 0.9476 1424 SPBio_001585 CCCC(=O)Nc1ncnc2n(cnc12)C3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3OC(=O)CCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P08 compound treatment -0.0021 -0.00144 -0.14 -0.0053 -0.00534 -0.4 -0.3854 -0.9015 1452 SPBio_001586 CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P09 compound treatment -0.0041 -0.00344 -0.34 -0.0033 -0.00334 -0.25 -0.4183 -0.9894 1246 SPBio_001587 CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P10 compound treatment -0.029 -0.0284 -2.8 -0.028 -0.028 -2.11 -3.4729 -0.9905 1493 SPBio_001588 CCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)C(=O)CCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P11 compound treatment -0.0101 -0.00944 -0.93 -0.0023 -0.00235 -0.18 -0.7836 -0.8268 1299 SPBio_001589 Nc1ccc(cc1)C(=O)NCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P12 compound treatment -0.0021 -0.00144 -0.14 -0.0023 -0.00234 -0.18 -0.2254 -0.9941 1526 SPBio_001590 CC1CCCC(C)N1NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P13 compound treatment 0.005 0.00559 0.55 0.0046 0.00464 0.35 0.6375 0.976 1387 SPBio_001591 OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P14 compound treatment -0.0011 -4.36E-4 -0.04 0.0087 0.00866 0.65 0.4318 0.6591 1431 SPBio_001592 Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P15 compound treatment -0.0041 -0.00344 -0.34 0.0017 0.00166 0.13 -0.1511 -0.4182 872 SPBio_001593 CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P16 compound treatment -0.0041 -0.00344 -0.34 0.0057 0.00566 0.43 0.0624 0.1145 3045655 SPBio_001594 CC(=O)[C@@]1(O)CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P17 compound treatment 0.001 0.00164 0.16 0.0036 0.0036 0.27 0.3065 0.9694 701 SPBio_001595 Nc1c(Br)cc(Br)cc1CNC2CCC(O)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P18 compound treatment 0.0059 0.00656 0.65 -0.0033 -0.00334 -0.25 0.2792 0.4019 3172846 SPBio_001596 NC(CO)(CO)CO.OC(=O)C1CCn2c(ccc12)C(=O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P19 compound treatment -0.0031 -0.00244 -0.24 -0.0053 -0.00534 -0.4 -0.4553 -0.9695 3174106 SPBio_001597 CN(C)CCCO[C@H]1[C@H](OC2OC(C)(C)O[C@H]12)C(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P20 compound treatment -0.0101 -0.00944 -0.93 -0.0083 -0.00834 -0.63 -1.1037 -0.9819 1453 SPBio_001598 CN1CCCN=C1/C=C/c2sccc2C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P21 compound treatment -0.0391 -0.0384 -3.79 -0.0404 -0.0404 -3.05 -4.8337 -0.9942 818 SPBio_001599 CCC1(CC)C(=O)NC=CC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P22 compound treatment -0.0011 -4.41E-4 -0.04 -0.0063 -0.00634 -0.48 -0.3693 -0.7681 1461 SPBio_001600 CN1CCCN=C1COC(=O)C(O)(C2CCCCC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P23 mock treatment -1.0E-4 5.61E-4 0.06 0.0067 0.00666 0.5 0.3945 0.7802 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2162 P24 mock treatment -0.0071 -0.00644 -0.63 0.0027 0.00266 0.2 -0.307 -0.4611 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A01 mock treatment -0.0058 -0.00551 -0.54 0.0017 0.00173 0.13 -0.2916 -0.5219 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A02 mock treatment -0.0058 -0.00551 -0.54 -0.0062 -0.00624 -0.47 -0.7174 -0.9975 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A03 compound treatment -0.0178 -0.0175 -1.73 -0.0152 -0.0152 -1.15 -2.0341 -0.9806 3045683 SPBio_001601 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A04 compound treatment 2.0E-4 4.84E-4 0.05 -0.0042 -0.0042 -0.32 -0.1907 -0.5941 3177591 SPBio_001602 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A05 compound treatment -0.0058 -0.00551 -0.54 -0.0043 -0.00426 -0.32 -0.6118 -0.9688 1465 SPBio_001603 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A06 compound treatment -0.0018 -0.00151 -0.15 -0.0033 -0.00326 -0.25 -0.2796 -0.971 2475 SPBio_001604 CC(=CC1C(C(=O)O)C1(C)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A07 compound treatment -0.0018 -0.00151 -0.15 -0.0102 -0.0102 -0.77 -0.652 -0.828 1489 SPBio_001605 CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A08 compound treatment -0.0108 -0.0105 -1.04 -0.0043 -0.00426 -0.32 -0.96 -0.8851 1013144 SPBio_001606 O=C1OC(=O)C2C3CCC(O3)C21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A09 compound treatment -0.0128 -0.0125 -1.24 -0.0072 -0.00722 -0.55 -1.2593 -0.9324 1459 SPBio_001607 OC1CCN(CCCN2c3ccccc3Sc4ccc(C#N)cc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A10 compound treatment 2.0E-4 4.88E-4 0.05 -0.0053 -0.00527 -0.4 -0.2472 -0.6171 3059791 SPBio_001608 Nc1nc(cs1)/C(=C/CC(=O)O)/C(=O)N[C@H]2[C@H]3SCC=C(N3C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A11 compound treatment -0.0058 -0.00551 -0.54 7.0E-4 7.36E-4 0.06 -0.3448 -0.6314 1495 SPBio_001609 OC(=O)CCCCC1CCSS1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A12 compound treatment 0.0022 0.0025 0.25 0.0088 0.00876 0.66 0.6421 0.9098 3059465 SPBio_001610 Nc1nc(cs1)/C(=N/O)/C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A13 compound treatment -0.0068 -0.00651 -0.64 -0.0053 -0.00526 -0.4 -0.7348 -0.9734 1317 SPBio_001611 Fc1ccc(cc1)C(c2ccccc2)(c3ccccc3F)n4ccnc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A14 compound treatment -0.0168 -0.0165 -1.63 -0.0042 -0.00422 -0.32 -1.3782 -0.8297 3480112 SPBio_001612 CC(C)CC(N(C)C)C1(CCC1)c2ccc(Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A15 compound treatment -0.0058 -0.00551 -0.54 -0.0033 -0.00327 -0.25 -0.5588 -0.9361 1605 SPBio_001613 OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A16 compound treatment -0.0108 -0.0105 -1.04 -0.0083 -0.00826 -0.62 -1.1735 -0.9706 3079224 SPBio_001614 COC1=C(O)C(=O)c2c(O)c3c(O)c(oc3cc2C1=O)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A17 compound treatment -0.0028 -0.00251 -0.25 -0.0043 -0.00426 -0.32 -0.4024 -0.9915 839435 SPBio_001615 NCCCCNC(=N)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A18 compound treatment -0.0078 -0.00751 -0.74 -0.0093 -0.00926 -0.7 -1.0181 -0.9996 3079225 SPBio_001616 OC(=O)CCC1NCC2CC1CN3CCCCC23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A19 compound treatment -0.0028 -0.00251 -0.25 0.0017 0.00173 0.13 -0.0823 -0.2944 3250 SPBio_001617 CCCCCCCCCCCCCCCCCCOCC(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A20 compound treatment -0.0348 -0.0345 -3.4 -0.0342 -0.0342 -2.59 -4.2341 -0.9908 1592184 SPBio_001618 O=C1CCCC2C3CC(CN21)[C@@H]4CCCCN4C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A21 compound treatment -0.0058 -0.00551 -0.54 -3.0E-4 -2.64E-4 -0.02 -0.3981 -0.7325 1537011 SPBio_001619 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A22 compound treatment 0.0032 0.00349 0.34 -3.0E-4 -2.64E-4 -0.02 0.2293 0.6651 3079226 SPBio_001620 C1CN2Cc3ccccc3N=C2C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A23 mock treatment 0.0022 0.00249 0.25 -3.0E-4 -2.64E-4 -0.02 0.1597 0.6477 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 A24 mock treatment -8.0E-4 -5.12E-4 -0.05 -0.0043 -0.00426 -0.32 -0.2633 -0.8082 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B01 mock treatment -0.0098 -0.0095 -0.94 -0.0083 -0.00826 -0.62 -1.1035 -0.9805 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B02 mock treatment -0.0088 -0.0085 -0.84 -0.0033 -0.00326 -0.25 -0.7668 -0.8778 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B03 compound treatment -0.0028 -0.00251 -0.25 -0.0033 -0.00326 -0.25 -0.349 -1.0 2060222 SPBio_001621 C/C/1=C\CCC(=O)C2CC(C)(C)C2CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B04 compound treatment -0.0038 -0.00351 -0.35 0.0017 0.00173 0.13 -0.1524 -0.4116 2515 SPBio_001622 CCCCCCC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B05 compound treatment -0.0078 -0.00753 -0.74 -0.0103 -0.0103 -0.77 -1.0729 -0.9998 1099943 SPBio_001623 COc1c2C=CC(C)(C)Oc2c(CC=C(C)C)c3oc(=O)c(c(O)c13)c4ccc(O)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B06 compound treatment -0.0078 -0.00751 -0.74 -0.0192 -0.0192 -1.45 -1.5509 -0.9511 2517 SPBio_001624 CC(C)N(C(=O)CCl)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B07 compound treatment -0.0058 -0.00551 -0.54 -0.0053 -0.00527 -0.4 -0.6654 -0.9882 2060382 SPBio_001625 C/C/1=C\CC(C)(C)\C=C\CC2(C)OC2CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B08 compound treatment -0.0038 -0.00351 -0.35 -0.0083 -0.00826 -0.62 -0.686 -0.9614 2518 SPBio_001626 CCCCSP(=O)(SCCCC)SCCCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B09 compound treatment -0.0028 -0.00251 -0.25 -0.0092 -0.00924 -0.7 -0.6683 -0.9026 1981222 SPBio_001627 CCN1CCN(C(=O)NC(C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B10 compound treatment -0.0028 -0.00251 -0.25 -3.0E-4 -2.7E-4 -0.02 -0.1892 -0.7627 2519 SPBio_001628 CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B11 compound treatment -0.0028 -0.00251 -0.25 -0.0053 -0.00527 -0.4 -0.456 -0.9738 3174236 SPBio_001629 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c4c(=O)c(O)cc(cc34)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B12 compound treatment 0.0032 0.00348 0.34 -0.0063 -0.00626 -0.47 -0.0914 -0.1563 2479 SPBio_001630 CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B13 compound treatment -0.0148 -0.0145 -1.43 -0.0093 -0.00926 -0.7 -1.5056 -0.9459 2060221 SPBio_001631 COc1ccc(cc1)[C@H]2Oc3cc(OC)cc(OC)c3C[C@H]2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B14 compound treatment -0.0058 -0.00551 -0.54 -0.0023 -0.00226 -0.17 -0.5049 -0.8867 2480 SPBio_001632 COP(=S)(OC)SCn1nnc2ccccc2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B15 compound treatment -0.0158 -0.0155 -1.53 -0.0152 -0.0152 -1.15 -1.8956 -0.99 2060258 SPBio_001633 CC(=O)O[C@H]1Cc2c(OC(=O)C)cc(OC(=O)C)cc2O[C@@H]1c3ccc(OC(=O)C)c(OC(=O)C)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B16 compound treatment 2.0E-4 4.88E-4 0.05 0.0057 0.00573 0.43 0.34 0.7809 2513 SPBio_001634 OC(=O)CNCP(=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B17 compound treatment -0.0108 -0.0105 -1.04 -0.0043 -0.00426 -0.32 -0.96 -0.8851 2060256 SPBio_001635 CC(=CC1C(CO)C1(C)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B18 compound treatment -0.1345 -0.134 -13.24 -0.1513 -0.151 -11.43 -17.4396 -0.9973 2514 SPBio_001636 CCCCCCC(C)OC(=O)COc1ccc(Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B19 compound treatment -0.0088 -0.00852 -0.84 -0.0082 -0.0082 -0.62 -1.0319 -0.9888 1952709 SPBio_001637 COc1ccc2c(C)cc(=O)oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B20 compound treatment 0.0332 0.0335 3.3 0.0358 0.0358 2.7 4.2464 0.995 2478 SPBio_001638 COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B21 compound treatment -0.0128 -0.0125 -1.23 -0.0112 -0.0112 -0.85 -1.4721 -0.9834 1000110 SPBio_001639 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B22 compound treatment 0.0082 0.00849 0.84 0.0128 0.0128 0.96 1.2734 0.9976 2512 SPBio_001640 COC(=O)COc1cc(Cl)c(Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B23 mock treatment -0.0078 -0.00751 -0.74 -0.0063 -0.00627 -0.47 -0.8584 -0.9765 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 B24 mock treatment -0.0118 -0.0115 -1.13 7.0E-4 7.34E-4 0.06 -0.7634 -0.6718 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C01 mock treatment 0.0032 0.00349 0.34 -3.0E-4 -2.64E-4 -0.02 0.2293 0.6651 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C02 mock treatment 0.0022 0.00249 0.25 0.0037 0.00373 0.28 0.373 0.9977 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C03 compound treatment 0.0102 0.0105 1.04 0.0017 0.00173 0.13 0.8245 0.7903 3172723 SPBio_001641 CC(=O)OC[C@@]1(O)C[C@@]2(C[C@H]1CCC23)CCC4c5ccoc5CC[C@@]43C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C04 compound treatment 0.0032 0.00349 0.34 0.0057 0.00574 0.43 0.5499 0.9936 3198437 SPBio_001642 C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@H]1OC([C@H](O)[C@@H]1O)n2ccc(N)nc2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C05 compound treatment 0.0062 0.00649 0.64 0.0027 0.00273 0.21 0.5986 0.89 1978 SPBio_001643 OC(=O)/C=C/c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C06 compound treatment -0.0018 -0.00151 -0.15 -0.0023 -0.00227 -0.17 -0.2264 -0.9976 3079227 SPBio_001644 [O-][N+](=O)/N=C/1\NCCN1Cc2ccc(Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C07 compound treatment -0.0088 -0.00851 -0.84 -0.0072 -0.00724 -0.55 -0.98 -0.9785 2060330 SPBio_001645 OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C08 compound treatment -8.0E-4 -5.06E-4 -0.05 0.0037 0.00374 0.28 0.1641 0.573 3079228 SPBio_001646 CCNC(=O)CC[C@H](N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C09 compound treatment 0.0032 0.00348 0.34 0.0017 0.00174 0.13 0.3357 0.9127 2060332 SPBio_001647 OC/C=C/c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C10 compound treatment 0.0072 0.00749 0.74 -0.0023 -0.00227 -0.17 0.4016 0.5293 3076175 SPBio_001648 COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C11 compound treatment -0.0028 -0.00251 -0.25 7.0E-4 7.36E-4 0.06 -0.1355 -0.5347 907149 SPBio_001649 CN(C)c1nc(N)c(nc1Cl)C(=O)NC(=N)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C12 compound treatment 0.0052 0.0055 0.54 0.0067 0.00673 0.51 0.7433 0.9995 3198531 SPBio_001650 COc1ccc(cc1)c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C13 compound treatment -0.0038 -0.00351 -0.35 -0.0023 -0.00226 -0.17 -0.3654 -0.9472 1316 SPBio_001651 CC(C)(C)NCC(O)c1ccccc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C14 compound treatment -0.0028 -0.00251 -0.25 -0.0013 -0.00127 -0.1 -0.2424 -0.9145 1672 SPBio_001652 OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C15 compound treatment 0.0082 0.00849 0.84 0.0198 0.0198 1.49 1.6471 0.9628 2060337 SPBio_001653 COc1ccc(cc1O)c2oc3cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C16 compound treatment -8.0E-4 -5.06E-4 -0.05 -0.0053 -0.00526 -0.4 -0.3163 -0.7898 1045397 SPBio_001654 COc1ccc(cc1OC)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C17 compound treatment 0.0072 0.00749 0.74 0.0077 0.00774 0.58 0.9357 0.9932 2060338 SPBio_001655 CC(C)c1ccc2c(CC[C@H]3C4=C(CC[C@@]32C)C(=O)OC4)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C18 compound treatment 0.0012 0.00149 0.15 -0.0083 -0.00827 -0.62 -0.3375 -0.5263 1034727 SPBio_001656 COc1ccc(cc1)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C19 compound treatment 0.0032 0.0035 0.35 0.0027 0.00274 0.21 0.3905 0.9697 2060340 SPBio_001657 CC(=O)/C(=C\c1ccccc1)/CC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C20 compound treatment 0.0012 0.00149 0.15 -0.0013 -0.00126 -0.1 0.0367 0.2092 351 SPBio_001658 CC(C)NCC(O)COc1cccc2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C21 compound treatment 0.0042 0.00449 0.44 0.0057 0.00574 0.43 0.6194 0.9999 1020994 SPBio_001659 COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C22 compound treatment 0.0032 0.00349 0.34 0.0047 0.00473 0.36 0.4963 0.9998 2660 SPBio_001660 CCN(C(=O)/C=C/C)c1ccccc1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C23 mock treatment 0.0032 0.00349 0.34 0.0047 0.00474 0.36 0.4964 0.9998 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 C24 mock treatment 0.0042 0.00449 0.44 -0.0023 -0.00226 -0.17 0.1926 0.4054 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D01 mock treatment -0.0028 -0.00251 -0.25 -0.0043 -0.00426 -0.32 -0.4027 -0.9916 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D02 mock treatment 2.0E-4 4.94E-4 0.05 0.0027 0.00273 0.21 0.1803 0.8506 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D03 compound treatment 0.0022 0.00249 0.25 0.0017 0.00173 0.13 0.2661 0.9565 2060195 SPBio_001661 CC1(C)CC23C1CCC3(C)C(O)CCC2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D04 compound treatment 0.0032 0.00349 0.34 -0.0033 -0.00326 -0.25 0.0695 0.164 2510 SPBio_001662 COC(=O)COc1ccc(Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D05 compound treatment -0.0088 -0.00851 -0.84 -0.0102 -0.0102 -0.77 -1.1404 -0.9992 2060197 SPBio_001663 COC1(C)CCC2OC2(C)CCC3C1CC3(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D06 compound treatment -0.0028 -0.00252 -0.25 8.0E-4 7.96E-4 0.06 -0.133 -0.5208 2511 SPBio_001664 COC(=O)CCCOc1ccc(Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D07 compound treatment -0.0038 -0.00351 -0.35 -0.0053 -0.00527 -0.4 -0.5258 -0.9976 2069257 SPBio_001665 CC1(C)CC2C1CCC(=C)C(O)CCC2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D08 compound treatment 0.0042 0.00449 0.44 -0.0013 -0.00126 -0.1 0.246 0.5425 2509 SPBio_001666 CCc1cccc(CC)c1N(COC)C(=O)CCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D09 compound treatment -0.0138 -0.0135 -1.33 -0.0013 -0.00126 -0.1 -1.0095 -0.7558 2060199 SPBio_001667 CC1(C)CC2C1CCC3(C)OC2(C)CCC3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D10 compound treatment -0.0048 -0.00451 -0.44 -0.0063 -0.00627 -0.47 -0.6489 -0.9995 2507 SPBio_001668 OC(=O)CCCOc1ccc(Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D11 compound treatment 0.0022 0.00249 0.25 7.0E-4 7.36E-4 0.06 0.2131 0.8457 2060200 SPBio_001669 CC12CCC3C(CC3(C)C)C(C)(O)CCC2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D12 compound treatment 2.0E-4 4.84E-4 0.05 -0.0013 -0.00126 -0.1 -0.0337 -0.3162 2506 SPBio_001670 OC(=O)COc1ccc(Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D13 compound treatment -8.0E-4 -5.06E-4 -0.05 0.0037 0.00373 0.28 0.1639 0.5728 2060202 SPBio_001671 CC1(C)CC2C1CCC3(C)OC2(C)CCC3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D14 compound treatment 0.0012 0.00149 0.15 0.0027 0.00273 0.21 0.25 0.9864 2481 SPBio_001672 CCOP(=S)(OCC)SCCSCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D15 compound treatment -0.0068 -0.00651 -0.64 -0.0053 -0.00527 -0.4 -0.735 -0.9735 2060204 SPBio_001673 CC(=O)OC1CC(C)(C)C2CCC3(C)CC12CCC3OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D16 compound treatment 0.0032 0.00349 0.34 0.0107 0.0107 0.81 0.8165 0.9272 2482 SPBio_001674 CCOC(=O)/C=C(\C)/OP(=O)(OC)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D17 compound treatment 0.0032 0.00349 0.34 0.0047 0.00474 0.36 0.4965 0.9998 2060219 SPBio_001675 CC(=O)OC/1CCC(=C)[C@H]2CC(C)(C)[C@@H]2C\C=C1/C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D18 compound treatment -8.0E-4 -5.1E-4 -0.05 -3.0E-4 -2.64E-4 -0.02 -0.0497 -0.9175 2483 SPBio_001676 COP(=O)(OC)OC(Br)C(Cl)(Cl)Br 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D19 compound treatment 0.0062 0.0065 0.64 -0.0022 -0.0022 -0.17 0.336 0.507 2060264 SPBio_001677 C[C@@H]1CC[C@]2(CCC3(C)[C@]4(OC2=O)C=CC5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@]53C)C4[C@H]1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D20 compound treatment 0.0042 0.00449 0.44 0.0037 0.00374 0.28 0.5129 0.9762 2485 SPBio_001678 CCS(=O)CCSP(=O)(OC)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D21 compound treatment -0.0078 -0.00752 -0.74 -0.0022 -0.0022 -0.17 -0.6419 -0.8448 2060266 SPBio_001679 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D22 compound treatment -0.0058 -0.00552 -0.54 -0.0102 -0.0102 -0.77 -0.9295 -0.9855 2490 SPBio_001680 CCOP(=S)(OCC)SCSCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D23 mock treatment 0.0032 0.00349 0.34 0.0077 0.00774 0.58 0.6564 0.9682 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 D24 mock treatment 2.0E-4 4.94E-4 0.05 0.0027 0.00274 0.21 0.1805 0.8505 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E01 mock treatment 0.0032 0.00349 0.34 0.0027 0.00273 0.21 0.3893 0.97 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E02 mock treatment 0.0022 0.00249 0.25 7.0E-4 7.3E-4 0.06 0.2126 0.8449 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E03 compound treatment 0.0022 0.00249 0.25 7.0E-4 7.34E-4 0.06 0.213 0.8454 3172852 SPBio_001681 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@]43C)C2C1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E04 compound treatment -0.0098 -0.00951 -0.94 -0.0112 -0.0112 -0.85 -1.2623 -0.9987 3079229 SPBio_001682 CC1(C)C2CC(O)C(C)(O)CC21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E05 compound treatment -0.0018 -0.00151 -0.15 0.0017 0.00173 0.13 -0.0128 -0.0643 3172853 SPBio_001683 C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@@H](O)COC2O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)CC[C@@]7(CC[C@]65C)C(=O)O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E06 compound treatment -0.0028 -0.00251 -0.25 -0.0013 -0.00127 -0.1 -0.2426 -0.9149 1053060 SPBio_001684 COc1ccc(cc1OC)c2oc3ccccc3c(=O)c2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E07 compound treatment -0.0058 -0.00553 -0.55 -3.0E-4 -2.64E-4 -0.02 -0.3995 -0.7324 2060345 SPBio_001685 C[C@@H]1OC(O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CCC(C)(C)CC5C6=CCC7[C@@]8(C)CC[C@H](OC9OC[C@H](O)[C@H](O)[C@H]9OC%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E08 compound treatment 2.0E-4 4.94E-4 0.05 -0.0043 -0.00427 -0.32 -0.1933 -0.5934 1864491 SPBio_001686 COc1ccc(cc1)c2coc3cc(OC)cc(OC)c3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E09 compound treatment -0.0098 -0.00953 -0.94 -0.0202 -0.0202 -1.53 -1.7442 -0.9728 829 SPBio_001687 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E10 compound treatment -8.0E-4 -5.06E-4 -0.05 -3.0E-4 -2.64E-4 -0.02 -0.0494 -0.9186 3198532 SPBio_001688 COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E11 compound treatment -8.0E-4 -5.06E-4 -0.05 -0.0023 -0.00226 -0.17 -0.1562 -0.8771 1054504 SPBio_001689 COc1c(OCC(O)C(C)(C)O)ccc2c(OC)c3ccoc3nc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E12 compound treatment -0.0168 -0.0165 -1.63 -0.0122 -0.0122 -0.92 -1.8051 -0.9641 435 SPBio_001690 CC(C)Cn1c(=O)n(C)c(=O)c2nc[nH]c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E13 compound treatment -0.0048 -0.00451 -0.44 -0.0023 -0.00227 -0.17 -0.4356 -0.9139 1024517 SPBio_001691 COc1cc2CCNC(C)c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E14 compound treatment -0.0048 -0.00451 -0.44 -0.0033 -0.00326 -0.25 -0.4885 -0.9613 832325 SPBio_001692 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E15 compound treatment -0.0028 -0.00251 -0.25 -0.0102 -0.0102 -0.77 -0.7219 -0.8891 3079221 SPBio_001693 O=c1cccc2C3CC(Cn21)[C@@H]4CCCCN4C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E16 compound treatment -8.0E-4 -5.06E-4 -0.05 -3.0E-4 -2.64E-4 -0.02 -0.0494 -0.9186 1099044 SPBio_001694 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E17 compound treatment -0.0168 -0.0165 -1.63 -0.0192 -0.0192 -1.45 -2.1779 -0.9984 2060358 SPBio_001695 C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@]31CC[C@@](CO)(CCO)O3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E18 compound treatment -0.0228 -0.0225 -2.22 -0.0262 -0.0262 -1.98 -2.9701 -0.9984 3198533 SPBio_001696 CCc1c(C)c2=Cc3c(C=C)c(C)c4C=c5c(C)c(CCC(=O)O)c6=C7C(C(=O)O)C(=O)c8c(C)c9C=c1n2[Cu](n9c78)(n43)n56 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E19 compound treatment -0.0078 -0.00751 -0.74 -0.0073 -0.00726 -0.55 -0.9113 -0.9891 2060328 SPBio_001697 CC(C)CC(=O)c1c(O)c(C)c(O)c2c1oc3c(C(=O)CC(C)C)c(O)c(C)c(O)c32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E20 compound treatment 0.0012 0.00149 0.15 -0.0013 -0.00127 -0.1 0.0366 0.2086 1017318 SPBio_001698 NC(=O)c1ccc(N)nc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E21 compound treatment -0.0038 -0.00351 -0.35 -0.0172 -0.0172 -1.3 -1.1651 -0.865 2060307 SPBio_001699 COc1ccc2[C@@H](O)[C@H](Cc3ccc(OC)c(OC)c3)COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E22 compound treatment 0.0022 0.00249 0.25 0.0017 0.00173 0.13 0.2663 0.9564 2109 SPBio_001700 OCc1c[nH]c2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E23 mock treatment 0.0042 0.00449 0.44 7.0E-4 7.34E-4 0.06 0.3526 0.7894 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 E24 mock treatment -0.0028 -0.00251 -0.25 -0.0043 -0.00426 -0.32 -0.4024 -0.9915 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F01 mock treatment 0.0012 0.00149 0.15 -0.0053 -0.00527 -0.4 -0.1774 -0.4186 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F02 mock treatment -0.0028 -0.00251 -0.25 7.0E-4 7.34E-4 0.06 -0.1356 -0.5352 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F03 compound treatment 2.0E-4 4.94E-4 0.05 -0.0013 -0.00126 -0.1 -0.033 -0.3083 2060268 SPBio_001701 C[C@@H]1CC[C@]2(CCC3(C)[C@]4(OC2=O)C=CC5[C@@]6(C)CCC(=O)C(C)(C)C6CC[C@]53C)C4[C@H]1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F04 compound treatment -0.0038 -0.00352 -0.35 -0.0022 -0.0022 -0.17 -0.3629 -0.9434 2486 SPBio_001702 CNC(=O)CSP(=S)(OC)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F05 compound treatment -0.0018 -0.00151 -0.15 -0.0053 -0.00526 -0.4 -0.3863 -0.9103 2060270 SPBio_001703 CC(C)c1ccc2c(CCC3C(C)(CCCC32C)C(=O)N)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F06 compound treatment -0.0068 -0.00651 -0.64 -0.0023 -0.00227 -0.17 -0.575 -0.8653 2488 SPBio_001704 CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F07 compound treatment -0.0118 -0.0115 -1.13 -0.0073 -0.00727 -0.55 -1.1905 -0.9444 2060272 SPBio_001705 CC1CCC2C(CC2(C)C)C(=C)CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F08 compound treatment -0.0108 -0.0105 -1.04 -0.0152 -0.0152 -1.15 -1.5466 -0.9986 2489 SPBio_001706 COP(=O)(N)SC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F09 compound treatment -0.0058 -0.00551 -0.54 -0.0122 -0.0122 -0.92 -1.038 -0.9679 2060274 SPBio_001707 CC(C)C1CC=C(C)C2CC(=O)C(=CC12)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F10 compound treatment -0.0048 -0.00451 -0.44 0.0037 0.00373 0.28 -0.1151 -0.2186 3046265 SPBio_001708 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F11 compound treatment 0.0022 0.00249 0.25 0.0047 0.00474 0.36 0.4266 0.9833 3053888 SPBio_001709 CC(=CCC[C@](C)(OC(=O)C)C1CCC(=CC1)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F12 compound treatment -0.0058 -0.00551 -0.54 -0.0112 -0.0112 -0.85 -0.9843 -0.9767 2534 SPBio_001710 ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F13 compound treatment 0.0032 0.00349 0.34 -0.0063 -0.00626 -0.47 -0.0907 -0.155 3053889 SPBio_001711 C[C@@H]1CC[C@H]2C(C)(C)C3CC12CC[C@@]3(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F14 compound treatment -0.0028 -0.00251 -0.25 -3.0E-4 -2.64E-4 -0.02 -0.1892 -0.7615 1304 SPBio_001712 ClC1=C(Cl)C2(Cl)C3C4CC(C5OC54)C3C1(Cl)C2(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F15 compound treatment 0.0022 0.00249 0.25 -0.0212 -0.0212 -1.6 -0.9594 -0.5918 2069281 SPBio_001713 C[C@@]12CCC3C(CCc4cc(OC(=O)c5ccccc5)ccc34)C2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F16 compound treatment -0.0078 -0.0075 -0.74 -0.0072 -0.00724 -0.55 -0.9096 -0.989 2535 SPBio_001714 CC1(C)C(C(Cl)Cl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F17 compound treatment -8.0E-4 -5.06E-4 -0.05 -0.0043 -0.00426 -0.32 -0.2629 -0.8072 3053891 SPBio_001715 OC(=O)C/C(=C\C(=O)O)/C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F18 compound treatment 0.0032 0.00349 0.34 -0.0082 -0.00824 -0.62 -0.1964 -0.2761 2536 SPBio_001716 ClC1CC2C(C1Cl)C3(Cl)C(Cl)C(Cl)C2(Cl)C3(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F19 compound treatment -0.1105 -0.11 -10.87 -0.1233 -0.123 -9.31 -14.2706 -0.997 1045072 SPBio_001717 NC(CSCSCC(N)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F20 compound treatment -0.0273 -0.027 -2.66 -0.0519 -0.0519 -3.92 -4.6552 -0.9823 2520 SPBio_001718 Clc1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F21 compound treatment -0.0028 -0.00251 -0.25 -0.0023 -0.00227 -0.17 -0.296 -0.9837 3054971 SPBio_001719 O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F22 compound treatment -0.0648 -0.0645 -6.36 -0.0442 -0.0442 -3.34 -6.8607 -0.9548 2521 SPBio_001720 Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F23 mock treatment -0.0028 -0.00251 -0.25 -0.0013 -0.00127 -0.1 -0.2426 -0.9149 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 F24 mock treatment -0.0068 -0.00651 -0.64 7.0E-4 7.36E-4 0.06 -0.4146 -0.6435 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G01 mock treatment 0.0022 0.00249 0.25 -3.0E-4 -2.64E-4 -0.02 0.1596 0.6477 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G02 mock treatment 2.0E-4 4.94E-4 0.05 0.0027 0.00274 0.21 0.1805 0.8505 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G03 compound treatment -0.0088 -0.00851 -0.84 -0.0122 -0.0122 -0.92 -1.2459 -0.9989 3079222 SPBio_001721 CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(=O)C)c3c(=O)cc(oc3c2)c4ccc(OC(=O)C)cc4)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G04 compound treatment 0.0102 0.0105 1.03 0.0098 0.0098 0.74 1.2542 0.9865 122 SPBio_001722 C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G05 compound treatment 0.0032 0.00349 0.34 0.0047 0.00474 0.36 0.4965 0.9998 2060255 SPBio_001723 CC(=O)Oc1ccc(/C=C/c2cc(OC(=O)C)cc(OC(=O)C)c2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G06 compound treatment 0.0092 0.0095 0.94 0.0018 0.0018 0.14 0.7588 0.8011 1788 SPBio_001724 NC(=O)CS(=O)C(c1ccccc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G07 compound treatment 0.0022 0.00249 0.25 0.0038 0.00376 0.28 0.3745 0.9975 3054095 SPBio_001725 CCC(/C=C/[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G08 compound treatment -0.0028 -0.00251 -0.25 0.0017 0.00174 0.13 -0.0821 -0.2935 3304 SPBio_001726 Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G09 compound treatment -0.0198 -0.0195 -1.92 -0.0152 -0.0152 -1.15 -2.1736 -0.9699 3174115 SPBio_001727 CC[C@H](CCC(C)[C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G10 compound treatment -0.0068 -0.0065 -0.64 -3.0E-4 -2.64E-4 -0.02 -0.4672 -0.7287 3055363 SPBio_001728 COc1cc(/C=C/C(=C/C(=O)\C=C\c2ccc(O)c(OC)c2)/O)ccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G11 compound treatment -8.0E-4 -5.06E-4 -0.05 -0.0063 -0.00626 -0.47 -0.3697 -0.7775 2060290 SPBio_001729 C[C@@H]1OC(O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C5C6CC(C)(C)CC[C@@]6(C(O)C[C@]54C)C(=O)O[C@@H]7OC[C@H](O)[C@@H](O)[C@H]7OC8O[C@@H](C)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H]8O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G12 compound treatment 0.0062 0.00648 0.64 -0.0132 -0.0132 -1.0 -0.255 -0.2148 1912 SPBio_001730 [O-][N+](=O)c1cccc2cn[nH]c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G13 compound treatment 2.0E-4 4.94E-4 0.05 -0.0043 -0.00427 -0.32 -0.1934 -0.5935 3055472 SPBio_001731 CC(C)CCCC(C)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G14 compound treatment -0.0018 -0.00151 -0.15 -0.0043 -0.00426 -0.32 -0.3327 -0.9384 1003535 SPBio_001732 ONC(=O)Cc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G15 compound treatment 0.0012 0.00149 0.15 7.0E-4 7.36E-4 0.06 0.1434 0.9114 3055308 SPBio_001733 COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)C[C@@H]31 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G16 compound treatment 0.0052 0.00549 0.54 7.0E-4 7.32E-4 0.06 0.422 0.7753 2060198 SPBio_001734 COc1ccc2C=C3c4cc(OC)c(OC)cc4OCC3(O)Oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G17 compound treatment 0.0052 0.0055 0.54 0.0078 0.00776 0.59 0.7979 0.9993 2060301 SPBio_001735 COc1ccc(cc1O)c2cc(=O)c3c(O)cc(O)cc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G18 compound treatment 0.0052 0.00549 0.54 0.0198 0.0198 1.49 1.4376 0.906 3198534 SPBio_001736 OCC(O)CC(O)CCCCCCCCCCCC=C.OCC(O)CC(O)CCCCCCCCCCCC#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G19 compound treatment 0.0162 0.0165 1.63 0.0078 0.00776 0.59 1.5652 0.9047 1119359 SPBio_001737 COc1cc2ccc(=O)oc2c(O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G20 compound treatment -0.0018 -0.00151 -0.15 -0.0053 -0.00527 -0.4 -0.3862 -0.9099 3198535 SPBio_001738 CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)C[C@H](O)[C@]2(C)C3CC[C@]4(C)[C@@H](OC(=O)C=C4[C@]13C)c5ccoc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G21 compound treatment 0.0072 0.00749 0.74 0.0047 0.00474 0.36 0.7755 0.9445 3055306 SPBio_001739 C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]2[C@H]1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G22 compound treatment -0.0078 -0.0075 -0.74 0.0017 0.00173 0.13 -0.4304 -0.5731 734 SPBio_001740 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G23 mock treatment 2.0E-4 4.94E-4 0.05 -0.0043 -0.00426 -0.32 -0.1932 -0.5934 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 G24 mock treatment -0.0028 -0.00251 -0.25 -0.0013 -0.00127 -0.1 -0.2425 -0.9147 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H01 mock treatment -8.0E-4 -5.1E-4 -0.05 -0.0013 -0.00126 -0.1 -0.1031 -0.9554 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H02 mock treatment 0.0042 0.00449 0.44 0.0037 0.00373 0.28 0.5124 0.9762 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H03 compound treatment 0.0052 0.00549 0.54 -3.0E-4 -2.7E-4 -0.02 0.3688 0.6801 1007364 SPBio_001741 CCOC(=O)C1C(C=C(C)C)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H04 compound treatment -8.0E-4 -5.06E-4 -0.05 0.0087 0.00873 0.66 0.4309 0.6517 2522 SPBio_001742 CNC(=O)Oc1cccc2CC(C)(C)Oc21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H05 compound treatment -0.0088 -0.0085 -0.84 -0.0142 -0.0142 -1.08 -1.353 -0.9924 852250 SPBio_001743 C1CCC(NC1)c2cccnc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H06 compound treatment -0.0068 -0.00651 -0.64 -0.0143 -0.0143 -1.08 -1.2153 -0.9694 3172728 SPBio_001744 CNC(=O)O/N=C(/C)\SC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H07 compound treatment 0.0042 0.00449 0.44 0.0128 0.0128 0.96 0.9944 0.938 1610 SPBio_001745 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H08 compound treatment 0.0162 0.0165 1.63 0.0138 0.0138 1.04 1.8876 0.9767 2527 SPBio_001746 COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H09 compound treatment -0.0058 -0.00551 -0.54 -0.0112 -0.0112 -0.85 -0.9846 -0.9768 1014978 SPBio_001747 OCC(O)C(O)C(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H10 compound treatment 0.0072 0.00749 0.74 0.0037 0.00373 0.28 0.722 0.9127 2530 SPBio_001748 CCCSP(=O)(OCC)SCCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H11 compound treatment -0.0038 -0.00351 -0.35 -3.0E-4 -2.64E-4 -0.02 -0.2586 -0.7466 1003823 SPBio_001749 Cc1occc(=O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H12 compound treatment -8.0E-4 -5.06E-4 -0.05 -0.0023 -0.00227 -0.17 -0.1564 -0.8769 2532 SPBio_001750 CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H13 compound treatment -8.0E-4 -5.06E-4 -0.05 0.0027 0.00274 0.21 0.1108 0.5211 1052459 SPBio_001751 COc1c2ccoc2cc3oc(C)cc(=O)c13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H14 compound treatment 0.0042 0.00449 0.44 -0.0033 -0.00326 -0.25 0.1392 0.2745 2491 SPBio_001752 COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H15 compound treatment 0.0062 0.00649 0.64 0.0037 0.00374 0.28 0.6521 0.9322 2069297 SPBio_001753 CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H16 compound treatment 0.0022 0.00249 0.25 0.0067 0.00674 0.51 0.5335 0.9444 2492 SPBio_001754 CC(C)Nc1nc(Cl)nc(NC(C)C)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H17 compound treatment 0.0042 0.00449 0.44 0.0027 0.00274 0.21 0.4595 0.9396 470 SPBio_001755 OC(=O)CCCc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H18 compound treatment -0.0028 -0.00252 -0.25 -0.0112 -0.0112 -0.85 -0.7736 -0.8776 2493 SPBio_001756 CCC(=O)Nc1ccc(Cl)c(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H19 compound treatment 0.0042 0.00448 0.44 8.0E-4 7.96E-4 0.06 0.3552 0.7959 1000133 SPBio_001757 C[C@@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H20 compound treatment -0.0038 -0.00352 -0.35 -0.0022 -0.0022 -0.17 -0.3629 -0.9434 2494 SPBio_001758 CCNc1nc(Cl)nc(NCC)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H21 compound treatment 0.0022 0.00249 0.25 0.0017 0.00173 0.13 0.2663 0.9564 2060499 SPBio_001759 OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H22 compound treatment 0.0032 0.00348 0.34 0.0028 0.0028 0.21 0.3923 0.9726 2495 SPBio_001760 CCNc1nc(Cl)nc(NC(C)C)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H23 mock treatment 0.0042 0.00449 0.44 -3.0E-4 -2.7E-4 -0.02 0.299 0.6739 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 H24 mock treatment -0.0038 -0.00351 -0.35 -3.0E-4 -2.7E-4 -0.02 -0.259 -0.7474 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I01 mock treatment 0.0012 0.00149 0.15 -3.0E-4 -2.64E-4 -0.02 0.0898 0.6058 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I02 mock treatment 0.0052 0.00549 0.54 -0.0013 -0.00127 -0.1 0.3152 0.5733 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I03 compound treatment 0.0012 0.00149 0.15 0.0027 0.00273 0.21 0.2496 0.9861 2060321 SPBio_001761 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4c(=O)cc(oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I04 compound treatment 2.0E-4 4.84E-4 0.05 -2.0E-4 -2.04E-4 -0.02 0.0229 0.4562 2060201 SPBio_001762 CC(=O)OCC(O)CC(O)CCCCCCCCCCCC#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I05 compound treatment 0.0012 0.00149 0.15 0.0037 0.00373 0.28 0.303 0.9538 3173485 SPBio_001763 OC[C@H]1O[C@H](Oc2cccc3[C@H]([C@@H]4c5cccc(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I06 compound treatment -8.0E-4 -5.12E-4 -0.05 -0.0013 -0.00126 -0.1 -0.1032 -0.9559 2069229 SPBio_001764 Oc1ccc2oc3ccccc3c(=O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I07 compound treatment -0.0218 -0.0215 -2.12 -0.0202 -0.0202 -1.53 -2.58 -0.9871 2060342 SPBio_001765 O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c3cc(O)c(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I08 compound treatment -0.0038 -0.00351 -0.35 0.0017 0.00174 0.13 -0.1519 -0.4106 2060279 SPBio_001766 CC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CCC4C5CC(C)(C)CCC5(CC[C@]43C)C(=O)O)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I09 compound treatment -0.0048 -0.00451 -0.44 -0.0053 -0.00526 -0.4 -0.5954 -0.9984 2060442 SPBio_001767 CCC(N)C(O)c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I10 compound treatment 0.0022 0.00249 0.25 -0.0043 -0.00426 -0.32 -0.0537 -0.1325 2069285 SPBio_001768 CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc2cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I11 compound treatment -0.0088 -0.00851 -0.84 -0.0043 -0.00426 -0.32 -0.8212 -0.9134 2060343 SPBio_001769 CCCc1occc(=O)c1/C=C/O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I12 compound treatment -0.0038 -0.00352 -0.35 -0.0032 -0.0032 -0.24 -0.4163 -0.9845 2524 SPBio_001770 COP(=O)(NC(=O)C)SC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I13 compound treatment -0.0038 -0.00351 -0.35 -3.0E-4 -2.64E-4 -0.02 -0.2588 -0.7465 2060303 SPBio_001771 Cc1occc(=O)c1/C=C/O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I14 compound treatment -0.0048 -0.00451 -0.44 -0.0023 -0.00227 -0.17 -0.4354 -0.914 2528 SPBio_001772 CNC(=O)Oc1cccc2OC(C)(C)Oc21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I15 compound treatment 0.0082 0.00849 0.84 0.0027 0.00274 0.21 0.7385 0.8558 1000697 SPBio_001773 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@H](OC5[C@H](O)[C@H]4O)c6cccs6)c7cc8OCOc8cc27 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I16 compound treatment 2.0E-4 4.94E-4 0.05 0.0057 0.00574 0.43 0.3407 0.7817 2060192 SPBio_001774 CC1(C)CC2C1CCC3(C)CCCC2(O)C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I17 compound treatment -0.0038 -0.00351 -0.35 0.0028 0.00276 0.21 -0.0974 -0.2413 1835 SPBio_001775 CCCc1nn(C)c2c(=O)[nH]c(nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I18 compound treatment 0.0572 0.0575 5.67 0.0438 0.0438 3.3 6.3465 0.9669 3079231 SPBio_001776 CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@]654)c7ccoc7 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I19 compound treatment 0.0012 0.00149 0.15 0.0047 0.00474 0.36 0.357 0.9232 2060453 SPBio_001777 Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I20 compound treatment 0.0082 0.00849 0.84 0.0037 0.00373 0.28 0.7917 0.8956 1393 SPBio_001778 CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I21 compound treatment 0.0052 0.00549 0.54 0.0037 0.00373 0.28 0.5824 0.9536 2060298 SPBio_001779 CCCCCC1C(CC(=O)O)CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I22 compound treatment 0.0042 0.00449 0.44 0.0037 0.00373 0.28 0.5124 0.9762 3055569 SPBio_001780 OCc1cccnc1.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I23 mock treatment 0.0072 0.00749 0.74 -3.0E-4 -2.64E-4 -0.02 0.5083 0.6878 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 I24 mock treatment -0.0018 -0.00151 -0.15 0.0017 0.00173 0.13 -0.0126 -0.0636 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J01 mock treatment -8.0E-4 -5.1E-4 -0.05 -0.0113 -0.0113 -0.85 -0.6369 -0.7477 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J02 mock treatment -8.0E-4 -5.06E-4 -0.05 -0.0023 -0.00227 -0.17 -0.1564 -0.8769 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J03 compound treatment -8.0E-4 -5.06E-4 -0.05 -0.0053 -0.00527 -0.4 -0.3165 -0.7897 2060362 SPBio_001781 COc1ccc(cc1)c2c(OC)c3c(OC)c4C=CC(C)(C)Oc4cc3oc2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J04 compound treatment 0.0012 0.00149 0.15 -0.0013 -0.00127 -0.1 0.0364 0.2072 2497 SPBio_001782 CNC(=O)N(C)c1nnc(s1)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J05 compound treatment 0.0082 0.00849 0.84 -0.0023 -0.00226 -0.17 0.4713 0.5514 2060104 SPBio_001783 COc1cc(C)c2c(=O)c3c(O)cc(O)cc3oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J06 compound treatment -0.0118 -0.0115 -1.14 -0.0092 -0.0092 -0.69 -1.2946 -0.9722 2498 SPBio_001784 COc1c(Cl)ccc(Cl)c1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J07 compound treatment 0.0112 0.0115 1.13 0.0138 0.0138 1.04 1.5367 0.999 1029490 SPBio_001785 COc1cc(O)c(C)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J08 compound treatment 0.001 0.00128 0.13 0.006 0.006 0.45 0.4096 0.8714 2499 SPBio_001786 CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J09 compound treatment -0.0148 -0.0145 -1.43 -0.0062 -0.0062 -0.47 -1.3437 -0.8919 1060118 SPBio_001787 COc1cc(OC)c2c(=O)c(OC)c(oc2c1)c3ccc(OC)c(OC)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J10 compound treatment -0.0048 -0.00451 -0.44 -0.0013 -0.00126 -0.1 -0.3818 -0.8397 2500 SPBio_001788 COc1nc(NC(C)C)nc(NC(C)C)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J11 compound treatment -0.0098 -0.0095 -0.94 -0.0102 -0.0102 -0.77 -1.2092 -0.9955 2542 SPBio_001789 CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J12 compound treatment -0.0068 -0.00651 -0.64 -0.0013 -0.00126 -0.1 -0.5213 -0.8034 2501 SPBio_001790 CCc1cccc(C)c1N(C(C)COC)C(=O)CCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J13 compound treatment -0.0038 -0.00352 -0.35 -0.0052 -0.0052 -0.39 -0.5231 -0.9981 2060080 SPBio_001791 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CC6CC4C(=O)c3c(O)c2C=C1)C(C/C=C(/C)\C(=O)O)(OC5(C)C)C6O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J14 compound treatment 0.0142 0.0145 1.43 0.0138 0.0138 1.04 1.746 0.9876 2502 SPBio_001792 Clc1cccc(Cl)c1C#N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J15 compound treatment -0.1413 -0.141 -13.91 -0.1259 -0.126 -9.51 -16.557 -0.9828 1471 SPBio_001793 CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J16 compound treatment 0.0022 0.00249 0.25 0.0027 0.00273 0.21 0.3197 0.9962 2503 SPBio_001794 CSc1nc(NC(C)C)nc(NC(C)C)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J17 compound treatment -0.0018 -0.00151 -0.15 0.0048 0.00476 0.36 0.1487 0.3826 832 SPBio_001795 CCCn1c(=O)n(CCC)c2[nH]c(nc2c1=O)C3CCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J18 compound treatment 0.0072 0.00749 0.74 0.0067 0.00673 0.51 0.8818 0.9833 2504 SPBio_001796 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J19 compound treatment 0.0032 0.00349 0.34 0.0027 0.00273 0.21 0.3895 0.9699 3198539 SPBio_001797 CC(=CCCC1(C)Oc2c(CC=C(C)C)c3OC4(C5CC6C=C4C(=O)c3c(O)c2C=C1)C(C/C=C(\C)/C(=O)N)(OC5(C)C)C6=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J20 compound treatment -0.0118 -0.0115 -1.14 -0.0172 -0.0172 -1.3 -1.7227 -0.9977 2505 SPBio_001798 CC(C)N1C(=O)c2ccccc2NS1(=O)=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J21 compound treatment -0.0198 -0.0195 -1.92 -0.0063 -0.00627 -0.47 -1.6947 -0.8555 2069318 SPBio_001799 C[C@@H](NC(=O)/C(=C\c1ccc(O)c(O)c1)/C#N)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J22 compound treatment 0.0052 0.00549 0.54 -0.0013 -0.00127 -0.1 0.3152 0.5733 2537 SPBio_001800 COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J23 mock treatment 0.0012 0.00149 0.15 -0.0023 -0.00227 -0.17 -0.0173 -0.0767 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 J24 mock treatment -0.0078 -0.00751 -0.74 -0.0023 -0.00227 -0.17 -0.6446 -0.8482 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K01 mock treatment 0.0012 0.00149 0.15 -0.0063 -0.00626 -0.47 -0.2305 -0.4654 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K02 mock treatment -0.0058 -0.00551 -0.54 7.0E-4 7.3E-4 0.06 -0.3451 -0.6321 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K03 compound treatment -0.1245 -0.124 -12.25 -0.1333 -0.133 -10.07 -15.7815 -0.9952 2060271 SPBio_001801 CCC(C)C(=O)c1c(O)c(C)c2oc3c(C)c(O)c(C(=O)C(C)CC)c(O)c3c2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K04 compound treatment 0.0022 0.00249 0.25 -3.0E-4 -2.64E-4 -0.02 0.1597 0.6477 1048 SPBio_001802 CCn1cc(C(=O)O)c(=O)c2cc(F)c(nc12)N3CCNCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K05 compound treatment -0.0018 -0.00151 -0.15 -0.0013 -0.00126 -0.1 -0.1725 -0.9771 1386109 SPBio_001803 Oc1ccc2c(=O)c(O)c(oc2c1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K06 compound treatment 0.0032 0.00349 0.34 0.0017 0.00173 0.13 0.3362 0.912 709 SPBio_001804 COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K07 compound treatment 0.0052 0.0055 0.54 -0.0033 -0.00327 -0.25 0.2096 0.3515 907120 SPBio_001805 CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K08 compound treatment 0.0042 0.00448 0.44 -2.0E-4 -2.04E-4 -0.02 0.3019 0.6821 744 SPBio_001806 Cn1cnc2[nH]c(=O)n(C)c(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K09 compound treatment -0.0108 -0.0105 -1.04 -0.0172 -0.0172 -1.3 -1.6533 -0.9936 2060459 SPBio_001807 OC[C@H]1OC2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K10 compound treatment -0.0018 -0.00151 -0.15 7.0E-4 7.36E-4 0.06 -0.0658 -0.4145 1416 SPBio_001808 Cn1c(=O)n(C)c2[nH]c(nc2c1=O)C3CCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K11 compound treatment -0.0458 -0.0455 -4.49 -0.0502 -0.0502 -3.79 -5.8548 -0.9964 1001314 SPBio_001809 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K12 compound treatment -0.0088 -0.00851 -0.84 0.0017 0.00174 0.13 -0.5009 -0.5895 1505 SPBio_001810 CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K13 compound treatment -0.0128 -0.0125 -1.23 -0.0043 -0.00427 -0.32 -1.1 -0.8628 3474314 SPBio_001811 CN1CCCCC1C(=O)Nc2c(C)cccc2C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K14 compound treatment -0.0038 -0.00351 -0.35 -0.0023 -0.00227 -0.17 -0.3656 -0.9474 1587004 SPBio_001812 COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K15 compound treatment -0.0038 -0.00351 -0.35 0.0087 0.00874 0.66 0.2218 0.2978 2060476 SPBio_001813 C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K16 compound treatment 0.0082 0.00849 0.84 -0.0013 -0.00127 -0.1 0.5244 0.6221 4362 SPBio_001814 CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K17 compound treatment 0.0062 0.00649 0.64 0.0098 0.0098 0.74 0.9759 0.9974 1095093 SPBio_001815 CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K18 compound treatment -8.0E-4 -5.06E-4 -0.05 7.0E-4 7.36E-4 0.06 0.004 0.0534 80 SPBio_001816 CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K19 compound treatment 0.0022 0.00249 0.25 -0.0392 -0.0392 -2.96 -1.92 -0.6461 1101055 SPBio_001817 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K20 compound treatment -0.0108 -0.0105 -1.04 -0.0102 -0.0102 -0.77 -1.2799 -0.9896 3173239 SPBio_001818 CC(N/C(=N/C#N)/Nc1ccncc1)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K21 compound treatment 0.0012 0.00149 0.15 -0.0023 -0.00227 -0.17 -0.017 -0.0754 2060432 SPBio_001819 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)cc5cc4Cn3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K22 compound treatment 0.0012 0.00149 0.15 0.0027 0.00273 0.21 0.2499 0.9863 1000056 SPBio_001820 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K23 mock treatment -8.0E-4 -5.06E-4 -0.05 -0.0013 -0.00127 -0.1 -0.1031 -0.9538 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 K24 mock treatment -0.0068 -0.00651 -0.64 -0.0073 -0.00727 -0.55 -0.8418 -0.997 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L01 mock treatment -0.0038 -0.00351 -0.35 -3.0E-4 -2.64E-4 -0.02 -0.2586 -0.7466 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L02 mock treatment -0.0038 -0.00351 -0.35 -0.0033 -0.00327 -0.25 -0.4193 -0.9862 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L03 compound treatment -0.0088 -0.0085 -0.84 -0.0043 -0.00427 -0.32 -0.8204 -0.9137 3079366 SPBio_001821 O[C@@H]1[C@H]2COC(O2)[C@H](O)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L04 compound treatment -0.0328 -0.0325 -3.21 -0.0252 -0.0252 -1.9 -3.6134 -0.9689 2538 SPBio_001822 ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L05 compound treatment 0.0122 0.0125 1.23 -0.0023 -0.00226 -0.17 0.751 0.6033 1516 SPBio_001823 Nc1c2CCCCc2nc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L06 compound treatment 0.0945 0.0948 9.35 0.0838 0.0838 6.32 11.0837 0.9818 2539 SPBio_001824 CC1(C)C2(Cl)C(Cl)C1(Cl)C(Cl)(C(Cl)Cl)C(Cl)C2Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L07 compound treatment 0.0082 0.00848 0.84 0.0028 0.0028 0.21 0.741 0.8586 26 SPBio_001825 CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L08 compound treatment 0.0012 0.0015 0.15 -0.0062 -0.00622 -0.47 -0.2274 -0.4614 2541 SPBio_001826 ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L09 compound treatment -0.0038 -0.00351 -0.35 -0.0033 -0.00327 -0.25 -0.419 -0.9863 690 SPBio_001827 CC(C)NCC(O)COc1ccccc1CC=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L10 compound treatment 2.0E-4 4.94E-4 0.05 0.0128 0.0128 0.96 0.7154 0.7419 2540 SPBio_001828 ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L11 compound treatment -0.0038 -0.00351 -0.35 0.0027 0.00273 0.21 -0.0986 -0.2448 1395 SPBio_001829 CC(COc1ccccc1)N(CCCl)Cc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L12 compound treatment -0.0078 -0.00751 -0.74 -3.0E-4 -2.64E-4 -0.02 -0.5376 -0.7258 2060152 SPBio_001830 CC(=O)O[C@@H]1CC2C(C)(C)C=CC(=O)[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)C5OC54[C@]13C)c6ccoc6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L13 compound treatment -0.0058 -0.00551 -0.54 -0.0043 -0.00427 -0.32 -0.6121 -0.9688 74 SPBio_001831 COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L14 compound treatment -0.0028 -0.00251 -0.25 -0.0082 -0.00824 -0.62 -0.6149 -0.9182 3198541 SPBio_001832 CC(CCC=C(C)C)C1CC[C@@]2(C)C3=C(CC[C@]12C)C4(C)CC[C@H](OC(=O)C)C(C)(C)C4CC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L15 compound treatment 0.0032 0.00349 0.34 0.0128 0.0128 0.96 0.9244 0.904 907089 SPBio_001833 Cn1c(=O)n(C)c2ncn(CCCl)c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L16 compound treatment 0.0052 0.00548 0.54 0.0078 0.0078 0.59 0.7987 0.9991 2060174 SPBio_001834 CC(=CCc1c2OC(C)(C)C=Cc2c(O)c3c(=O)c(O)c(oc13)c4ccccc4)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L17 compound treatment -0.0018 -0.00151 -0.15 0.0048 0.0048 0.36 0.151 0.3857 352677 SPBio_001835 COc1ccccc1N2CCNCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L18 compound treatment 0.0142 0.0145 1.43 0.0188 0.0188 1.42 2.0126 1.0 3173763 SPBio_001836 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L19 compound treatment -0.0018 -0.00151 -0.15 0.0027 0.00274 0.21 0.041 0.1612 718 SPBio_001837 Cn1c(=O)n(C)c2ncn(CCO)c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L20 compound treatment 2.0E-4 4.94E-4 0.05 0.0017 0.00173 0.13 0.1269 0.9094 1171 SPBio_001838 CC(=O)Oc1ccccc1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L21 compound treatment -0.0048 -0.00451 -0.44 -3.0E-4 -2.7E-4 -0.02 -0.3287 -0.7387 1865 SPBio_001839 Clc1cccc(Nc2nnc(c3ccccc3)c4ccccc24)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L22 compound treatment -0.0068 -0.00651 -0.64 -0.0023 -0.00227 -0.17 -0.5751 -0.8654 2060217 SPBio_001840 COc1c(ccc2OC(C)(C)CCc12)C3COc4cc5OC(C)(C)C(O)Cc5cc4C3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L23 mock treatment 0.0022 0.00249 0.25 -3.0E-4 -2.7E-4 -0.02 0.1593 0.6463 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 L24 mock treatment -0.0038 -0.00351 -0.35 0.0027 0.00273 0.21 -0.099 -0.2456 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M01 mock treatment 0.0042 0.00449 0.44 0.0017 0.00173 0.13 0.4056 0.8784 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M02 mock treatment 0.0032 0.00349 0.34 0.0047 0.00473 0.36 0.4963 0.9998 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M03 compound treatment 0.0052 0.00549 0.54 0.0077 0.00773 0.58 0.796 0.9993 1091368 SPBio_001841 CNc1ccccc1C(=O)N2CCc3c([nH]c4ccccc34)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M04 compound treatment -0.0098 -0.0095 -0.94 -0.0172 -0.0172 -1.3 -1.5831 -0.9869 918 SPBio_001842 CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M05 compound treatment 0.0142 0.0145 1.43 0.0047 0.00473 0.36 1.264 0.8574 1015899 SPBio_001843 NCC(=O)CCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M06 compound treatment -8.0E-4 -5.12E-4 -0.05 0.0047 0.00473 0.36 0.2169 0.6011 693 SPBio_001844 CCN(CC)CCOc1ccc-2c(c1)C(=O)c3cc(OCCN(CC)CC)ccc32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M07 compound treatment 0.0092 0.0095 0.94 0.0078 0.00776 0.59 1.0769 0.9743 1001204 SPBio_001845 COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M08 compound treatment 0.0142 0.0145 1.43 0.0068 0.00676 0.51 1.3723 0.9035 2069286 SPBio_001846 CC(C)C(C)/C=C/C(C)[C@H]1CCC2C3=CCC4CC(=O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M09 compound treatment 0.0032 0.00349 0.34 -0.0013 -0.00126 -0.1 0.1762 0.4928 2060486 SPBio_001847 CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M10 compound treatment 0.0042 0.00449 0.44 7.0E-4 7.36E-4 0.06 0.3527 0.7896 3054523 SPBio_001848 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M11 compound treatment 0.0122 0.0125 1.23 0.0057 0.00574 0.43 1.1783 0.9014 1000656 SPBio_001849 OC1=C([C@H]2CC[C@@H](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M12 compound treatment 2.0E-4 4.94E-4 0.05 0.0118 0.0118 0.89 0.662 0.7448 3198536 SPBio_001850 COc1ccc2C[C@H]3N(C)CC[C@]4([C@H]5Oc1c24)C3=CC[C@@H]5O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M13 compound treatment 0.0062 0.00649 0.64 0.0027 0.00274 0.21 0.599 0.89 2060416 SPBio_001851 Sc1nc2ccccc2s1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M14 compound treatment 0.0062 0.00649 0.64 0.0128 0.0128 0.96 1.1339 0.9804 1014978 SPBio_001852 OCC(O)C(O)C(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M15 compound treatment 0.0032 0.00349 0.34 0.0027 0.00273 0.21 0.3894 0.97 3079223 SPBio_001853 Cl.NCCS 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M16 compound treatment 2.0E-4 4.94E-4 0.05 0.0088 0.00876 0.66 0.5019 0.7571 3079232 SPBio_001854 COc1ccc2c(=O)ccoc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M17 compound treatment 0.0072 0.0075 0.74 0.0027 0.00274 0.21 0.6695 0.8712 3172732 SPBio_001855 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M18 compound treatment 0.0022 0.00249 0.25 0.0098 0.00976 0.74 0.6945 0.8945 3198537 SPBio_001856 CC(C)c1c(O)ccc2c1CCC3C(C)(CCCC32C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M19 compound treatment 0.0072 0.00749 0.74 7.0E-4 7.3E-4 0.06 0.5614 0.7578 907181 SPBio_001857 NC(=N)NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M20 compound treatment 0.0072 0.00749 0.74 0.0047 0.00473 0.36 0.775 0.9444 1049467 SPBio_001858 COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M21 compound treatment 0.0122 0.0125 1.23 -0.0013 -0.00126 -0.1 0.8044 0.6505 1734308 SPBio_001859 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M22 compound treatment 0.0052 0.00549 0.54 0.0097 0.00973 0.73 0.9025 0.9887 2069239 SPBio_001860 Cc1cc(O)c2C(=O)c3c(O)c(C)cc(O)c3C(=O)c2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M23 mock treatment 0.0142 0.0145 1.43 0.0067 0.00673 0.51 1.3707 0.9031 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 M24 mock treatment 0.0032 0.00349 0.34 0.0087 0.00874 0.66 0.7098 0.954 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N01 mock treatment 0.0042 0.00449 0.44 0.0017 0.00173 0.13 0.4059 0.8783 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N02 mock treatment 0.0062 0.00649 0.64 0.0017 0.00173 0.13 0.5454 0.8343 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N03 compound treatment 0.0032 0.00349 0.34 0.0037 0.00373 0.28 0.4426 0.9951 1055442 SPBio_001861 Nc1nc(O)c2nc(cnc2n1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N04 compound treatment -0.0548 -0.0545 -5.38 -0.0432 -0.0432 -3.26 -6.1088 -0.9713 2060172 SPBio_001862 CC1(C)CC2C1CCC3(CBr)CCC4C(CC(=O)O)C(=O)OC24C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N05 compound treatment -0.0038 -0.00351 -0.35 -0.0033 -0.00327 -0.25 -0.419 -0.9863 2060299 SPBio_001863 CC1(C)CC2/C(=C/C=C/C(C)(O)CCC21O)/CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N06 compound treatment 0.0092 0.0095 0.94 0.0067 0.00673 0.51 1.0223 0.9587 1019872 SPBio_001864 COc1cc2COC(=O)c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N07 compound treatment 0.0182 0.0185 1.82 0.0188 0.0188 1.42 2.2926 0.9923 2069306 SPBio_001865 C[C@@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N08 compound treatment -0.0118 -0.0115 -1.14 0.0078 0.00776 0.59 -0.3892 -0.3045 2060193 SPBio_001866 CC1(C)C2CC1C(=C)C(N)C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N09 compound treatment 0.0212 0.0215 2.12 0.0208 0.0208 1.57 2.6087 0.9891 3173755 SPBio_001867 C[C@@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N10 compound treatment 0.0032 0.00348 0.34 0.0028 0.0028 0.21 0.3923 0.9726 2060191 SPBio_001868 CC1(C)CC2C1CCC(=O)C(CCC2=C)C3CC(=O)OC3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N11 compound treatment 0.0042 0.00449 0.44 0.0027 0.00273 0.21 0.4594 0.9395 3177324 SPBio_001869 C[C@@]12CC(=O)C3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CC[C@]1(O)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N12 compound treatment 0.0332 0.0335 3.3 0.0048 0.00476 0.36 2.5905 0.7794 1114909 SPBio_001870 COc1cc(CC=C)ccc1OC(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N13 compound treatment 0.0252 0.0255 2.51 0.0318 0.0318 2.4 3.4749 0.9997 2069240 SPBio_001871 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3C(=O)C[C@@]21C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N14 compound treatment -0.0118 -0.0115 -1.14 -0.0022 -0.0022 -0.17 -0.9209 -0.8021 3054634 SPBio_001872 COc1c(CC=C(C)C)c2OC(C)(C)C=Cc2c3oc(=O)c(c(O)c13)c4ccc(O)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N15 compound treatment -0.0128 -0.0125 -1.23 -0.0143 -0.0143 -1.08 -1.6338 -0.9977 2060261 SPBio_001873 CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@@H]2CCC4[C@@]5(C)CCCC(C)(C)C5[C@@H](O)C[C@]43C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N16 compound treatment -0.0048 -0.00452 -0.45 -0.0082 -0.0082 -0.62 -0.753 -0.9869 3174602 SPBio_001874 O=c1[nH]cnc2nc[nH]c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N17 compound treatment 0.0082 0.0085 0.84 0.0098 0.0098 0.74 1.1161 0.998 1506 SPBio_001875 OCc1cc(=O)c(O)co1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N18 compound treatment 0.0052 0.00549 0.54 0.0078 0.00776 0.59 0.797 0.9992 3174484 SPBio_001876 C[C@@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@@]43C)C2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N19 compound treatment 0.0102 0.0105 1.04 0.0078 0.00776 0.59 1.1467 0.9635 2060349 SPBio_001877 CCC[C@H]1CC2=C(C[C@@H](CC)CC3=C1C(=O)OC3=O)C(=O)OC2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N20 compound treatment 0.0205 0.0208 2.05 0.0277 0.0277 2.09 2.9282 1.0 2060302 SPBio_001878 CC(C)CCC[C@@H](C)CCC[C@@H](C)CC/C(=C/CO)/C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N21 compound treatment 0.0032 0.00349 0.34 0.0158 0.0158 1.19 1.0845 0.8758 3198540 SPBio_001879 COC(=O)/C(=C/CC1(OC(C)(C)C2CC3C=C4C(=O)c5cc6C7CC(C)(CCC7=C(C)C)Oc6c(CCC(C)(C)Cl)c5OC241)C3=O)/C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N22 compound treatment -0.0018 -0.00151 -0.15 -3.0E-4 -2.7E-4 -0.02 -0.1195 -0.7965 3174493 SPBio_001880 N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N23 mock treatment 0.0052 0.00549 0.54 0.0097 0.00973 0.73 0.9025 0.9887 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 N24 mock treatment -0.0038 -0.00351 -0.35 0.0027 0.00274 0.21 -0.0985 -0.2445 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O01 mock treatment -0.0038 -0.00351 -0.35 0.0017 0.00173 0.13 -0.1521 -0.4113 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O02 mock treatment -0.0018 -0.00151 -0.15 0.0037 0.00374 0.28 0.0944 0.2961 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O03 compound treatment -0.0308 -0.0305 -3.01 -0.0322 -0.0322 -2.43 -3.8484 -0.9945 1000094 SPBio_001881 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O04 compound treatment 0.0122 0.0125 1.23 0.0148 0.0148 1.11 1.6599 0.9987 3079279 SPBio_001882 COC(=O)c1c(C)cc(O)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O05 compound treatment -0.0028 -0.00251 -0.25 -0.0023 -0.00226 -0.17 -0.2957 -0.9837 2101 SPBio_001883 Oc1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O06 compound treatment 2.0E-4 4.94E-4 0.05 7.0E-4 7.36E-4 0.06 0.0737 0.9978 3055391 SPBio_001884 OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O07 compound treatment -0.0018 -0.00151 -0.15 0.0057 0.00574 0.43 0.2009 0.4386 3480079 SPBio_001885 COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O08 compound treatment 0.0012 0.00149 0.15 0.0078 0.0078 0.59 0.5204 0.8576 3198538 SPBio_001886 COc1cc2OCOc2cc1c3coc4cc(OC)c(OC)cc4c3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O09 compound treatment -0.0018 -0.00151 -0.15 0.0098 0.00976 0.74 0.4158 0.5533 3177524 SPBio_001887 CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O10 compound treatment -0.0048 -0.00451 -0.44 -0.0013 -0.00127 -0.1 -0.3822 -0.8398 2060249 SPBio_001888 COc1ccc(cc1)c2coc3c(OC)c(O)ccc3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O11 compound treatment -8.0E-4 -5.06E-4 -0.05 0.0027 0.00273 0.21 0.1105 0.5209 1635 SPBio_001889 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnn[nH]5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O12 compound treatment -8.0E-4 -5.08E-4 -0.05 -0.0013 -0.00126 -0.1 -0.1029 -0.9549 3079280 SPBio_001890 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O13 compound treatment -0.0028 -0.00251 -0.25 -0.0033 -0.00326 -0.25 -0.3493 -1.0 1000155 SPBio_001891 C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4c(=O)c(cn1c24)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O14 compound treatment -0.0138 -0.0135 -1.33 -0.0133 -0.0133 -1.0 -1.6501 -0.9901 1002679 SPBio_001892 OCC(O)C(O)C(O)C(O)C(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O15 compound treatment 0.0022 0.00249 0.25 0.0037 0.00373 0.28 0.373 0.9977 1606766 SPBio_001893 CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4nnn[nH]4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O16 compound treatment 0.0122 0.0125 1.23 0.0138 0.0138 1.04 1.6086 0.9965 2060353 SPBio_001894 Cc1c(O)cc(O)c2c(=O)c(coc12)c3ccc(O)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O17 compound treatment 0.0022 0.00249 0.25 0.0088 0.0088 0.66 0.6435 0.9087 3059445 SPBio_001895 CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O18 compound treatment 0.0032 0.00349 0.34 0.0047 0.00474 0.36 0.4962 0.9998 2060132 SPBio_001896 CC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc3ccoc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O19 compound treatment -8.0E-4 -5.08E-4 -0.05 -0.0013 -0.00126 -0.1 -0.1029 -0.9549 3480074 SPBio_001897 CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O20 compound treatment 2.0E-4 4.88E-4 0.05 0.0098 0.00976 0.74 0.5548 0.7517 2060134 SPBio_001898 COc1cc2ccc(=O)oc2c3ccoc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O21 compound treatment 2.0E-4 4.94E-4 0.05 0.0087 0.00873 0.66 0.5006 0.7573 907463 SPBio_001899 Cc1nc2ccccn2c(=O)c1CCN3CCC(CC3)C(=O)c4ccc(F)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O22 compound treatment 0.0032 0.00349 0.34 0.0077 0.00774 0.58 0.6564 0.9682 2060220 SPBio_001900 CC/1[C@H]2C[C@@H](C\C1=N/O)C2(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O23 mock treatment 0.0012 0.00149 0.15 0.0017 0.00174 0.13 0.1965 0.9984 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 O24 mock treatment 2.0E-4 4.88E-4 0.05 7.0E-4 7.36E-4 0.06 0.0733 0.9974 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P01 mock treatment -0.0038 -0.00351 -0.35 7.0E-4 7.3E-4 0.06 -0.2058 -0.5871 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P02 mock treatment 0.0022 0.00249 0.25 0.0047 0.00474 0.36 0.4265 0.9832 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P03 compound treatment -0.0038 -0.00351 -0.35 -0.0023 -0.00227 -0.17 -0.3655 -0.9473 1087705 SPBio_001901 CCOC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P04 compound treatment -0.0258 -0.0255 -2.51 -0.0312 -0.0312 -2.36 -3.4465 -0.9995 290 SPBio_001902 CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(=C[C@H]2[C@@H]4C(C)(C)[C@@]41OC(=O)C)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P05 compound treatment -0.0048 -0.00451 -0.44 -3.0E-4 -2.64E-4 -0.02 -0.3284 -0.738 2543 SPBio_001903 CCCCCCCCCc1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P06 compound treatment 2.0E-4 4.94E-4 0.05 7.0E-4 7.36E-4 0.06 0.0737 0.9978 2060293 SPBio_001904 C[C@@H]1CC[C@H]2C(C)(C)C3C[C@@]12CC[C@@]3(C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P07 compound treatment 0.0012 0.00149 0.15 0.0098 0.00976 0.74 0.625 0.8321 2069261 SPBio_001905 COc1cc2OCC3Oc4c5C=CC(C)(C)Oc5cc(O)c4C(=O)C3c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P08 compound treatment -0.0058 -0.00551 -0.54 0.0027 0.00273 0.21 -0.2385 -0.4102 1305 SPBio_001906 CCOC(=O)O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccc(OC)cc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P09 compound treatment 0.0012 0.00148 0.15 -0.0052 -0.0052 -0.39 -0.1743 -0.4158 2060403 SPBio_001907 COc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P10 compound treatment 0.0052 0.00549 0.54 7.0E-4 7.32E-4 0.06 0.422 0.7753 2325 SPBio_001908 NC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P11 compound treatment 2.0E-4 4.88E-4 0.05 -0.0073 -0.00726 -0.55 -0.3537 -0.6426 3079389 SPBio_001909 COc1cc(OC)c(C(=O)c2ccc(O)cc2)c(OC)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P12 compound treatment -0.0078 -0.00751 -0.74 -0.0063 -0.00627 -0.47 -0.8583 -0.9765 2544 SPBio_001910 CCOCN(C(=O)CCl)c1c(C)cccc1CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P13 compound treatment 0.0142 0.0145 1.43 0.0058 0.00576 0.43 1.3175 0.8823 2060426 SPBio_001911 COc1c(O)cccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P14 compound treatment 0.0092 0.00949 0.94 0.0067 0.00674 0.51 1.0215 0.9589 1004713 SPBio_001912 CNc1ccccc1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P15 compound treatment 0.0042 0.0045 0.44 -0.0013 -0.00126 -0.1 0.2467 0.5429 1402956 SPBio_001913 CC(N)C(O)c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P16 compound treatment -0.0218 -0.0215 -2.12 -0.0362 -0.0362 -2.74 -3.4342 -0.9921 1040795 SPBio_001914 COc1cccc(O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P17 compound treatment 0.0082 0.00849 0.84 0.0057 0.00573 0.43 0.8982 0.9528 1010251 SPBio_001915 O=C(Nc1ccccc1)Nc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P18 compound treatment 0.0042 0.00448 0.44 -0.0023 -0.00227 -0.17 0.1918 0.4045 2060417 SPBio_001916 CC(=C)C1Cc2c(O1)ccc(C(=O)O)c2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P19 compound treatment -8.0E-4 -5.06E-4 -0.05 7.0E-4 7.36E-4 0.06 0.004 0.0534 2069279 SPBio_001917 CCC(C)C(NC)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P20 compound treatment -0.0318 -0.0315 -3.11 -0.0452 -0.0452 -3.42 -4.6121 -0.9989 2060436 SPBio_001918 O=C(CCCCCCCCCCCCC1CCCC1)Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(=O)CCCCCCCCCCCCC4CCCC4)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P21 compound treatment -0.0068 -0.00651 -0.64 -0.0043 -0.00427 -0.32 -0.6819 -0.9491 2069262 SPBio_001919 COc1cc(/C=C/C=O)cc(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P22 compound treatment 0.0012 0.00149 0.15 0.0047 0.00474 0.36 0.357 0.9232 2060448 SPBio_001920 COc1ccc2[C@H](O)[C@H](Cc3ccc(OC)c(OC)c3)COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P23 mock treatment 0.0182 0.0185 1.83 0.0027 0.00274 0.21 1.4367 0.7821 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2163 P24 mock treatment 0.0042 0.00449 0.44 -0.0033 -0.00327 -0.25 0.139 0.274 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A01 mock treatment -0.0027 -0.00262 -0.26 -0.003 -0.00234 -0.18 -0.3081 -0.9828 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A02 mock treatment -0.0046 -0.00462 -0.46 -0.004 -0.00334 -0.25 -0.501 -0.9611 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A03 compound treatment -0.0027 -0.00262 -0.26 -0.004 -0.00334 -0.25 -0.3613 -0.9999 1026119 SPBio_001921 COc1ccc(C(=O)O)c(O)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A04 compound treatment -0.0027 -0.00262 -0.26 0.0 6.54E-4 0.05 -0.1481 -0.5621 1164875 SPBio_001922 Nc1nc2[nH]nnc2c(=O)[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A05 compound treatment -0.0017 -0.00162 -0.16 -0.002 -0.00134 -0.1 -0.1848 -0.9755 2069278 SPBio_001923 Cc1cc(O)c(C=O)c(O)c1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A06 compound treatment -0.0017 -0.00162 -0.16 -0.002 -0.00134 -0.1 -0.185 -0.9756 923 SPBio_001924 NC(=O)NC1NC(=O)NC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A07 compound treatment 0.0014 0.00138 0.14 0.002 0.00266 0.2 0.238 0.9818 3080393 SPBio_001925 COc1ccc(cc1)c2c(O)c3c(OC)c4CCC(C)(C)Oc4cc3oc2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A08 compound treatment -0.0066 -0.00662 -0.65 -0.008 -0.00734 -0.55 -0.854 -0.9967 692 SPBio_001926 CC(=O)Nc1nnc(s1)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A09 compound treatment -0.0037 -0.00362 -0.36 -0.002 -0.00134 -0.1 -0.3243 -0.873 2069280 SPBio_001927 COc1cc(O)ccc1C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A10 compound treatment -7.0E-4 -6.25E-4 -0.06 -0.004 -0.00334 -0.25 -0.2221 -0.8547 1714 SPBio_001928 CN(C)C(=N)NC(=N)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A11 compound treatment -0.0187 -0.0186 -1.84 -0.024 -0.0234 -1.77 -2.5473 -0.9998 2060335 SPBio_001929 Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A12 compound treatment -0.0066 -0.00662 -0.65 -0.008 -0.00734 -0.55 -0.8539 -0.9966 3221455 SPBio_001930 COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A13 compound treatment -0.0017 -0.00162 -0.16 -0.003 -0.00234 -0.18 -0.2382 -0.9988 3198542 SPBio_001931 COc1ccc(cc1)c2cc(=O)c3c(OC)cc(OC)c(c4cc(ccc4OC)c5cc(=O)c6c(OC)cc(OC)cc6o5)c3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A14 compound treatment -0.0027 -0.00262 -0.26 -0.004 -0.00334 -0.25 -0.3616 -0.9999 3064163 SPBio_001932 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A15 compound treatment -0.0087 -0.00862 -0.85 -0.01 -0.00938 -0.71 -1.1025 -0.9959 3080394 SPBio_001933 COc1cc(OC)c2c(=O)c(c(C)oc2c1OC)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A16 compound treatment 0.0083 0.00838 0.83 0.009 0.00966 0.73 1.0997 0.9981 1000042 SPBio_001934 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A17 compound treatment -7.0E-4 -6.25E-4 -0.06 0.0 6.54E-4 0.05 -0.0087 -0.11 2060054 SPBio_001935 CC(=O)OC(OC(=O)C)c1c(OC(=O)C)cc(C)c2C(=O)Oc3c(C)c(OC(=O)C)c4C(=O)OC(OC(=O)C)c4c3Oc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A18 compound treatment 0.0014 0.00138 0.14 0.002 0.00266 0.2 0.238 0.9818 807 SPBio_001936 CCCc1ncc(C[n+]2ccccc2C)c(N)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A19 compound treatment -0.0037 -0.00362 -0.36 -0.001 -3.4E-4 -0.03 -0.2709 -0.756 3173626 SPBio_001937 CC(C)C(C)/C=C/C(C)C1CCC2C3=CC=C4C(C)(C)C(CCC4(C)C3CCC12C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A20 compound treatment -0.0056 -0.00562 -0.55 -0.005 -0.00434 -0.33 -0.624 -0.9685 931 SPBio_001938 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A21 compound treatment -0.0097 -0.00962 -0.95 -0.007 -0.00634 -0.48 -1.0097 -0.9497 1082584 SPBio_001939 COc1cc2OCc3oc4c5CC(Oc5ccc4c(=O)c3-c2cc1OC)C(=C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A22 compound treatment 0.0053 0.00538 0.53 0.003 0.00366 0.28 0.5702 0.9537 3068956 SPBio_001940 NC(=NS(=O)(=O)c1ccc(N)cc1)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A23 mock treatment 0.0013 0.00138 0.14 0.001 0.00166 0.13 0.1845 0.9992 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 A24 mock treatment -0.0017 -0.00162 -0.16 -0.001 -3.46E-4 -0.03 -0.1318 -0.8117 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B01 mock treatment -0.0056 -0.00562 -0.55 -0.012 -0.0114 -0.86 -0.9998 -0.9776 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B02 mock treatment -0.0076 -0.00762 -0.75 -0.006 -0.00534 -0.4 -0.8168 -0.9573 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B03 compound treatment -0.0046 -0.00462 -0.46 -0.008 -0.00734 -0.55 -0.7145 -0.9953 683 SPBio_001941 Cc1ncc([N+](=O)[O-])n1CCO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B04 compound treatment -0.0107 -0.0106 -1.05 -0.015 -0.0144 -1.09 -1.5088 -0.9998 735 SPBio_001942 NNC(=O)c1ccncc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B05 compound treatment -0.0087 -0.00862 -0.85 -0.014 -0.0134 -1.01 -1.3159 -0.9964 1449 SPBio_001943 CN1[C@@H](CCC1=O)c2cccnc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B06 compound treatment -0.0046 -0.00462 -0.46 -0.008 -0.00734 -0.55 -0.7145 -0.9953 1008060 SPBio_001944 C1CCc2nnnn2CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B07 compound treatment -0.0137 -0.0136 -1.34 -0.016 -0.0154 -1.16 -1.7713 -0.9974 1402 SPBio_001945 CC[N+](C)(C)c1cccc(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B08 compound treatment -0.0057 -0.00562 -0.55 -0.006 -0.00534 -0.4 -0.6774 -0.9877 1480 SPBio_001946 Clc1ccc2oc(=O)[nH]c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B09 compound treatment -0.0017 -0.00162 -0.16 -0.002 -0.00134 -0.1 -0.1848 -0.9755 1029858 SPBio_001947 NC(=N)NC(=N)N1CCOCC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B10 compound treatment -0.0037 -0.00362 -0.36 -0.006 -0.00534 -0.4 -0.5381 -0.9982 1054660 SPBio_001948 Cc1ncc([N+](=O)[O-])n1CC(O)CCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B11 compound treatment -0.0256 -0.0256 -2.53 -0.028 -0.0274 -2.07 -3.2489 -0.995 678 SPBio_001949 NCC(CC(=O)O)c1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B12 compound treatment 4.0E-4 3.76E-4 0.04 -0.003 -0.00234 -0.18 -0.0987 -0.5467 869 SPBio_001950 CCC1(C)CC(=O)NC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B13 compound treatment -0.0107 -0.0106 -1.05 -0.015 -0.0144 -1.09 -1.5087 -0.9998 839 SPBio_001951 Nc1nc2n(COCCO)cnc2c(=O)[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B14 compound treatment -0.0056 -0.00562 -0.55 -0.029 -0.0284 -2.14 -1.9068 -0.8618 997 SPBio_001952 NCc1ccc(cc1)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B15 compound treatment -0.0107 -0.0106 -1.05 -0.012 -0.0114 -0.86 -1.3485 -0.9951 35 SPBio_001953 CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B16 compound treatment -0.0027 -0.00262 -0.26 -0.008 -0.00734 -0.55 -0.5751 -0.9399 399 SPBio_001954 Nc1nc2ccc(OC(F)(F)F)cc2s1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B17 compound treatment -0.0087 -0.00867 -0.86 -0.011 -0.0103 -0.78 -1.1565 -0.9989 1090166 SPBio_001955 CN(C)c1c(C)n(C)n(c2ccccc2)c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B18 compound treatment -0.0037 -0.00362 -0.36 -0.004 -0.00334 -0.25 -0.4313 -0.9855 3173466 SPBio_001956 [O-][N+](=O)c1ccc(/C=N/N2CC(=O)NC2=O)o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B19 compound treatment -0.0097 -0.00962 -0.95 -0.007 -0.00634 -0.48 -1.0099 -0.9498 3188940 SPBio_001957 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B20 compound treatment -0.0087 -0.00867 -0.86 -0.008 -0.00733 -0.55 -0.9963 -0.9778 776 SPBio_001958 NNc1nncc2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B21 compound treatment -0.0037 -0.00362 -0.36 -0.009 -0.00834 -0.63 -0.6982 -0.964 1428 SPBio_001959 CC(C)NCC(O)COc1cccc2[nH]ccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B22 compound treatment -0.0037 -0.00362 -0.36 -0.008 -0.00738 -0.56 -0.6467 -0.977 3273 SPBio_001960 NNCCc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B23 mock treatment -0.0027 -0.00262 -0.26 -0.008 -0.00734 -0.55 -0.5749 -0.9399 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 B24 mock treatment -0.0047 -0.00462 -0.46 -0.008 -0.00734 -0.55 -0.7146 -0.9953 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C01 mock treatment 0.0033 0.00338 0.33 0.001 0.00166 0.13 0.3239 0.9106 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C02 mock treatment 0.0014 0.00138 0.14 -0.001 -3.43E-4 -0.03 0.0777 0.562 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C03 compound treatment 0.0014 0.00138 0.14 0.0 6.6E-4 0.05 0.1312 0.9074 2069342 SPBio_001961 COC1=CC(=O)C(=CC1=O)C(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C04 compound treatment 0.0023 0.00238 0.23 0.003 0.00366 0.28 0.3609 0.9967 2898 SPBio_001962 Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C05 compound treatment 0.0043 0.00438 0.43 0.003 0.00366 0.28 0.5005 0.9768 2060428 SPBio_001963 CCOC(=O)C(=O)C1(Oc2cc(OC)cc(OC)c2C(=O)C1c3ccccc3)C(=O)OCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C06 compound treatment -0.0047 -0.00462 -0.46 -0.008 -0.00734 -0.55 -0.7144 -0.9953 3188932 SPBio_001964 CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C07 compound treatment 0.0014 0.00138 0.14 0.0 6.6E-4 0.05 0.1312 0.9074 966 SPBio_001965 OC[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C08 compound treatment 4.0E-4 3.76E-4 0.04 0.002 0.00266 0.2 0.1682 0.8238 1131 SPBio_001966 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C09 compound treatment -7.0E-4 -6.24E-4 -0.06 -0.004 -0.00333 -0.25 -0.2213 -0.8549 1000247 SPBio_001967 CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C10 compound treatment 0.0034 0.00338 0.33 -0.002 -0.00134 -0.1 0.1638 0.4704 878 SPBio_001968 CC(=O)NS(=O)(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C11 compound treatment -0.0047 -0.00462 -0.46 -0.006 -0.00534 -0.4 -0.6077 -0.9981 1319 SPBio_001969 NCCCCN 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C12 compound treatment 0.0073 0.00738 0.73 0.005 0.00562 0.42 0.8145 0.967 1507 SPBio_001970 CC(N)CCCC(C)(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C13 compound treatment 0.0024 0.00238 0.23 -0.001 -3.4E-4 -0.03 0.1476 0.6259 3173726 SPBio_001971 NNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C14 compound treatment -0.0047 -0.00467 -0.46 -0.005 -0.00437 -0.33 -0.5593 -0.9865 1175 SPBio_001972 Nc1ccc(cc1)S(=O)(=O)Nc2nccs2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C15 compound treatment 0.0043 0.00438 0.43 -0.1186 -0.118 -8.9 -5.9903 -0.672 914 SPBio_001973 OC[C@H]1O[C@@H](OC2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24)[C@H](O)[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C16 compound treatment -0.0097 -0.00962 -0.95 -0.012 -0.0114 -0.86 -1.2788 -0.9988 1079 SPBio_001974 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C17 compound treatment 0.0034 0.00338 0.33 0.004 0.00466 0.35 0.4842 0.9996 768 SPBio_001975 C[N+](C)(C)CCO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C18 compound treatment -0.0027 -0.00262 -0.26 -0.016 -0.0154 -1.16 -1.0043 -0.844 3068957 SPBio_001976 OC[C@H]1O[C@H](CC1O)n2cc(I)c(=O)[nH]c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C19 compound treatment 0.0043 0.00433 0.43 0.003 0.00363 0.27 0.4955 0.9771 3055573 SPBio_001977 OC[C@H]1OC([C@H](O)[C@@H]1O)n2cnc3c(=O)[nH]cnc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C20 compound treatment 0.0043 0.00433 0.43 0.004 0.00463 0.35 0.5489 0.9951 3068958 SPBio_001978 CC(C)(CS)C(=O)N1CCC[C@@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C21 compound treatment 0.0043 0.00438 0.43 0.009 0.00962 0.73 0.8187 0.9691 1193 SPBio_001979 CCOc1ccc(NC(=O)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C22 compound treatment -6.0E-4 -6.24E-4 -0.06 0.0 6.54E-4 0.05 -0.0086 -0.1092 82 SPBio_001980 Nc1cc(nc(N)[n+]1[O-])N2CCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C23 mock treatment 0.0053 0.00538 0.53 0.005 0.00566 0.43 0.6771 0.9943 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 C24 mock treatment 0.0063 0.00638 0.63 0.005 0.00566 0.43 0.7468 0.9823 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D01 mock treatment -7.0E-4 -6.25E-4 -0.06 -0.004 -0.00334 -0.25 -0.2221 -0.8547 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D02 mock treatment -6.0E-4 -6.24E-4 -0.06 -0.002 -0.00134 -0.1 -0.1152 -0.9713 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D03 compound treatment 0.0033 0.00338 0.33 0.002 0.00266 0.2 0.3772 0.9706 715 SPBio_001981 COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D04 compound treatment 0.0024 0.00238 0.23 -0.001 -3.43E-4 -0.03 0.1474 0.6251 1262 SPBio_001982 NC[C@H]1CC[C@@H](CC1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D05 compound treatment -7.0E-4 -6.25E-4 -0.06 -0.003 -0.00234 -0.18 -0.1687 -0.9004 1002029 SPBio_001983 CN(C)C/C=C(/c1ccc(Br)cc1)\c2cccnc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D06 compound treatment -0.0167 -0.0167 -1.64 -0.016 -0.0153 -1.16 -1.9814 -0.9852 718 SPBio_001984 Cn1c(=O)n(C)c2ncn(CCO)c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D07 compound treatment 4.0E-4 3.76E-4 0.04 -0.002 -0.00134 -0.1 -0.0453 -0.4204 1451360 SPBio_001985 OC(C1CCNCC1)(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D08 compound treatment 0.0043 0.00438 0.43 0.006 0.00666 0.5 0.6606 0.9971 3069074 SPBio_001986 N[C@@H]1C[C@H]1c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D09 compound treatment -0.0386 -0.0386 -3.81 -0.026 -0.0254 -1.92 -4.0489 -0.9494 1921128 SPBio_001987 Cn1cnc([N+](=O)[O-])c1Sc2ncnc3nc[nH]c23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D10 compound treatment -0.0066 -0.00662 -0.65 -0.012 -0.0114 -0.86 -1.0695 -0.9909 3256 SPBio_001988 CCN(CCCc1ccccc1)CCCc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D11 compound treatment 0.0034 0.00338 0.33 0.003 0.00366 0.28 0.4309 0.9957 3069004 SPBio_001989 C[C@@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D12 compound treatment -0.0017 -0.00162 -0.16 -0.003 -0.00234 -0.18 -0.2382 -0.9988 3069075 SPBio_001990 OC(=O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D13 compound treatment -0.0027 -0.00262 -0.26 -0.001 -3.4E-4 -0.03 -0.2012 -0.7735 3060090 SPBio_001991 NC(=N)N/N=C/c1c(Cl)cccc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D14 compound treatment -0.0027 -0.00262 -0.26 -0.029 -0.0283 -2.14 -1.6955 -0.787 780 SPBio_001992 CC(C)NNC(=O)c1ccncc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D15 compound treatment -0.0086 -0.00862 -0.85 -0.008 -0.00734 -0.55 -0.9934 -0.9784 2038 SPBio_001993 CCN(CC)C(=S)SSC(=S)N(CC)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D16 compound treatment -0.0807 -0.0806 -7.95 -0.079 -0.0784 -5.92 -9.8077 -0.9894 1256 SPBio_001994 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D17 compound treatment 0.0063 0.00633 0.62 0.008 0.00863 0.65 0.9019 0.9998 2060486 SPBio_001995 CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D18 compound treatment 0.0083 0.00833 0.82 0.006 0.00663 0.5 0.9347 0.9718 741 SPBio_001996 Cc1ccccc1OCC(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D19 compound treatment 0.0053 0.00538 0.53 0.005 0.00566 0.43 0.6771 0.9943 1434 SPBio_001997 CN1CCN2C(C1)c3ccccc3Cc4ccccc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D20 compound treatment 0.0043 0.00438 0.43 0.004 0.00466 0.35 0.554 0.9948 1018627 SPBio_001998 NC(=N)NC(=N)NCCc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D21 compound treatment 0.0063 0.00638 0.63 0.008 0.00862 0.65 0.9049 0.9999 440 SPBio_001999 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D22 compound treatment 0.0043 0.00438 0.43 0.004 0.00466 0.35 0.5539 0.9949 1086 SPBio_002000 CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(c1)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D23 mock treatment 0.0033 0.00338 0.33 0.004 0.00466 0.35 0.484 0.9996 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 D24 mock treatment 0.0024 0.00238 0.23 -0.022 -0.0214 -1.61 -0.9751 -0.5981 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E01 mock treatment 0.0043 0.00438 0.43 0.0 6.54E-4 0.05 0.3401 0.7829 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E02 mock treatment 0.0034 0.00338 0.33 0.001 0.00166 0.13 0.3239 0.9106 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E03 compound treatment 0.0014 0.00138 0.14 0.0 6.6E-4 0.05 0.1312 0.9074 939 SPBio_002001 Cc1cccc(Nc2ccccc2C(=O)O)c1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E04 compound treatment -0.0107 -0.0107 -1.05 -0.012 -0.0114 -0.86 -1.3515 -0.9949 944 SPBio_002002 Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E05 compound treatment -0.0047 -0.00462 -0.46 0.0 6.6E-4 0.05 -0.2874 -0.6262 1668673 SPBio_002003 Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)nn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E06 compound treatment -0.0027 -0.00262 -0.26 -0.005 -0.00434 -0.33 -0.4147 -0.9932 3060 SPBio_002004 CC(C)(CO)[C@@H](O)C(=O)NCCCO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E07 compound treatment -6.0E-4 -6.24E-4 -0.06 -0.006 -0.00534 -0.4 -0.3288 -0.8056 944 SPBio_002005 Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E08 compound treatment -6.0E-4 -6.24E-4 -0.06 -0.001 -3.43E-4 -0.03 -0.0618 -0.9261 1159 SPBio_002006 Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E09 compound treatment -0.0017 -0.00162 -0.16 -0.006 -0.00534 -0.4 -0.3983 -0.9182 2060488 SPBio_002007 CC(=CCC[C@@](C)(O)C=C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E10 compound treatment -6.0E-4 -6.24E-4 -0.06 -0.004 -0.00334 -0.25 -0.2218 -0.8546 3188934 SPBio_002008 C[C@@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E11 compound treatment 4.0E-4 3.76E-4 0.04 -0.001 -3.4E-4 -0.03 0.0081 0.1789 3198543 SPBio_002009 [Na+].Oc1ccccc1C(=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E12 compound treatment -0.0367 -0.0366 -3.61 -0.047 -0.0464 -3.5 -5.0304 -0.9999 1433 SPBio_002010 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E13 compound treatment -0.0017 -0.00162 -0.16 -0.001 -3.46E-4 -0.03 -0.1317 -0.8118 1603 SPBio_002011 OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E14 compound treatment -0.0077 -0.00767 -0.76 -0.002 -0.00137 -0.1 -0.6084 -0.7963 3068961 SPBio_002012 CN/C(=N/C#N)/NCCSCC1N=CN=C1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E15 compound treatment -6.0E-4 -6.24E-4 -0.06 0.0 6.6E-4 0.05 -0.0083 -0.1048 870 SPBio_002013 OC(=O)/C(=C/c1ccc(O)cc1)/C#N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E16 compound treatment 0.0034 0.00338 0.33 0.001 0.00166 0.13 0.3239 0.9106 1432 SPBio_002014 CN(C)CCOC(C)(c1ccccc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E17 compound treatment -0.0037 -0.00362 -0.36 0.001 0.00166 0.13 -0.1642 -0.4334 3055218 SPBio_002015 OCC(O)[C@H]1OC(=O)C(=C1O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E18 compound treatment -0.0077 -0.00762 -0.75 -0.007 -0.00634 -0.48 -0.8705 -0.9762 1000260 SPBio_002016 CC[C@H](CO)NCCN[C@H](CC)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E19 compound treatment 0.0024 0.00238 0.23 0.003 0.00362 0.27 0.359 0.9971 3198544 SPBio_002017 CC([C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E20 compound treatment -0.0046 -0.00462 -0.46 0.001 0.00166 0.13 -0.2339 -0.4945 1108 SPBio_002018 Cc1cc(=O)n(c2ccccc2)n1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E21 compound treatment -0.0047 -0.00467 -0.46 -0.006 -0.00537 -0.41 -0.6127 -0.9979 3471107 SPBio_002019 NC(=O)c1cc[n+](CC2=C(N3C(SC2)C(NC(=O)C(c4ccccc4)S(=O)(=O)O)C3=O)C(=O)O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E22 compound treatment 0.0043 0.00438 0.43 0.006 0.00666 0.5 0.6608 0.9971 1079457 SPBio_002020 Cc1c(O)c(=O)n(c2ccccc2)n1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E23 mock treatment 0.0034 0.00338 0.33 0.001 0.00166 0.13 0.3239 0.9106 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 E24 mock treatment -6.0E-4 -6.24E-4 -0.06 0.0 6.6E-4 0.05 -0.0083 -0.1048 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F01 mock treatment 0.0033 0.00338 0.33 -0.001 -3.43E-4 -0.03 0.2171 0.6501 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F02 mock treatment -0.0017 -0.00162 -0.16 -0.005 -0.00434 -0.33 -0.345 -0.9458 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F03 compound treatment 0.0014 0.00138 0.14 0.0 6.6E-4 0.05 0.1312 0.9074 899 SPBio_002021 CN1CCc2cccc-3c2[C@H]1Cc4ccc(O)c(O)c43 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F04 compound treatment -0.0037 -0.00362 -0.36 -0.006 -0.00534 -0.4 -0.5378 -0.9982 1081 SPBio_002022 Cc1c(N)c(=O)n(c2ccccc2)n1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F05 compound treatment -0.0017 -0.00162 -0.16 -0.002 -0.00134 -0.1 -0.185 -0.9757 885 SPBio_002023 Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F06 compound treatment -0.0047 -0.00462 -0.46 -0.006 -0.00534 -0.4 -0.6077 -0.9981 1274 SPBio_002024 C1CN2C[C@@H](N=C2S1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F07 compound treatment -0.0046 -0.00462 -0.46 -0.004 -0.00334 -0.25 -0.5008 -0.961 3326 SPBio_002025 CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F08 compound treatment -6.0E-4 -6.24E-4 -0.06 -0.003 -0.00234 -0.18 -0.1686 -0.9002 719 SPBio_002026 CN(CC#C)Cc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F09 compound treatment -0.0097 -0.00962 -0.95 -0.007 -0.00634 -0.48 -1.0097 -0.9497 3177110 SPBio_002027 NC(=Nc1nc(CSCC/C(=N/S(=O)(=O)N)/N)cs1)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F10 compound treatment 0.0043 0.00433 0.43 -0.003 -0.00237 -0.18 0.1752 0.3786 1062 SPBio_002028 COc1ccccc1OCC(O)COC(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F11 compound treatment 4.0E-4 3.76E-4 0.04 -0.004 -0.00334 -0.25 -0.1521 -0.5966 3189048 SPBio_002029 C[C@@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F12 compound treatment 0.0063 0.00638 0.63 0.005 0.00562 0.42 0.7447 0.9816 3189063 SPBio_002030 C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(N)n2)C(=O)N1S(=O)(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F13 compound treatment -0.0037 -0.00362 -0.36 -0.004 -0.00334 -0.25 -0.4311 -0.9854 3169 SPBio_002031 CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F14 compound treatment 0.0013 0.00138 0.14 0.002 0.00266 0.2 0.2379 0.9818 1337 SPBio_002032 Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F15 compound treatment -0.0047 -0.00467 -0.46 -0.002 -0.00133 -0.1 -0.397 -0.8414 3189049 SPBio_002033 C[N+]1([O-])[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F16 compound treatment 0.0303 0.0304 3.0 -0.006 -0.00534 -0.4 1.8336 0.6065 724 SPBio_002034 CCn1cc(C(=O)O)c(=O)c2ccc(C)nc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F17 compound treatment 0.0014 0.00138 0.14 0.001 0.00166 0.13 0.1846 0.9992 1386 SPBio_002035 CN1CC(c2ccccc2)c3cccc(N)c3C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F18 compound treatment 0.0063 0.00638 0.63 0.008 0.00866 0.65 0.907 0.9998 3045683 SPBio_002036 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F19 compound treatment 0.0024 0.00238 0.23 0.003 0.00366 0.28 0.3611 0.9967 907387 SPBio_002037 C[C@@]1(N[C@@H]2Cc3ccccc31)c4ccccc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F20 compound treatment 0.0043 0.00438 0.43 0.006 0.00662 0.5 0.6586 0.9973 1428839 SPBio_002038 C(Nc1ncnc2[nH]cnc12)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F21 compound treatment -6.0E-4 -6.24E-4 -0.06 0.002 0.00266 0.2 0.0983 0.4686 3069006 SPBio_002039 CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(O)c3ccccc3oc2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F22 compound treatment -6.0E-4 -6.24E-4 -0.06 -0.001 -3.4E-4 -0.03 -0.0617 -0.925 198 SPBio_002040 CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F23 mock treatment 4.0E-4 3.76E-4 0.04 0.0 6.6E-4 0.05 0.0615 0.9895 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 F24 mock treatment -0.0027 -0.00262 -0.26 -0.006 -0.00534 -0.4 -0.4681 -0.977 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G01 mock treatment 3.0E-4 3.75E-4 0.04 0.0 6.54E-4 0.05 0.0611 0.9899 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G02 mock treatment 0.0014 0.00138 0.14 -0.001 -3.4E-4 -0.03 0.0778 0.5633 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G03 compound treatment -0.0017 -0.00162 -0.16 -0.004 -0.00334 -0.25 -0.2916 -0.976 3058484 SPBio_002041 CC(CCC(=O)O)[C@H]1CCC2C3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G04 compound treatment 0.0053 0.00538 0.53 0.003 0.00366 0.28 0.5704 0.9538 3188935 SPBio_002042 OC[C@@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccc(cc1)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G05 compound treatment 0.0024 0.00238 0.23 0.003 0.00366 0.28 0.3611 0.9967 2069269 SPBio_002043 COC(=O)CCC(C)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G06 compound treatment 0.0053 0.00538 0.53 0.011 0.0116 0.88 0.9953 0.9709 2702 SPBio_002044 COc1cc(C)nn1c2nc(C)cc(OC)n2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G07 compound treatment 0.0063 0.00638 0.63 0.001 0.00166 0.13 0.5333 0.8316 3059164 SPBio_002045 CC(C)CCCC(C)C1CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G08 compound treatment -0.0017 -0.00162 -0.16 -0.005 -0.00434 -0.33 -0.345 -0.9458 697 SPBio_002046 Cn1c(=O)n(C)c2ncn(CC(O)CO)c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G09 compound treatment 0.0053 0.00538 0.53 -0.004 -0.00334 -0.25 0.1967 0.3349 2060111 SPBio_002047 COc1cc(O)c(cc1O)C(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G10 compound treatment -0.0216 -0.0216 -2.13 -0.014 -0.0134 -1.01 -2.2225 -0.9417 1061 SPBio_002048 Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G11 compound treatment -0.0127 -0.0126 -1.25 -0.014 -0.0134 -1.01 -1.595 -0.9946 2069324 SPBio_002049 COc1cc(/C=C/C(=O)O)cc(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G12 compound treatment 0.0073 0.00738 0.73 0.009 0.00962 0.73 1.028 1.0 1186 SPBio_002050 Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G13 compound treatment -0.0027 -0.00262 -0.26 -0.006 -0.00533 -0.4 -0.4676 -0.9772 1029168 SPBio_002051 CC(=O)c1ccc[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G14 compound treatment -0.0117 -0.0116 -1.15 -0.013 -0.0124 -0.93 -1.4717 -0.9949 3188936 SPBio_002052 COC1CC(O[C@@H]2[C@H](C)[C@H](OC3OC(C)CC(C3OC(=O)C)N(C)C)[C@H](C)CC4(CO4)C(=O)[C@@H](C)C(OC(=O)C)[C@H](C)[C@H](C)OC(=O)[C@@H]2C)OC(C)C1OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G15 compound treatment 0.0043 0.00438 0.43 0.003 0.00366 0.28 0.5006 0.9768 2060336 SPBio_002053 CCOc1cccc(c1)C(=O)c2ccc(O)c(O)c2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G16 compound treatment 0.0944 0.0944 9.31 0.09 0.0906 6.84 11.4203 0.9885 1259 SPBio_002054 CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G17 compound treatment 0.0053 0.00538 0.53 0.004 0.00463 0.35 0.6221 0.9795 2060244 SPBio_002055 COC1=CC(=O)OC(CCc2ccc(OC)c(OC)c2)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G18 compound treatment 0.0063 0.00638 0.63 0.006 0.00666 0.5 0.8001 0.9938 1270 SPBio_002056 C[N+](C)(C)CCCCCC[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G19 compound treatment -0.0027 -0.00262 -0.26 0.0 6.6E-4 0.05 -0.1478 -0.5607 2060081 SPBio_002057 CC(=CCc1c(O)cc(C)oc1=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G20 compound treatment 0.0053 0.00538 0.53 0.006 0.00666 0.5 0.7305 0.9996 1518 SPBio_002058 OC(=O)c1cc(ccc1O)c2ccc(F)cc2F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G21 compound treatment 0.0053 0.00538 0.53 0.009 0.00966 0.73 0.8904 0.9878 1091 SPBio_002059 CCc1cn(C2OCC(O)C2CO)c(=O)nc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G22 compound treatment 0.0034 0.00338 0.33 -0.002 -0.00134 -0.1 0.1639 0.471 1313 SPBio_002060 Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G23 mock treatment 4.0E-4 3.76E-4 0.04 0.003 0.00366 0.28 0.2216 0.7949 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 G24 mock treatment 0.0014 0.00138 0.14 -0.001 -3.4E-4 -0.03 0.0778 0.5633 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H01 mock treatment -0.0047 -0.00462 -0.46 -0.007 -0.00634 -0.48 -0.6612 -0.9997 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H02 mock treatment 0.0034 0.00338 0.33 0.004 0.00466 0.35 0.4842 0.9996 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H03 compound treatment 0.0073 0.00738 0.73 0.005 0.00566 0.43 0.8165 0.9678 929 SPBio_002061 Oc1ccc2C[C@H]3N(CC=C)CC[C@]4([C@H]5Oc1c24)[C@@]3(O)CCC5=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H04 compound treatment -0.0097 -0.00962 -0.95 -0.012 -0.0114 -0.86 -1.2788 -0.9988 1535 SPBio_002062 COc1ccc(OC)c(c1)C(O)CNC(=O)CN 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H05 compound treatment 0.0034 0.00338 0.33 0.002 0.00266 0.2 0.3773 0.9705 918 SPBio_002063 CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H06 compound treatment 0.0063 0.00638 0.63 0.004 0.00466 0.35 0.6934 0.9623 370 SPBio_002064 O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H07 compound treatment 0.0024 0.00238 0.23 0.003 0.00366 0.28 0.3611 0.9967 757 SPBio_002065 OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H08 compound treatment 0.0014 0.00138 0.14 -0.001 -3.4E-4 -0.03 0.0778 0.5633 1266 SPBio_002066 CCn1cc(C(=O)O)c(=O)c2cc3OCOc3cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H09 compound treatment -0.0047 -0.00462 -0.46 -0.005 -0.00438 -0.33 -0.5564 -0.9875 1092 SPBio_002067 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H10 compound treatment -0.0046 -0.00462 -0.46 -0.012 -0.0114 -0.86 -0.9295 -0.9562 1298 SPBio_002068 CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H11 compound treatment -0.0017 -0.00162 -0.16 0.001 0.00166 0.13 -0.0247 -0.1213 1261 SPBio_002069 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H12 compound treatment 0.0073 0.00738 0.73 0.002 0.00262 0.2 0.6543 0.8678 1482 SPBio_002070 CN1CCc2cc3OCOc3cc2C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H13 compound treatment 0.0014 0.00138 0.14 0.001 0.00166 0.13 0.1846 0.9992 3189051 SPBio_002071 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@]5([C@H]6Oc1c25)[C@@]3(O)CCC6=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H14 compound treatment 0.0063 0.00638 0.63 0.003 0.00366 0.28 0.6399 0.9317 1331 SPBio_002072 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H15 compound treatment 0.0033 0.00333 0.33 0.0 6.6E-4 0.05 0.2672 0.8052 1207 SPBio_002073 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H16 compound treatment 0.0014 0.00138 0.14 -0.002 -0.00134 -0.1 0.0244 0.1443 3189174 SPBio_002074 C[C@H](N)[C@H](O)c1cccc(O)c1.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H17 compound treatment 0.0053 0.00538 0.53 0.003 0.00366 0.28 0.5704 0.9538 1027 SPBio_002075 O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c54 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H18 compound treatment 3.0E-4 3.26E-4 0.03 0.0 6.3E-4 0.05 0.0564 0.9819 1523 SPBio_002076 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H19 compound treatment 0.0094 0.00938 0.92 0.004 0.00462 0.35 0.9006 0.9111 2241 SPBio_002077 COc1ccc(cc1C(=O)NCc2cccnc2)C(=O)NCc3cccnc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H20 compound treatment 0.0063 0.00633 0.62 0.007 0.00763 0.58 0.8485 0.9992 1436 SPBio_002078 CCCNC(C)C(=O)Nc1ccccc1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H21 compound treatment -0.0027 -0.00262 -0.26 0.0 6.6E-4 0.05 -0.1478 -0.5607 1002008 SPBio_002079 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H22 compound treatment 0.0103 0.0104 1.02 0.01 0.0107 0.8 1.2926 0.9929 383 SPBio_002080 CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccccc5cc4Cn3c2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H23 mock treatment -0.0017 -0.00167 -0.17 0.008 0.00866 0.65 0.3455 0.5124 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 H24 mock treatment -0.0056 -0.00562 -0.55 0.0 6.6E-4 0.05 -0.357 -0.641 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I01 mock treatment 0.0043 0.00438 0.43 -0.003 -0.00234 -0.18 0.1801 0.3861 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I02 mock treatment 0.0053 0.00538 0.53 0.003 0.00366 0.28 0.5702 0.9537 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I03 compound treatment 4.0E-4 3.76E-4 0.04 0.001 0.00163 0.12 0.1132 0.8812 3080395 SPBio_002081 CC(C)CCCC(C)C1CCC2C3CC[C@H]4CCCC[C@]4(C)C3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I04 compound treatment -6.0E-4 -6.24E-4 -0.06 -0.003 -0.00234 -0.18 -0.1684 -0.9003 779 SPBio_002082 CCN(CC)CCOC(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I05 compound treatment -6.0E-4 -6.24E-4 -0.06 -0.001 -3.43E-4 -0.03 -0.0618 -0.9261 3526 SPBio_002083 Oc1ccc2ccc(=O)oc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I06 compound treatment 0.0043 0.00438 0.43 0.0 6.54E-4 0.05 0.3401 0.7829 2847 SPBio_002084 CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I07 compound treatment -0.0017 -0.00162 -0.16 0.0 6.6E-4 0.05 -0.078 -0.4653 3198545 SPBio_002085 Oc1ccc(/C=C/C=O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I08 compound treatment -0.0017 -0.00162 -0.16 -0.003 -0.00234 -0.18 -0.2382 -0.9988 3068964 SPBio_002086 NCCc1cc[nH]n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I09 compound treatment 0.0014 0.00138 0.14 -0.001 -3.4E-4 -0.03 0.0778 0.5633 1008535 SPBio_002087 COc1cccc(C=O)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I10 compound treatment -0.0066 -0.00662 -0.65 -0.006 -0.00538 -0.41 -0.7492 -0.9739 1268 SPBio_002088 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I11 compound treatment -6.0E-4 -6.24E-4 -0.06 0.001 0.00166 0.13 0.0449 0.3223 762 SPBio_002089 COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I12 compound treatment 3.0E-4 3.75E-4 0.04 -0.001 -3.43E-4 -0.03 0.0078 0.1736 1000165 SPBio_002090 COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I13 compound treatment -0.0057 -0.00567 -0.56 -0.003 -0.00237 -0.18 -0.5223 -0.8889 3055245 SPBio_002091 CCC[C@@H]1CCCCN1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I14 compound treatment -0.0756 -0.0756 -7.46 -0.06 -0.0594 -4.48 -8.4446 -0.9703 1083 SPBio_002092 C(C1=NCCN1)c2cccc3ccccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I15 compound treatment -0.0017 -0.00167 -0.17 0.002 0.00263 0.2 0.0236 0.0915 1496 SPBio_002093 CSc1ccc2Sc3ccccc3CC(N4CCN(C)CC4)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I16 compound treatment 0.0014 0.00138 0.14 0.001 0.00165 0.12 0.1843 0.9991 1821 SPBio_002094 Clc1ccccc1CN2CCc3sccc3C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I17 compound treatment 0.0034 0.00338 0.33 0.004 0.00466 0.35 0.4842 0.9996 1280 SPBio_002095 NCCNC(=O)c1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I18 compound treatment 0.0173 0.0174 1.71 0.013 0.0136 1.03 1.9388 0.9701 819 SPBio_002096 CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I19 compound treatment 0.0063 0.00638 0.63 0.01 0.0106 0.8 1.0117 0.9928 1440 SPBio_002097 COc1ccc2cc(CCC(=O)C)ccc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I20 compound treatment 0.0043 0.00438 0.43 0.005 0.00562 0.42 0.6052 1.0 3188937 SPBio_002098 CCC(C)(CN(C)C)OC(=O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I21 compound treatment 0.0053 0.00538 0.53 0.006 0.00666 0.5 0.7303 0.9996 1069 SPBio_002099 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I22 compound treatment 0.0053 0.00538 0.53 0.005 0.00566 0.43 0.6769 0.9942 362 SPBio_002100 CCN(CC)CC(=O)Nc1c(C)cccc1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I23 mock treatment 0.0073 0.00738 0.73 0.01 0.0106 0.8 1.0812 0.9988 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 I24 mock treatment 0.0034 0.00338 0.33 0.004 0.00466 0.35 0.4842 0.9996 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J01 mock treatment -0.0057 -0.00562 -0.55 -0.005 -0.00434 -0.33 -0.6242 -0.9685 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J02 mock treatment -0.0046 -0.00462 -0.46 0.0 6.6E-4 0.05 -0.2873 -0.6262 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J03 compound treatment -0.0027 -0.00262 -0.26 -0.002 -0.00134 -0.1 -0.2548 -0.9163 1000273 SPBio_002101 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J04 compound treatment -6.0E-4 -6.24E-4 -0.06 0.002 0.00266 0.2 0.0983 0.4686 1068 SPBio_002102 CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(CN(C)C)o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J05 compound treatment 4.0E-4 3.76E-4 0.04 0.001 0.00165 0.12 0.1145 0.8793 3069040 SPBio_002103 CNCC(O)c1ccc(O)c(OC)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J06 compound treatment -0.0027 -0.00262 -0.26 -0.001 -3.46E-4 -0.03 -0.2016 -0.7746 3069077 SPBio_002104 OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J07 compound treatment 0.0014 0.00138 0.14 0.001 0.00166 0.13 0.1846 0.9992 3189053 SPBio_002105 CC(C)CCC(=O)O.C[C@]12CCC[C@H]2[C@H]3[C@H](CC1=O)[C@@]4(C)CCC(=O)C[C@H]4CC3=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J08 compound treatment 0.0024 0.00238 0.23 0.002 0.00266 0.2 0.3077 0.997 41 SPBio_002106 OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J09 compound treatment -0.0076 -0.00762 -0.75 -0.006 -0.00534 -0.4 -0.8168 -0.9573 1610 SPBio_002107 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J10 compound treatment -0.0097 -0.00967 -0.95 -0.005 -0.00437 -0.33 -0.908 -0.8994 752 SPBio_002108 CC1CCc2cc(F)cc3c(=O)c(cn1c23)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J11 compound treatment -0.0027 -0.00262 -0.26 0.0 6.6E-4 0.05 -0.1478 -0.5607 1465 SPBio_002109 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J12 compound treatment -0.0046 -0.00462 -0.46 0.004 0.00466 0.35 -0.0738 -0.128 1258696 SPBio_002110 Cc1c(Cl)cccc1Nc2ccccc2C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J13 compound treatment 0.0024 0.00238 0.23 0.003 0.00366 0.28 0.3611 0.9967 1387 SPBio_002111 OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J14 compound treatment -0.0027 -0.00262 -0.26 -0.003 -0.00234 -0.18 -0.3079 -0.9827 1123 SPBio_002112 Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J15 compound treatment -0.004 -0.00397 -0.39 -0.004 -0.00337 -0.25 -0.4571 -0.9781 3487389 SPBio_002113 Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J16 compound treatment -0.0107 -0.0107 -1.05 -0.005 -0.00437 -0.33 -0.9778 -0.8862 3189175 SPBio_002114 COC1=CC(=O)O[C@H](C1)/C=C/c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J17 compound treatment 0.0034 0.00338 0.33 0.002 0.00266 0.2 0.3775 0.9707 3189054 SPBio_002115 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]54CCC(=O)O5)[C@H]13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J18 compound treatment 0.0073 0.00738 0.73 0.019 0.0196 1.48 1.5616 0.9464 1201 SPBio_002116 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J19 compound treatment 0.0053 0.00538 0.53 0.003 0.00366 0.28 0.5704 0.9538 786 SPBio_002117 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J20 compound treatment -0.0017 -0.00162 -0.16 0.007 0.00766 0.58 0.2956 0.4927 734 SPBio_002118 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J21 compound treatment 0.0063 0.00638 0.63 0.007 0.00766 0.58 0.8534 0.9991 1000246 SPBio_002119 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)COC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J22 compound treatment 0.0043 0.00438 0.43 0.008 0.00866 0.65 0.7675 0.9797 1281686 SPBio_002120 COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J23 mock treatment 0.0053 0.00538 0.53 0.005 0.00566 0.43 0.6771 0.9943 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 J24 mock treatment -0.0067 -0.00662 -0.65 -0.004 -0.00334 -0.25 -0.6404 -0.9143 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K01 mock treatment 0.0023 0.00238 0.23 -0.002 -0.00134 -0.1 0.094 0.368 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K02 mock treatment -0.0066 -0.00662 -0.65 -0.005 -0.00434 -0.33 -0.6937 -0.9491 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K03 compound treatment -0.0037 -0.00362 -0.36 -0.001 -3.43E-4 -0.03 -0.2711 -0.7564 2060334 SPBio_002121 C[C@H]1[C@@H](O)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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K04 compound treatment -0.0017 -0.00162 -0.16 0.0 6.6E-4 0.05 -0.078 -0.4653 1010605 SPBio_002122 COP(=O)(OC)C(O)C(Cl)(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K05 compound treatment -0.0046 -0.00462 -0.46 0.002 0.00266 0.2 -0.1807 -0.3626 2060497 SPBio_002123 CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K06 compound treatment -0.0017 -0.00162 -0.16 0.003 0.00366 0.28 0.0821 0.2571 1019 SPBio_002124 NC(=O)N1c2ccccc2C=Cc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K07 compound treatment 0.0053 0.00538 0.53 0.011 0.0116 0.88 0.9953 0.9709 1765 SPBio_002125 CC1(C)NC(=O)N(C1=O)c2ccc([N+](=O)[O-])c(c2)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K08 compound treatment 0.0113 0.0113 1.12 0.007 0.00763 0.58 1.1973 0.9525 1401 SPBio_002126 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K09 compound treatment 0.0034 0.00338 0.33 0.002 0.00266 0.2 0.3773 0.9705 3057756 SPBio_002127 C1CCN2C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]2C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K10 compound treatment 4.0E-4 3.76E-4 0.04 0.003 0.00366 0.28 0.2216 0.7949 939 SPBio_002128 Cc1cccc(Nc2ccccc2C(=O)O)c1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K11 compound treatment -6.0E-4 -6.24E-4 -0.06 0.002 0.00266 0.2 0.0983 0.4686 3198546 SPBio_002129 CC(=CCC/C(=C/COC(=O)\C=C\c1ccccc1)/C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K12 compound treatment -0.0086 -0.00862 -0.85 -0.009 -0.00834 -0.63 -1.0467 -0.989 3186 SPBio_002130 CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K13 compound treatment 3.0E-4 3.75E-4 0.04 -0.004 -0.00334 -0.25 -0.1521 -0.5969 3198547 SPBio_002131 CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K14 compound treatment -0.0066 -0.00662 -0.65 0.002 0.00266 0.2 -0.3202 -0.4685 920 SPBio_002132 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K15 compound treatment 4.0E-4 3.76E-4 0.04 0.001 0.00166 0.13 0.1147 0.879 2060467 SPBio_002133 COc1ccc2C(=O)/C(=C\c3ccc(OC)c(OC)c3)/COc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K16 compound treatment 0.0024 0.00238 0.23 0.009 0.00966 0.73 0.6812 0.8896 3127 SPBio_002134 CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K17 compound treatment 4.0E-4 3.76E-4 0.04 0.007 0.00766 0.58 0.4351 0.7509 1024489 SPBio_002135 Cc1cc(O)cc(=O)o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K18 compound treatment -0.0037 -0.00362 -0.36 -0.004 -0.00334 -0.25 -0.4312 -0.9855 1318 SPBio_002136 CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K19 compound treatment 0.0053 0.00538 0.53 0.001 0.00166 0.13 0.4636 0.8508 3045136 SPBio_002137 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)C(CCC3C[C@@H](O)CC(=O)O3)[C@@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K20 compound treatment -0.0086 -0.00862 -0.85 -0.007 -0.00634 -0.48 -0.94 -0.963 884 SPBio_002138 CN(C)CCC(c1ccccc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K21 compound treatment 0.0023 0.00238 0.23 0.0 6.54E-4 0.05 0.2006 0.8377 794 SPBio_002139 Nc1cc(c[nH]c1=O)c2ccncc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K22 compound treatment 0.0014 0.00138 0.14 0.002 0.00266 0.2 0.238 0.9818 965 SPBio_002140 C(C1=NCCN1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K23 mock treatment -0.0017 -0.00162 -0.16 -0.004 -0.00334 -0.25 -0.2916 -0.976 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 K24 mock treatment -0.0057 -0.00562 -0.55 -0.005 -0.00434 -0.33 -0.6242 -0.9685 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L01 mock treatment -0.0097 -0.00962 -0.95 -0.007 -0.00634 -0.48 -1.0099 -0.9498 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L02 mock treatment -7.0E-4 -6.25E-4 -0.06 -0.008 -0.00734 -0.55 -0.4356 -0.7809 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L03 compound treatment -0.0046 -0.00462 -0.46 -0.004 -0.00334 -0.25 -0.5008 -0.961 72 SPBio_002141 Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L04 compound treatment 0.0043 0.00438 0.43 0.005 0.00566 0.43 0.6071 1.0 347 SPBio_002142 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L05 compound treatment 0.0014 0.00138 0.14 0.002 0.00266 0.2 0.2378 0.9819 4362 SPBio_002143 CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L06 compound treatment -0.0027 -0.00262 -0.26 -0.001 -3.46E-4 -0.03 -0.2016 -0.7746 3069079 SPBio_002144 CN1CCCN=C1/C=C/c2cccs2.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L07 compound treatment 0.0043 0.00438 0.43 0.01 0.0106 0.8 0.8722 0.9578 3487390 SPBio_002145 OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L08 compound treatment 0.0043 0.00433 0.43 0.005 0.00562 0.42 0.6017 1.0 1144 SPBio_002146 O=C1NCC2(CCN(CCc3ccccc3)CC2)O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L09 compound treatment -0.0077 -0.00762 -0.75 -0.003 -0.00234 -0.18 -0.6569 -0.8502 355 SPBio_002147 COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L10 compound treatment -0.021 -0.021 -2.07 -0.011 -0.0104 -0.78 -2.0165 -0.9116 796 SPBio_002148 Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L11 compound treatment -0.0027 -0.00262 -0.26 -0.002 -0.00134 -0.1 -0.2546 -0.916 464 SPBio_002149 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L12 compound treatment -6.0E-4 -6.24E-4 -0.06 0.005 0.00566 0.43 0.2585 0.599 1346 SPBio_002150 CCN(CC)CCNC(=O)COc1ccc(OC)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L13 compound treatment -7.0E-4 -6.25E-4 -0.06 0.001 0.00166 0.13 0.0449 0.3217 709 SPBio_002151 COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L14 compound treatment 0.0013 0.00138 0.14 0.007 0.00766 0.58 0.5047 0.85 1339 SPBio_002152 CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L15 compound treatment 0.0053 0.00538 0.53 0.015 0.0156 1.18 1.2088 0.9349 3189055 SPBio_002153 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L16 compound treatment 3.0E-4 3.75E-4 0.04 -0.004 -0.00334 -0.25 -0.1521 -0.5969 1350 SPBio_002154 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L17 compound treatment -0.0037 -0.00362 -0.36 0.003 0.00366 0.28 -0.0574 -0.127 1590 SPBio_002155 CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L18 compound treatment 0.0043 0.00438 0.43 -0.002 -0.00134 -0.1 0.2335 0.5266 699 SPBio_002156 OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L19 compound treatment -7.0E-4 -6.25E-4 -0.06 0.001 0.00166 0.13 0.0449 0.3217 3060388 SPBio_002157 CO/N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)/c3csc(N)n3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L20 compound treatment -6.0E-4 -6.24E-4 -0.06 0.005 0.00566 0.43 0.2586 0.5991 1209 SPBio_002158 CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L21 compound treatment -0.0017 -0.00162 -0.16 0.0 6.54E-4 0.05 -0.0784 -0.4677 1418 SPBio_002159 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L22 compound treatment -0.0377 -0.0377 -3.72 -0.012 -0.0113 -0.86 -3.2326 -0.8477 3069113 SPBio_002160 CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L23 mock treatment -7.0E-4 -6.25E-4 -0.06 0.003 0.00366 0.28 0.1516 0.536 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 L24 mock treatment -0.0067 -0.00662 -0.65 -0.004 -0.00334 -0.25 -0.6406 -0.9144 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M01 mock treatment 0.0043 0.00438 0.43 0.002 0.00266 0.2 0.4472 0.9394 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M02 mock treatment -0.0017 -0.00162 -0.16 0.005 0.00566 0.43 0.1889 0.4139 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M03 compound treatment -0.0047 -0.00467 -0.46 -0.005 -0.00433 -0.33 -0.5572 -0.9858 1110410 SPBio_002161 COc1ccc(C(=O)C)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M04 compound treatment 0.0093 0.00938 0.92 0.01 0.0106 0.8 1.2208 0.9975 3188938 SPBio_002162 CN1CCCN=C1/C=C/c2sccc2C.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M05 compound treatment 0.0103 0.0104 1.02 0.001 0.00166 0.13 0.8121 0.7877 1582 SPBio_002163 O=C1CCO1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M06 compound treatment -0.0037 -0.00362 -0.36 -0.003 -0.00234 -0.18 -0.3779 -0.9474 3068999 SPBio_002164 CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M07 compound treatment 0.0144 0.0144 1.42 0.007 0.00762 0.58 1.4095 0.9211 104 SPBio_002165 C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M08 compound treatment 0.0083 0.00838 0.83 0.011 0.0116 0.88 1.2045 0.9996 110 SPBio_002166 COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M09 compound treatment 0.0034 0.00338 0.33 0.0 6.6E-4 0.05 0.2707 0.8039 1000323 SPBio_002167 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M10 compound treatment -0.0037 -0.00362 -0.36 0.002 0.00266 0.2 -0.1108 -0.2702 436 SPBio_002168 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M11 compound treatment 0.0104 0.0104 1.02 0.007 0.00766 0.58 1.1326 0.9635 1328 SPBio_002169 OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M12 compound treatment 0.0024 0.00238 0.23 0.006 0.00666 0.5 0.5213 0.9397 1002 SPBio_002170 CN(C)CCOC(c1ccccc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M13 compound treatment 0.0043 0.00438 0.43 0.001 0.00166 0.13 0.3937 0.876 1510 SPBio_002171 CN(C)CCN(Cc1cccs1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M14 compound treatment -0.0066 -0.00662 -0.65 -0.005 -0.00438 -0.33 -0.6958 -0.9502 728 SPBio_002172 Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M15 compound treatment -0.0046 -0.00462 -0.46 0.0 6.6E-4 0.05 -0.2873 -0.6262 1318 SPBio_002173 CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M16 compound treatment -0.0066 -0.00662 -0.65 0.005 0.00562 0.42 -0.162 -0.208 814 SPBio_002174 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M17 compound treatment 0.0083 0.00838 0.83 0.005 0.00562 0.42 0.8842 0.952 3174608 SPBio_002175 COC1C(O)C(O)C(O)[C@@H](O)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M18 compound treatment -0.0057 -0.00562 -0.55 0.031 0.0316 2.39 1.2955 0.5286 3471598 SPBio_002176 CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M19 compound treatment 0.0103 0.0104 1.02 -0.002 -0.00134 -0.1 0.652 0.6339 1035250 SPBio_002177 CC(=O)c1c(O)cc(O)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M20 compound treatment 0.0033 0.00338 0.33 0.007 0.00766 0.58 0.6443 0.9656 1223 SPBio_002178 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M21 compound treatment 0.0153 0.0154 1.52 0.01 0.0107 0.8 1.6413 0.956 3080396 SPBio_002179 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M22 compound treatment 0.0033 0.00333 0.33 0.012 0.0126 0.95 0.9062 0.8987 971 SPBio_002180 CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M23 mock treatment 0.0103 0.0104 1.02 0.007 0.00766 0.58 1.1324 0.9634 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 M24 mock treatment -7.0E-4 -6.25E-4 -0.06 0.007 0.00766 0.58 0.3652 0.6282 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N01 mock treatment 0.0033 0.00338 0.33 0.0 6.54E-4 0.05 0.2703 0.8031 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N02 mock treatment -0.0027 -0.00262 -0.26 0.002 0.00266 0.2 -0.0412 -0.1258 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N03 compound treatment 0.0073 0.00738 0.73 0.007 0.00766 0.58 0.9232 0.9935 1000056 SPBio_002181 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N04 compound treatment 0.0094 0.00938 0.92 0.005 0.00566 0.43 0.956 0.9384 747 SPBio_002182 CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCNCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N05 compound treatment 0.0053 0.00538 0.53 0.005 0.00566 0.43 0.6771 0.9943 1301 SPBio_002183 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N06 compound treatment 0.0073 0.00738 0.73 0.008 0.00862 0.65 0.9746 0.9984 3189176 SPBio_002184 CCCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N07 compound treatment 0.0053 0.00538 0.53 0.011 0.0116 0.88 0.9953 0.9709 1360 SPBio_002185 Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N08 compound treatment 0.0144 0.0144 1.42 0.009 0.00962 0.73 1.5163 0.9517 816 SPBio_002186 Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N09 compound treatment 0.0024 0.00238 0.23 -0.001 -3.4E-4 -0.03 0.1476 0.6259 80 SPBio_002187 CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N10 compound treatment 0.0153 0.0153 1.51 0.015 0.0156 1.18 1.9034 0.9925 1181 SPBio_002188 Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N11 compound treatment 0.0014 0.00138 0.14 0.007 0.00766 0.58 0.5049 0.85 901 SPBio_002189 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N12 compound treatment 0.0103 0.0104 1.02 0.01 0.0106 0.8 1.2906 0.9927 1162 SPBio_002190 Cc1c(NC(=O)c2cccnc2)c(=O)n(c3ccccc3)n1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N13 compound treatment 0.0023 0.00238 0.23 0.01 0.0106 0.8 0.7326 0.8771 368 SPBio_002191 CC/C(=C(\c1ccccc1)/c2ccc(OCCN(C)C)cc2)/c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N14 compound treatment 0.0043 0.00438 0.43 0.006 0.00666 0.5 0.6608 0.9971 3069117 SPBio_002192 COC1CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N15 compound treatment 0.0014 0.00138 0.14 0.005 0.00566 0.43 0.398 0.8881 783 SPBio_002193 CO[C@@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]2Cc4cn(C)c5cccc1c45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N16 compound treatment 0.0104 0.0104 1.02 0.007 0.00762 0.58 1.1305 0.9629 386963 SPBio_002194 Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N17 compound treatment 0.0083 0.00838 0.83 0.011 0.0116 0.88 1.2045 0.9996 2784 SPBio_002195 C[C@@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@]1(O)CCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N18 compound treatment 0.0093 0.00938 0.92 0.011 0.0116 0.88 1.2741 0.9996 1075 SPBio_002196 CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N19 compound treatment 3.0E-4 3.75E-4 0.04 0.003 0.00366 0.28 0.2215 0.7947 3189056 SPBio_002197 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N20 compound treatment 0.0014 0.00138 0.14 0.001 0.00166 0.13 0.1846 0.9992 1016 SPBio_002198 CN1CCOC(c2ccccc2)c3ccccc3C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N21 compound treatment 0.0063 0.00638 0.63 0.002 0.00266 0.2 0.5865 0.8885 3189057 SPBio_002199 CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N22 compound treatment -0.0037 -0.00367 -0.36 -0.008 -0.00737 -0.56 -0.6497 -0.9784 3046406 SPBio_002200 Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N23 mock treatment 0.0053 0.00538 0.53 0.003 0.00366 0.28 0.5701 0.9537 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 N24 mock treatment -0.0017 -0.00162 -0.16 0.001 0.00166 0.13 -0.0247 -0.1213 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O01 mock treatment -0.0027 -0.00262 -0.26 -0.003 -0.00234 -0.18 -0.3079 -0.9827 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O02 mock treatment 0.0014 0.00138 0.14 -0.001 -3.4E-4 -0.03 0.0778 0.5633 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O03 compound treatment -0.0046 -0.00462 -0.46 -0.002 -0.00134 -0.1 -0.3941 -0.8435 1572 SPBio_002201 CCCC(C)C1(CC)C(=O)NC(=NC1=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O04 compound treatment 0.0024 0.00238 0.23 0.004 0.00466 0.35 0.4145 0.9805 1125 SPBio_002202 CCOC(=O)NNc1nncc2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O05 compound treatment 0.0053 0.00538 0.53 0.005 0.00562 0.42 0.675 0.9939 2060373 SPBio_002203 COc1c(O)cc2c(cc(=O)oc2c1OC)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O06 compound treatment 0.0014 0.00138 0.14 0.001 0.00166 0.13 0.1846 0.9992 1174 SPBio_002204 CN(C)CCCN1c2ccccc2CCc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O07 compound treatment -0.0077 -0.00767 -0.76 -0.008 -0.00737 -0.56 -0.9287 -0.9885 1019888 SPBio_002205 NCC(=O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O08 compound treatment 0.0034 0.00338 0.33 0.002 0.00262 0.2 0.3753 0.969 3188939 SPBio_002206 CC/1=C(CC(=O)O)c2cc(F)ccc2\C1=C\c3ccc(cc3)S(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O09 compound treatment -0.0056 -0.00562 -0.55 -0.005 -0.00434 -0.33 -0.624 -0.9685 2069272 SPBio_002207 CC1C[C@H]2CC(=O)[C@H]3CCCN4CCC[C@H]2[C@]34C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O10 compound treatment 3.0E-4 3.75E-4 0.04 0.002 0.00266 0.2 0.168 0.8237 1365 SPBio_002208 CN(C)CCC=C1c2ccccc2CCc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O11 compound treatment 4.0E-4 3.76E-4 0.04 0.003 0.00366 0.28 0.2216 0.7949 2060313 SPBio_002209 C/C/1=C/CC(C)(C)\C=C\C\C(=C\CC1)\C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O12 compound treatment 0.0033 0.00338 0.33 0.005 0.00566 0.43 0.5376 0.9924 872 SPBio_002210 CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O13 compound treatment 0.0043 0.00438 0.43 0.004 0.00466 0.35 0.5539 0.9949 2060368 SPBio_002211 CNC(Cc1c[nH]c2ccccc12)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O14 compound treatment 0.0013 0.00138 0.14 0.002 0.00266 0.2 0.2377 0.9819 969 SPBio_002212 CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O15 compound treatment 0.0033 0.00333 0.33 0.002 0.00263 0.2 0.3724 0.971 1635952 SPBio_002213 Cn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)C(O)c4ccccc4)C3=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O16 compound treatment 0.0043 0.00438 0.43 0.004 0.00466 0.35 0.554 0.9948 2080073 SPBio_002214 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O17 compound treatment 0.0073 0.00738 0.73 0.004 0.00466 0.35 0.7632 0.9444 1573 SPBio_002215 CCCC(C)C1(CC)C(=O)NC(=NC1=O)S 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O18 compound treatment -6.0E-4 -6.24E-4 -0.06 0.002 0.00266 0.2 0.0983 0.4686 731 SPBio_002216 CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O19 compound treatment -0.0037 -0.00362 -0.36 -0.001 -3.46E-4 -0.03 -0.2713 -0.7568 89599 SPBio_002217 OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O20 compound treatment 0.0014 0.00138 0.14 0.003 0.00366 0.28 0.2914 0.9465 1001312 SPBio_002218 C[N+]1(C)CCC(=C(c2ccccc2)c3ccccc3)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O21 compound treatment 0.0014 0.00138 0.14 0.0 6.54E-4 0.05 0.1309 0.9062 3198548 SPBio_002219 OC(=O)CCC/C=C\C[C@@H]1CO[C@@H](O[C@@H]1c2ccccc2O)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O22 compound treatment -0.0017 -0.00167 -0.17 0.0 6.3E-4 0.05 -0.0831 -0.4838 1053 SPBio_002220 COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O23 mock treatment -0.0037 -0.00362 -0.36 -0.001 -3.4E-4 -0.03 -0.2709 -0.756 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 O24 mock treatment 0.0013 0.00138 0.14 0.003 0.00366 0.28 0.2911 0.9465 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P01 mock treatment -0.0037 -0.00362 -0.36 -0.002 -0.00134 -0.1 -0.3245 -0.8732 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P02 mock treatment 0.0043 0.00438 0.43 0.006 0.00666 0.5 0.6606 0.9971 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P03 compound treatment 3.0E-4 3.75E-4 0.04 0.0 6.54E-4 0.05 0.0611 0.9899 3069044 SPBio_002221 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P04 compound treatment 0.0013 0.00138 0.14 0.002 0.00266 0.2 0.2377 0.9819 805 SPBio_002222 CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P05 compound treatment -6.0E-4 -6.24E-4 -0.06 -0.003 -0.00234 -0.18 -0.1684 -0.9003 3189058 SPBio_002223 COC1CC(O[C@H]2[C@H](C)[C@@H](OC3OC(C)CC(C3O)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)OC(C)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P06 compound treatment 0.0043 0.00438 0.43 0.005 0.00566 0.43 0.6074 1.0 3069144 SPBio_002224 C[N+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@H]32)OC(=O)[C@H](CO)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P07 compound treatment 0.0024 0.00238 0.23 0.003 0.00366 0.28 0.3611 0.9967 3189059 SPBio_002225 CCC(=O)OC1C(C)OC(CC1(C)O)OC2C(C)OC(O[C@H]3[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@@H]3OC)C(O)C2N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P08 compound treatment -0.0037 -0.00362 -0.36 -0.003 -0.00234 -0.18 -0.3778 -0.9472 1000200 SPBio_002226 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@@H](CO)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P09 compound treatment -0.0067 -0.00667 -0.66 -0.007 -0.00637 -0.48 -0.8056 -0.9881 3069045 SPBio_002227 CO[C@H]1[C@@H](CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(C2O)N(C)C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P10 compound treatment 0.0034 0.00338 0.33 0.003 0.00366 0.28 0.4309 0.9957 3487401 SPBio_002228 NC(=O)OCC(O)COc1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P11 compound treatment -7.0E-4 -6.25E-4 -0.06 0.004 0.00466 0.35 0.205 0.5744 3189060 SPBio_002229 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P12 compound treatment -0.0037 -0.00362 -0.36 0.002 0.00266 0.2 -0.1108 -0.2702 3189177 SPBio_002230 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=C)c3ccccc3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P13 compound treatment 0.0053 0.00538 0.53 0.007 0.00762 0.58 0.7818 0.9992 3189061 SPBio_002231 CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C/C=C(\C)/C(O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6\CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@@]76O)C)O2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P14 compound treatment -0.0027 -0.00262 -0.26 -0.004 -0.00334 -0.25 -0.3616 -0.9999 2997 SPBio_002232 COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P15 compound treatment 0.0023 0.00238 0.23 0.006 0.00666 0.5 0.521 0.9397 1257 SPBio_002233 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P16 compound treatment 4.0E-4 3.76E-4 0.04 0.004 0.00462 0.35 0.2729 0.7779 1323 SPBio_002234 CC1COc2c(N3CCN(C)CC3)c(F)cc4c(=O)c(cn1c24)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P17 compound treatment 0.0033 0.00338 0.33 0.03 0.0306 2.31 1.8699 0.8007 3069046 SPBio_002235 NCC1OC(COC[C@@H]2C(O)[C@H](OC3C(O)C(N)CC(N)C3OC4OC(CN)C(O)C(O)C4N)O[C@@H]2CO)C(N)C(O)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P18 compound treatment 4.0E-4 3.76E-4 0.04 0.002 0.00266 0.2 0.1681 0.8239 999 SPBio_002236 CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P19 compound treatment 4.0E-4 3.76E-4 0.04 0.003 0.00366 0.28 0.2216 0.7949 3069047 SPBio_002237 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)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P20 compound treatment -0.0287 -0.0287 -2.83 -0.026 -0.0254 -1.92 -3.3543 -0.982 1443 SPBio_002238 CN(C)CCOC(c1ccccc1)c2ccccc2C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P21 compound treatment 3.0E-4 3.75E-4 0.04 -0.002 -0.00134 -0.1 -0.0454 -0.4212 3189062 SPBio_002239 CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@@H](CC[C@H]3N)[C@@H](C)N)[C@@H]2O)OC[C@]1(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P22 compound treatment -0.0017 -0.00162 -0.16 -0.002 -0.00134 -0.1 -0.1848 -0.9755 1291 SPBio_002240 CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P23 mock treatment 0.0034 0.00338 0.33 0.007 0.00766 0.58 0.6444 0.9656 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2164 P24 mock treatment 0.0043 0.00438 0.43 0.003 0.00366 0.28 0.5006 0.9768 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A01 mock treatment 0.0013 0.00131 0.13 0.0041 0.00412 0.31 0.3114 0.9244 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A02 mock treatment -0.0047 -0.00469 -0.46 -0.0078 -0.00785 -0.59 -0.7456 -0.9925 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A03 compound treatment -0.0227 -0.0227 -2.24 -0.0198 -0.0198 -1.5 -2.6417 -0.981 1425 SPBio_002241 CC(N)COc1c(C)cccc1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A04 compound treatment -0.0047 -0.00469 -0.46 -0.0059 -0.00588 -0.44 -0.6404 -0.9998 3189183 SPBio_002242 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A05 compound treatment -0.0377 -0.0377 -3.72 -0.0318 -0.0318 -2.4 -4.3285 -0.9778 3101 SPBio_002243 Cc1c(oc2c(cccc2c1=O)C(=O)OCCN3CCCCC3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A06 compound treatment -0.0117 -0.0117 -1.15 -0.0119 -0.0119 -0.9 -1.449 -0.9923 3480229 SPBio_002244 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A07 compound treatment -0.0107 -0.0107 -1.05 -0.0108 -0.0108 -0.82 -1.3242 -0.9922 769 SPBio_002245 CCCCOc1ccc(CC(=O)NO)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A08 compound treatment -0.0477 -0.0477 -4.7 -0.0458 -0.0458 -3.46 -5.7734 -0.9886 1132 SPBio_002246 CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A09 compound treatment -0.0037 -0.00369 -0.36 -0.0069 -0.00688 -0.52 -0.6241 -0.9848 1469 SPBio_002247 CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A10 compound treatment -0.0057 -0.00569 -0.56 -0.0039 -0.00388 -0.29 -0.6034 -0.954 3068879 SPBio_002248 C[C@@H](N)[C@H](O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A11 compound treatment -0.0027 -0.00269 -0.27 -0.0049 -0.00488 -0.37 -0.4478 -0.987 858 SPBio_002249 OCC(O)CN1CCN(CC1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A12 compound treatment -0.0067 -0.00669 -0.66 -0.0079 -0.00788 -0.59 -0.8867 -0.9987 3068880 SPBio_002250 OCC(O)[C@H]1OC(=O)C(O)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A13 compound treatment -0.0177 -0.0177 -1.75 -0.0208 -0.0208 -1.57 -2.3456 -0.9986 3173239 SPBio_002251 CC(N/C(=N/C#N)/Nc1ccncc1)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A14 compound treatment -0.0197 -0.0197 -1.94 -0.0208 -0.0208 -1.57 -2.4858 -0.9946 800 SPBio_002252 C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A15 compound treatment -0.0057 -0.00569 -0.56 -0.0069 -0.00688 -0.52 -0.7641 -0.9993 1185085 SPBio_002253 CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A16 compound treatment -0.0047 -0.00471 -0.46 -0.0058 -0.00581 -0.44 -0.6381 -0.9996 3063 SPBio_002254 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A17 compound treatment -0.0047 -0.00469 -0.46 -0.0059 -0.00588 -0.44 -0.6409 -0.9998 448 SPBio_002255 Clc1cccc(Cl)c1N=C2NCCN2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A18 compound treatment -0.0067 -0.00669 -0.66 -0.0049 -0.00488 -0.37 -0.727 -0.9621 3173242 SPBio_002256 Nc1nc2cc(Cl)ccc2o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A19 compound treatment -7.0E-4 -6.92E-4 -0.07 -9.0E-4 -8.81E-4 -0.07 -0.0953 -0.9999 1101055 SPBio_002257 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A20 compound treatment 3.0E-4 3.15E-4 0.03 -0.0069 -0.00688 -0.52 -0.3451 -0.6636 1516 SPBio_002258 Nc1c2CCCCc2nc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A21 compound treatment -0.0027 -0.00269 -0.26 -0.0049 -0.00488 -0.37 -0.4476 -0.987 690 SPBio_002259 CC(C)NCC(O)COc1ccccc1CC=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A22 compound treatment -0.0017 -0.00169 -0.17 -0.0039 -0.00388 -0.29 -0.3244 -0.9641 3487402 SPBio_002260 CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A23 mock treatment -7.0E-4 -6.85E-4 -0.07 -0.0029 -0.00288 -0.22 -0.2013 -0.8853 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 A24 mock treatment -0.0047 -0.00469 -0.46 -0.0049 -0.00488 -0.37 -0.5871 -0.9936 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B01 mock treatment -0.0067 -0.00669 -0.66 -0.0118 -0.0118 -0.89 -1.0986 -0.9888 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B02 mock treatment -0.0027 -0.00269 -0.26 -0.0039 -0.00388 -0.29 -0.3942 -0.9988 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B03 compound treatment -0.0047 -0.00469 -0.46 -0.0049 -0.00488 -0.37 -0.5875 -0.9936 2717 SPBio_002261 CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B04 compound treatment -0.0067 -0.00669 -0.66 -0.0049 -0.00488 -0.37 -0.7265 -0.9621 429 SPBio_002262 NCCc1c[nH]c2ccc(O)cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B05 compound treatment -0.0167 -0.0167 -1.65 -0.0188 -0.0188 -1.42 -2.1698 -0.9974 1403 SPBio_002263 COC(=O)C1=CCCN(C)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B06 compound treatment -0.0407 -0.0407 -4.01 -0.0388 -0.0388 -2.93 -4.9115 -0.9881 1000242 SPBio_002264 CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B07 compound treatment -0.0267 -0.0267 -2.63 -0.0248 -0.0248 -1.88 -3.189 -0.9862 1000219 SPBio_002265 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B08 compound treatment -0.0107 -0.0107 -1.05 -0.0099 -0.00988 -0.75 -1.2725 -0.9856 3189438 SPBio_002266 Cc1n[nH]c(=O)[nH]c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B09 compound treatment -0.0347 -0.0347 -3.42 -0.0318 -0.0318 -2.4 -4.1193 -0.9851 1001661 SPBio_002267 CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B10 compound treatment -0.0057 -0.00569 -0.56 1.0E-4 1.19E-4 0.01 -0.3904 -0.6957 1077918 SPBio_002268 Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B11 compound treatment -0.0077 -0.00769 -0.76 -0.0059 -0.00588 -0.44 -0.8499 -0.9675 3189307 SPBio_002269 CC(C)CC(NC(=O)[C@H](C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B12 compound treatment -0.0167 -0.0167 -1.65 -0.0158 -0.0158 -1.2 -2.0097 -0.9877 3173761 SPBio_002270 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B13 compound treatment -0.0057 -0.00569 -0.56 -0.0029 -0.00288 -0.22 -0.55 -0.9147 3068973 SPBio_002271 C(CN1CCOCC1)Nc2cc3CCCc4ccccc4-c3nn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B14 compound treatment -0.0017 -0.00171 -0.17 -8.0E-4 -8.06E-4 -0.06 -0.1619 -0.9054 3189439 SPBio_002272 CC(C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CCN)C(=O)N[C@@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)C(C)C)[C@@H](C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B15 compound treatment -0.0087 -0.00869 -0.86 -0.0079 -0.00788 -0.59 -1.0264 -0.9841 1408 SPBio_002273 NC1(CC2CC3CC(C2)C1)C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B16 compound treatment -0.0087 -0.00869 -0.86 -0.0079 -0.00788 -0.59 -1.0262 -0.9841 2117312 SPBio_002274 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B17 compound treatment -0.0067 -0.00669 -0.66 -0.0029 -0.00288 -0.22 -0.6198 -0.8928 3068976 SPBio_002275 Clc1ccc(CCC(Cn2ccnc2)Sc3c(Cl)cccc3Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B18 compound treatment -0.0187 -0.0187 -1.84 -0.0188 -0.0188 -1.42 -2.3098 -0.9918 2911 SPBio_002276 CN(C)CC/C=C\1/c2ccccc2CSc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B19 compound treatment -0.0047 -0.00469 -0.46 0.0041 0.00412 0.31 -0.1066 -0.1913 26 SPBio_002277 CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B20 compound treatment -0.0177 -0.0177 -1.74 -0.0158 -0.0158 -1.2 -2.0794 -0.9831 3189440 SPBio_002278 CC(C)(O/N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccccc3)\c4csc(N)n4)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B21 compound treatment -0.0067 -0.00669 -0.66 -0.0049 -0.00488 -0.37 -0.7268 -0.9622 2081486 SPBio_002279 CC1OC(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=C\C=C\C=C\C=C\C=C\C=C\C=C2)C(O)C(N)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B22 compound treatment -0.0267 -0.0267 -2.63 -0.0238 -0.0238 -1.8 -3.1342 -0.9828 3060173 SPBio_002280 NC(=N)NCc1cccc(I)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B23 mock treatment -0.0107 -0.0107 -1.05 -0.0059 -0.00588 -0.44 -1.0594 -0.9261 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 B24 mock treatment -0.0057 -0.00569 -0.56 -0.0029 -0.00288 -0.22 -0.55 -0.9147 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C01 mock treatment 0.0123 0.0123 1.21 0.0031 0.00312 0.24 1.0258 0.8289 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C02 mock treatment 0.0143 0.0143 1.41 0.0061 0.00612 0.46 1.3251 0.8921 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C03 compound treatment 0.0063 0.00631 0.62 1.0E-4 1.24E-4 0.01 0.4471 0.7177 1282 SPBio_002281 NS(=O)(=O)c1cc2c(N=CNS2(=O)=O)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C04 compound treatment 0.0033 0.00331 0.33 0.0051 0.00512 0.39 0.5048 0.9965 907527 SPBio_002282 C(C#CCN1CCCC1)N2CCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C05 compound treatment 0.0023 0.00231 0.23 0.0021 0.00212 0.16 0.2746 0.9851 3036 SPBio_002283 OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C06 compound treatment -0.0137 -0.0137 -1.35 -0.0128 -0.0128 -0.97 -1.6395 -0.9865 1486 SPBio_002284 CC(C)NCC(O)COc1ccc(NC(=O)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C07 compound treatment 0.0043 0.00431 0.43 -9.0E-4 -8.76E-4 -0.07 0.254 0.5901 1000286 SPBio_002285 C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C08 compound treatment 0.0013 0.00131 0.13 0.0011 0.00112 0.08 0.1517 0.9789 3189185 SPBio_002286 Cc1cn([C@H]2C[C@@H](N=[N+]=N)[C@@H](CO)O2)c(=O)[nH]c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C09 compound treatment 0.0013 0.00131 0.13 0.0011 0.00112 0.08 0.1517 0.9789 809 SPBio_002287 CNCCC=C1c2ccccc2CCc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C10 compound treatment -0.0037 -0.00369 -0.36 -0.0019 -0.00188 -0.14 -0.3572 -0.9156 1192 SPBio_002288 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C11 compound treatment -0.0017 -0.00169 -0.17 -0.0039 -0.00388 -0.29 -0.3244 -0.9641 112 SPBio_002289 OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C12 compound treatment 0.0023 0.00231 0.23 1.0E-4 1.24E-4 0.01 0.1681 0.7356 3068881 SPBio_002290 CCCOc1ccccc1c2nc(=O)c3[nH]nnc3[nH]2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C13 compound treatment 0.0023 0.00231 0.23 -9.0E-4 -8.8E-4 -0.07 0.1143 0.4812 1000009 SPBio_002291 C/C(=C\C=C\C(=C/C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C14 compound treatment -0.0037 -0.00371 -0.37 -0.0048 -0.00481 -0.36 -0.515 -1.0 1471 SPBio_002292 CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C15 compound treatment 0.0033 0.00331 0.33 0.0031 0.00312 0.24 0.3975 0.9871 104 SPBio_002293 C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C16 compound treatment -0.0027 -0.00269 -0.26 -0.0048 -0.00485 -0.37 -0.446 -0.9874 2431 SPBio_002294 CCN(CC)CCNC(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C17 compound treatment -0.0057 -0.00569 -0.56 1.0E-4 1.24E-4 0.01 -0.3899 -0.6952 746 SPBio_002295 C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C18 compound treatment -0.0027 -0.00269 -0.27 -0.0049 -0.00488 -0.37 -0.4478 -0.9871 3189186 SPBio_002296 CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C19 compound treatment 0.0033 0.00331 0.33 1.0E-4 1.24E-4 0.01 0.2379 0.7271 1485 SPBio_002297 CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C20 compound treatment 0.0013 0.00131 0.13 -0.0029 -0.00288 -0.22 -0.0618 -0.2445 3368 SPBio_002298 NC(=N)NC(=O)Cc1c(Cl)cccc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C21 compound treatment 0.0073 0.00731 0.72 0.0041 0.00412 0.31 0.7304 0.9294 1000106 SPBio_002299 O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C22 compound treatment -0.0127 -0.0127 -1.25 -0.0208 -0.0208 -1.57 -1.9976 -0.9935 1001939 SPBio_002300 OCCN1CCN(CC/C=C\2/c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C23 mock treatment 0.0043 0.00431 0.43 0.0021 0.00212 0.16 0.4142 0.9111 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 C24 mock treatment -0.0017 -0.00169 -0.17 -0.0039 -0.00388 -0.29 -0.3244 -0.9641 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D01 mock treatment -0.0087 -0.00869 -0.86 -0.0019 -0.00188 -0.14 -0.7059 -0.8129 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D02 mock treatment 0.0043 0.00431 0.43 0.0021 0.00212 0.16 0.4139 0.9109 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D03 compound treatment 0.0043 0.00431 0.43 0.0061 0.00612 0.46 0.6277 0.9992 3189308 SPBio_002301 C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D04 compound treatment -0.0487 -0.0487 -4.8 -0.0538 -0.0538 -4.07 -6.2702 -0.9966 2120971 SPBio_002302 CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D05 compound treatment 0.0023 0.00231 0.23 1.0E-4 1.24E-4 0.01 0.1681 0.7356 2117676 SPBio_002303 COc1ccc(C[C@@H]2NC[C@@H](O)[C@@H]2OC(=O)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D06 compound treatment 0.0043 0.00429 0.42 0.0072 0.00719 0.54 0.6836 0.9924 3172716 SPBio_002304 NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D07 compound treatment -0.0127 -0.0127 -1.25 -0.0148 -0.0148 -1.12 -1.6778 -0.9985 1023517 SPBio_002305 NC(=O)Nc1ccc(cc1)[As](=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D08 compound treatment -0.0167 -0.0167 -1.65 -0.0188 -0.0188 -1.42 -2.1698 -0.9974 1782 SPBio_002306 COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D09 compound treatment -0.0087 -0.00869 -0.86 -9.0E-4 -8.76E-4 -0.07 -0.6525 -0.7594 360 SPBio_002307 Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D10 compound treatment -0.1312 -0.131 -12.94 -0.0068 -0.00681 -0.51 -9.5147 -0.7346 912 SPBio_002308 CCCc1cc(=O)[nH]c(=S)[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D11 compound treatment -0.0357 -0.0357 -3.52 -0.0328 -0.0328 -2.48 -4.2424 -0.9853 1064663 SPBio_002309 CC(=O)NC(CC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D12 compound treatment -0.0067 -0.00669 -0.66 -0.0078 -0.00785 -0.59 -0.8851 -0.9986 3189441 SPBio_002310 CC(C)N1CCN(CC1)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D13 compound treatment 0.0013 0.00131 0.13 0.0011 0.00112 0.08 0.1517 0.9789 3189309 SPBio_002311 CCOC(=O)OC(C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D14 compound treatment -7.0E-4 -6.85E-4 -0.07 0.0031 0.00312 0.24 0.1188 0.4847 3487464 SPBio_002312 CC(C(=O)O)c1ccc(s1)C(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D15 compound treatment -0.0087 -0.00869 -0.86 -9.0E-4 -8.76E-4 -0.07 -0.6525 -0.7594 1960 SPBio_002313 CC(=C)[C@@H]1CC[C@@]2(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)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D16 compound treatment -0.0167 -0.0167 -1.65 -0.0128 -0.0128 -0.97 -1.8497 -0.9682 3177604 SPBio_002314 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c7ccc(O)c(c7)-c8c(O)cc(O)cc8[C@H](NC6=O)C(=O)O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D17 compound treatment -0.0127 -0.0127 -1.25 -0.0128 -0.0128 -0.97 -1.5714 -0.9919 951 SPBio_002315 OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D18 compound treatment -0.0017 -0.00169 -0.17 0.0302 0.0302 2.28 1.4922 0.6537 1263 SPBio_002316 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D19 compound treatment 0.0013 0.00131 0.13 0.0041 0.00412 0.31 0.3119 0.9246 982 SPBio_002317 CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D20 compound treatment 0.0053 0.00531 0.52 0.0041 0.00412 0.31 0.5909 0.969 1489 SPBio_002318 CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D21 compound treatment -0.0037 -0.00369 -0.36 -0.0049 -0.00488 -0.37 -0.5173 -1.0 3189310 SPBio_002319 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D22 compound treatment -7.0E-4 -6.85E-4 -0.07 0.0011 0.00112 0.08 0.0122 0.1129 1113307 SPBio_002320 CCN(CC)C(=O)c1ccc(O)c(OC)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D23 mock treatment 0.0053 0.00531 0.52 0.0061 0.00612 0.46 0.6977 0.998 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 D24 mock treatment 3.0E-4 3.15E-4 0.03 0.0041 0.00412 0.31 0.2421 0.7738 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E01 mock treatment 0.0023 0.00231 0.23 0.0021 0.00212 0.16 0.2744 0.985 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E02 mock treatment 0.0023 0.00231 0.23 1.0E-4 1.19E-4 0.01 0.1676 0.7345 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E03 compound treatment 0.0013 0.00131 0.13 -9.0E-4 -8.8E-4 -0.07 0.0446 0.3063 3189178 SPBio_002321 C[C@@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E04 compound treatment -0.0057 -0.00569 -0.56 -0.0069 -0.00688 -0.52 -0.7636 -0.9993 1188 SPBio_002322 NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E05 compound treatment -0.0047 -0.00471 -0.46 -0.0038 -0.00381 -0.29 -0.5313 -0.9734 938 SPBio_002323 Cc1ccc(cc1)/C(=C\CN2CCCC2)/c3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E06 compound treatment -0.0047 -0.00471 -0.46 -0.0049 -0.00488 -0.37 -0.5884 -0.9934 1510 SPBio_002324 CN(C)CCN(Cc1cccs1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E07 compound treatment -0.0037 -0.00369 -0.36 0.0021 0.00212 0.16 -0.1437 -0.3616 3060494 SPBio_002325 CN(C)CC/C=C/1\c2ccccc2COc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E08 compound treatment -0.0037 -0.00369 -0.36 -0.0029 -0.00288 -0.22 -0.4106 -0.9697 844 SPBio_002326 CNCCCN1c2ccccc2CCc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E09 compound treatment -0.0037 -0.00369 -0.36 -0.0059 -0.00588 -0.44 -0.5707 -0.9951 1240 SPBio_002327 CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E10 compound treatment -0.0087 -0.00869 -0.86 -0.0039 -0.00388 -0.29 -0.8129 -0.8976 2203 SPBio_002328 CN(CCCOc1ccc(Cl)cc1Cl)CC#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E11 compound treatment -7.0E-4 -6.85E-4 -0.07 -0.0079 -0.00788 -0.59 -0.4684 -0.7824 3189179 SPBio_002329 CN(C)CCOC(c1ccccc1)c2ccccc2.Cn1c(=O)n(C)c2nc(Cl)[n-]c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E12 compound treatment 0.0043 0.00429 0.42 0.0022 0.00219 0.17 0.4167 0.9161 1390 SPBio_002330 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E13 compound treatment 3.0E-4 3.08E-4 0.03 -0.0019 -0.00188 -0.14 -0.0789 -0.5434 1112 SPBio_002331 CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E14 compound treatment -0.0097 -0.00969 -0.96 -0.0088 -0.00885 -0.67 -1.1477 -0.9847 1476 SPBio_002332 CNCCCC1(CCC2c3ccccc31)c4ccccc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E15 compound treatment -0.0067 -0.00669 -0.66 -0.0039 -0.00388 -0.29 -0.6732 -0.9331 1272 SPBio_002333 Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E16 compound treatment 0.0023 0.00231 0.23 0.0031 0.00312 0.24 0.3283 0.9999 3189187 SPBio_002334 Nc1nc(S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E17 compound treatment -7.0E-4 -6.85E-4 -0.07 1.0E-4 1.24E-4 0.01 -0.0411 -0.603 2359 SPBio_002335 CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@@H]32)n1c5ccccc45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E18 compound treatment -0.0057 -0.00569 -0.56 0.0072 0.00715 0.54 -0.0146 -0.0187 3068882 SPBio_002336 CN(C)CC/C=C\1/c2ccccc2Sc3ccc(Cl)cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E19 compound treatment 0.0033 0.00331 0.33 0.0011 0.00112 0.08 0.2912 0.8621 1393 SPBio_002337 CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E20 compound treatment -0.0017 -0.00169 -0.17 -9.0E-4 -8.77E-4 -0.07 -0.1645 -0.9183 1000292 SPBio_002338 C[C@H](NCCc1ccc(O)cc1)[C@H](O)c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E21 compound treatment 0.0233 0.0233 2.3 0.0051 0.00512 0.39 1.8998 0.8146 1215 SPBio_002339 CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E22 compound treatment -7.0E-4 -6.85E-4 -0.07 -8.0E-4 -8.36E-4 -0.06 -0.0924 -0.9994 417 SPBio_002340 CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E23 mock treatment 0.0033 0.00331 0.33 -9.0E-4 -8.8E-4 -0.07 0.1843 0.5522 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 E24 mock treatment -0.0027 -0.00269 -0.26 -0.0078 -0.00785 -0.59 -0.6061 -0.9342 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F01 mock treatment -0.0027 -0.00269 -0.27 -0.0039 -0.00388 -0.29 -0.3947 -0.9988 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F02 mock treatment 0.0013 0.00131 0.13 0.0112 0.0112 0.84 0.6868 0.8063 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F03 compound treatment -0.0087 -0.00869 -0.86 -0.0098 -0.00985 -0.74 -1.1314 -0.9975 998 SPBio_002341 CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F04 compound treatment -0.0127 -0.0127 -1.25 -0.0098 -0.00985 -0.74 -1.4104 -0.9691 1002022 SPBio_002342 NC(CCC(=O)O)C=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F05 compound treatment -0.0047 -0.00469 -0.46 -0.0068 -0.00685 -0.52 -0.6922 -0.9984 3069011 SPBio_002343 NCCC(=O)NCCc1c[nH]cn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F06 compound treatment -0.0077 -0.00769 -0.76 -0.0049 -0.00488 -0.37 -0.7963 -0.9449 2121358 SPBio_002344 OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F07 compound treatment 3.0E-4 3.08E-4 0.03 -9.0E-4 -8.81E-4 -0.07 -0.0255 -0.3492 1409 SPBio_002345 CCCC(C)(COC(=O)N)COC(=O)NC(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F08 compound treatment -0.0517 -0.0517 -5.1 -0.0488 -0.0488 -3.69 -6.2125 -0.9874 3487465 SPBio_002346 OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F09 compound treatment -0.0047 -0.00469 -0.46 -9.0E-4 -8.76E-4 -0.07 -0.3735 -0.8001 3189311 SPBio_002347 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F10 compound treatment -0.0047 -0.00469 -0.46 1.0E-4 1.24E-4 0.01 -0.3201 -0.6926 3189442 SPBio_002348 CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F11 compound treatment -0.0027 -0.00269 -0.26 -0.0029 -0.00288 -0.22 -0.3408 -0.9951 2117409 SPBio_002349 COc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)O)S(=O)(=O)O)c(OC)c4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F12 compound treatment -0.0097 -0.00969 -0.96 -0.0099 -0.00988 -0.75 -1.2027 -0.9925 1252 SPBio_002350 CC(C)NCC(O)c1cc(O)cc(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F13 compound treatment -0.0057 -0.00569 -0.56 -0.0069 -0.00688 -0.52 -0.7638 -0.9993 907205 SPBio_002351 COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F14 compound treatment -0.0127 -0.0127 -1.25 -0.0108 -0.0108 -0.82 -1.464 -0.9788 2080587 SPBio_002352 CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(=CCC3N)CN)C2O)OCC1(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F15 compound treatment -7.0E-4 -6.88E-4 -0.07 1.0E-4 1.19E-4 0.01 -0.0416 -0.6078 3173763 SPBio_002353 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F16 compound treatment -0.0117 -0.0117 -1.15 -0.0118 -0.0118 -0.89 -1.4474 -0.9921 353 SPBio_002354 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F17 compound treatment -0.0067 -0.00671 -0.66 -0.0068 -0.00681 -0.51 -0.831 -0.9922 3180147 SPBio_002355 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F18 compound treatment 0.0013 0.00129 0.13 0.0032 0.00319 0.24 0.2609 0.9558 2269 SPBio_002356 Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F19 compound treatment 0.0093 0.00931 0.92 0.0041 0.00412 0.31 0.8699 0.8966 3189312 SPBio_002357 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F20 compound treatment -0.0067 -0.00669 -0.66 -0.0089 -0.00888 -0.67 -0.9401 -1.0 2922 SPBio_002358 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F21 compound treatment -0.0037 -0.00369 -0.36 -0.0039 -0.00388 -0.29 -0.4639 -0.9942 3487430 SPBio_002359 COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c3cc(Cl)c(N)cc3OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F22 compound treatment -7.0E-4 -7.05E-4 -0.07 -0.0018 -0.00181 -0.14 -0.1456 -0.9512 1000807 SPBio_002360 CN1CCN(CC1)C(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F23 mock treatment 0.0013 0.00131 0.13 -0.0019 -0.00188 -0.14 -0.0089 -0.0463 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 F24 mock treatment 0.0013 0.00131 0.13 0.0011 0.00112 0.08 0.1515 0.9785 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G01 mock treatment -7.0E-4 -6.92E-4 -0.07 1.0E-4 1.24E-4 0.01 -0.0416 -0.6041 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G02 mock treatment 0.0013 0.00131 0.13 0.0021 0.00212 0.16 0.2049 0.9943 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G03 compound treatment 3.0E-4 3.08E-4 0.03 1.0E-4 1.19E-4 0.01 0.0279 0.8791 3069234 SPBio_002361 CC[C@]1(CCCN2CCc3c4[C@@H]21)C[C@](O)(C(=O)OC)n4c5ccccc35 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G04 compound treatment 0.0043 0.00431 0.43 -0.0049 -0.00488 -0.37 0.0407 0.0723 1332 SPBio_002362 NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G05 compound treatment -0.0027 -0.00269 -0.26 -0.0049 -0.00488 -0.37 -0.4478 -0.9869 2797 SPBio_002363 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G06 compound treatment 0.0043 0.00431 0.43 0.0031 0.00312 0.24 0.4678 0.9612 3480458 SPBio_002364 CC(CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G07 compound treatment 0.0023 0.00231 0.23 0.0051 0.00512 0.39 0.4345 0.9683 3176928 SPBio_002365 C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G08 compound treatment 3.0E-4 3.15E-4 0.03 1.0E-4 1.24E-4 0.01 0.0286 0.8816 1048 SPBio_002366 CCn1cc(C(=O)O)c(=O)c2cc(F)c(nc12)N3CCNCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G09 compound treatment -0.0067 -0.00671 -0.66 -0.0038 -0.00381 -0.29 -0.6708 -0.9303 3189180 SPBio_002367 C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G10 compound treatment 3.0E-4 3.15E-4 0.03 0.0011 0.00112 0.08 0.082 0.9071 1526 SPBio_002368 CC1CCCC(C)N1NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G11 compound treatment -0.0087 -0.00869 -0.86 -0.0069 -0.00688 -0.52 -0.9728 -0.9712 1172 SPBio_002369 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G12 compound treatment -0.0067 -0.00669 -0.66 -0.0118 -0.0118 -0.89 -1.0986 -0.9888 1105 SPBio_002370 CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G13 compound treatment 0.0083 0.00831 0.82 0.0102 0.0102 0.77 1.122 0.9994 404 SPBio_002371 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G14 compound treatment -0.0047 -0.00469 -0.46 -0.0039 -0.00388 -0.29 -0.5337 -0.9757 3068883 SPBio_002372 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G15 compound treatment -7.0E-4 -6.85E-4 -0.07 -0.0019 -0.00188 -0.14 -0.1479 -0.9427 1100 SPBio_002373 CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G16 compound treatment 0.0023 0.00231 0.23 1.0E-4 1.24E-4 0.01 0.1679 0.7356 3189189 SPBio_002374 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G17 compound treatment 0.0043 0.00431 0.43 0.0031 0.00312 0.24 0.4678 0.9612 3172 SPBio_002375 C(/C=C/c1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G18 compound treatment 0.0063 0.00631 0.62 0.0061 0.00612 0.46 0.7674 0.9892 1000342 SPBio_002376 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G19 compound treatment 0.0213 0.0213 2.1 0.0152 0.0152 1.14 2.2957 0.9591 1001967 SPBio_002377 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G20 compound treatment 0.0093 0.00931 0.92 0.0031 0.00312 0.24 0.8165 0.8607 1000343 SPBio_002378 COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G21 compound treatment 0.0083 0.00831 0.82 0.0061 0.00612 0.46 0.9069 0.9632 3177396 SPBio_002379 COc1ccc2nccc([C@H](O)[C@H]3CC4CCN3C[C@@H]4C=C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G22 compound treatment -0.0507 -0.0507 -5.0 -0.0538 -0.0538 -4.07 -6.41 -0.9947 764 SPBio_002380 Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)n3c(=O)[nH]c4ccccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G23 mock treatment -0.0027 -0.00269 -0.26 -0.0059 -0.00588 -0.44 -0.5009 -0.9696 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 G24 mock treatment -7.0E-4 -6.89E-4 -0.07 -0.0039 -0.00388 -0.29 -0.2552 -0.8486 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H01 mock treatment -0.0017 -0.00169 -0.17 1.0E-4 1.24E-4 0.01 -0.1109 -0.6661 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H02 mock treatment 0.0043 0.00431 0.43 0.0132 0.0132 0.99 1.0027 0.9284 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H03 compound treatment -0.0687 -0.0687 -6.78 -0.0608 -0.0608 -4.59 -8.0381 -0.982 1055132 SPBio_002381 COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H04 compound treatment 0.0063 0.00631 0.62 0.0061 0.00612 0.46 0.7669 0.9892 1095093 SPBio_002382 CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H05 compound treatment 0.0053 0.00531 0.52 0.0091 0.00912 0.69 0.8578 0.9909 3054850 SPBio_002383 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H06 compound treatment -0.0037 -0.00369 -0.36 -0.0049 -0.00488 -0.37 -0.5173 -1.0 2141046 SPBio_002384 CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H07 compound treatment 0.0053 0.00531 0.52 0.0051 0.00512 0.39 0.6443 0.9888 3189313 SPBio_002385 C[C@H](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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H08 compound treatment -0.0027 -0.00269 -0.26 -9.0E-4 -8.76E-4 -0.07 -0.234 -0.8573 3068692 SPBio_002386 CNCCC=C1c2ccccc2C=Cc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H09 compound treatment -0.0087 -0.00869 -0.86 -0.0079 -0.00788 -0.59 -1.0262 -0.9841 1037 SPBio_002387 CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H10 compound treatment -0.0077 -0.00769 -0.76 -0.0058 -0.00585 -0.44 -0.8481 -0.9669 889 SPBio_002388 NC(=O)c1cnccn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H11 compound treatment -7.0E-4 -6.85E-4 -0.07 -9.0E-4 -8.76E-4 -0.07 -0.0945 -0.9999 3069049 SPBio_002389 CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H12 compound treatment 0.0023 0.00231 0.23 0.0021 0.00212 0.16 0.2745 0.985 2900 SPBio_002390 CN1C(=O)OC(C)(C)C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H13 compound treatment 0.0013 0.00131 0.13 1.0E-4 1.24E-4 0.01 0.0981 0.7565 3189314 SPBio_002391 C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]2(O)CC[C@@H]1C5=CC(=O)OC5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H14 compound treatment -7.0E-4 -6.85E-4 -0.07 -0.0019 -0.00188 -0.14 -0.1479 -0.9427 1607 SPBio_002392 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H15 compound treatment -0.0947 -0.0947 -9.34 -0.0798 -0.0798 -6.03 -10.8667 -0.9776 3189315 SPBio_002393 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]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H16 compound treatment 0.0063 0.00631 0.62 0.0051 0.00512 0.39 0.7135 0.9737 3189443 SPBio_002394 CC1OC(OC/2CC3O[C@@](O)(CC(O)C3C(=O)O)CC(O)C(O)CCC(O)CC(O)CC(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(O)C(N)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H17 compound treatment 0.0043 0.00429 0.42 0.0062 0.00619 0.47 0.6303 0.9988 1000279 SPBio_002395 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H18 compound treatment -0.0037 -0.00369 -0.36 -0.0059 -0.00588 -0.44 -0.5707 -0.9951 3060147 SPBio_002396 CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H19 compound treatment 0.0023 0.00231 0.23 0.0031 0.00312 0.24 0.328 0.9999 3069053 SPBio_002397 CCOC(=O)n1ccn(C)c1=S 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H20 compound treatment 3.0E-4 3.15E-4 0.03 0.0041 0.00412 0.31 0.2421 0.7738 3068724 SPBio_002398 C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H21 compound treatment -0.0017 -0.00169 -0.17 -0.0029 -0.00288 -0.22 -0.2715 -0.9914 1001924 SPBio_002399 C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H22 compound treatment 0.0063 0.00631 0.62 0.0041 0.00412 0.31 0.6604 0.9485 1448 SPBio_002400 OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H23 mock treatment 0.0033 0.00331 0.33 0.0041 0.00412 0.31 0.4509 0.9997 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 H24 mock treatment 0.0013 0.00131 0.13 -9.0E-4 -8.81E-4 -0.07 0.0442 0.3047 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I01 mock treatment 0.0023 0.00231 0.23 -0.0019 -0.00188 -0.14 0.0613 0.2283 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I02 mock treatment -0.0017 -0.00169 -0.17 -0.0029 -0.00288 -0.22 -0.2712 -0.9912 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I03 compound treatment -0.0067 -0.00671 -0.66 2.0E-4 1.94E-4 0.01 -0.4573 -0.6912 1000235 SPBio_002401 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I04 compound treatment -0.0077 -0.00769 -0.76 -0.0059 -0.00588 -0.44 -0.8499 -0.9675 3189191 SPBio_002402 CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I05 compound treatment -0.0017 -0.00169 -0.17 0.0041 0.00412 0.31 0.1027 0.2908 1033 SPBio_002403 CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I06 compound treatment 0.0023 0.00231 0.23 0.0011 0.00112 0.08 0.2215 0.9092 3068885 SPBio_002404 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I07 compound treatment -0.0067 -0.00669 -0.66 -0.0029 -0.00288 -0.22 -0.6198 -0.8928 1019722 SPBio_002405 CN1CCCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I08 compound treatment 0.0043 0.00431 0.43 0.0022 0.00215 0.16 0.416 0.9129 1352 SPBio_002406 COc1cc2CC[C@H](NC(=O)C)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I09 compound treatment 0.0063 0.00631 0.62 0.0061 0.00612 0.46 0.7669 0.9892 1164 SPBio_002407 CCN(CC)C(=O)N1CCN(C)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I10 compound treatment -7.0E-4 -6.85E-4 -0.07 -0.0058 -0.00585 -0.44 -0.3598 -0.806 3177235 SPBio_002408 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]3[C@H]1Cc4cn(C)c5cccc3c45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I11 compound treatment 3.0E-4 3.15E-4 0.03 0.0162 0.0162 1.22 0.8844 0.7249 1000071 SPBio_002409 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I12 compound treatment 0.0123 0.0123 1.21 0.0102 0.0102 0.77 1.4008 0.9754 3189192 SPBio_002410 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I13 compound treatment -0.0037 -0.00369 -0.36 -0.0019 -0.00188 -0.14 -0.3571 -0.9155 1158 SPBio_002411 C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I14 compound treatment 0.0123 0.0123 1.21 0.0081 0.00812 0.61 1.2927 0.9499 701 SPBio_002412 Nc1c(Br)cc(Br)cc1CNC2CCC(O)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I15 compound treatment -7.0E-4 -6.85E-4 -0.07 -0.0019 -0.00188 -0.14 -0.1479 -0.9427 3480597 SPBio_002413 CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I16 compound treatment 0.0053 0.00531 0.52 0.0021 0.00212 0.16 0.4841 0.883 705 SPBio_002414 CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I17 compound treatment -7.0E-4 -6.85E-4 -0.07 -9.0E-4 -8.76E-4 -0.07 -0.0945 -0.9999 1180 SPBio_002415 Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I18 compound treatment 0.0063 0.00629 0.62 0.0062 0.00619 0.47 0.7698 0.9902 1000048 SPBio_002416 CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I19 compound treatment 0.0053 0.00531 0.52 0.0061 0.00612 0.46 0.6977 0.998 830 SPBio_002417 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I20 compound treatment 0.0033 0.00331 0.33 0.0061 0.00612 0.46 0.5577 0.9856 1504 SPBio_002418 O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I21 compound treatment 0.0023 0.00231 0.23 0.0021 0.00212 0.16 0.2746 0.9851 753 SPBio_002419 O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I22 compound treatment 0.0203 0.0203 2.0 0.0182 0.0182 1.37 2.3861 0.9828 2873 SPBio_002420 CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I23 mock treatment 0.0023 0.00231 0.23 1.0E-4 1.19E-4 0.01 0.1676 0.7345 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 I24 mock treatment 0.0043 0.00431 0.43 0.0021 0.00212 0.16 0.4139 0.9109 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J01 mock treatment 0.0043 0.00431 0.43 -0.0079 -0.00788 -0.59 -0.1195 -0.1634 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J02 mock treatment -0.0037 -0.00369 -0.36 -0.0029 -0.00288 -0.22 -0.4107 -0.9698 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J03 compound treatment -0.0137 -0.0137 -1.35 -0.0118 -0.0118 -0.89 -1.5874 -0.98 386 SPBio_002421 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CC[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J04 compound treatment 3.0E-4 3.08E-4 0.03 0.0011 0.00112 0.08 0.0812 0.9046 821975 SPBio_002422 C[C@H](CCC(=O)NCC(=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]3C[C@H](O)[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J05 compound treatment -0.0107 -0.0107 -1.05 -0.0068 -0.00685 -0.52 -1.1107 -0.9462 2078 SPBio_002423 CCCCc1ccc(nc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J06 compound treatment -7.0E-4 -6.85E-4 -0.07 0.0061 0.00612 0.46 0.2792 0.5974 3189444 SPBio_002424 CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C4NC(=O)c5csc(n5)C(NC(=O)C6CSC(=N6)/C(=C\C)/NC(=O)C(NC(=O)c7csc(n7)C8(CCC(=NC8c9csc4n9)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)C(C)(O)C(C)O)C(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J07 compound treatment 0.0023 0.00231 0.23 0.0011 0.00112 0.08 0.2215 0.9092 3189316 SPBio_002425 COc1ccc(cc1)c2ccc(=N)n(CCCC(=O)O)n2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J08 compound treatment -0.0067 -0.00669 -0.66 -0.0019 -0.00188 -0.14 -0.5664 -0.8398 3068727 SPBio_002426 C[S+](=N)([O-])CC[C@H](N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J09 compound treatment -0.0037 -0.00369 -0.36 -0.0029 -0.00288 -0.22 -0.4105 -0.9696 3189317 SPBio_002427 C[C@@H]1C(=O)O[C@H]2CC34[C@H]5C[C@@H](C(C)(C)C)C46[C@@H](O)C(=O)O[C@H]6OC3(C(=O)O5)[C@@]12O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J10 compound treatment -0.0057 -0.00569 -0.56 -0.0019 -0.00188 -0.14 -0.4966 -0.8587 737 SPBio_002428 c1nc(cs1)c2nc3ccccc3[nH]2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J11 compound treatment 0.0083 0.00831 0.82 0.0041 0.00412 0.31 0.8001 0.912 716 SPBio_002429 CN(C)CCC=C1c2ccccc2C=Cc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J12 compound treatment 3.0E-4 3.15E-4 0.03 0.0032 0.00315 0.24 0.1904 0.7926 3189445 SPBio_002430 CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c4c(O)c(/C=N/N5CCN(C)CC5)c(NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(O)c4c(O)c3C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J13 compound treatment -0.0027 -0.00269 -0.26 -0.0029 -0.00288 -0.22 -0.3408 -0.9951 1300555 SPBio_002431 CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J14 compound treatment -0.0057 -0.00569 -0.56 -0.0039 -0.00388 -0.29 -0.6034 -0.954 803 SPBio_002432 CCc1cc(ccn1)C(=S)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J15 compound treatment -0.0017 -0.00169 -0.17 -0.0019 -0.00188 -0.14 -0.2177 -0.9968 2080102 SPBio_002433 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J16 compound treatment 0.0013 0.00131 0.13 0.0091 0.00912 0.69 0.5781 0.8252 900 SPBio_002434 CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J17 compound treatment 0.0043 0.00429 0.42 0.0052 0.00519 0.39 0.5769 0.9993 3069083 SPBio_002435 Nc1c2ccccc2nc3c(O)cccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J18 compound treatment 0.0063 0.00631 0.62 0.0071 0.00712 0.54 0.8203 0.9973 3068731 SPBio_002436 CC(=O)Oc1cc(ccc1C(=O)O)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J19 compound treatment -0.0047 -0.00469 -0.46 -0.0079 -0.00788 -0.59 -0.7472 -0.9922 992 SPBio_002437 CC[C@H]1[C@@H](Cc2cncn2C)COC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J20 compound treatment 0.0033 0.00331 0.33 0.0042 0.00415 0.31 0.453 0.9998 4379 SPBio_002438 CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J21 compound treatment 0.0083 0.00831 0.82 0.0081 0.00812 0.61 1.0132 0.9898 1265 SPBio_002439 Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(Cl)cccc4Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J22 compound treatment -0.0017 -0.00169 -0.17 -9.0E-4 -8.76E-4 -0.07 -0.1643 -0.9184 1470254 SPBio_002440 Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J23 mock treatment 0.0013 0.00131 0.13 0.0031 0.00312 0.24 0.2578 0.9598 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 J24 mock treatment -0.0017 -0.00169 -0.17 1.0E-4 1.19E-4 0.01 -0.1114 -0.6678 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K01 mock treatment -0.0097 -0.00969 -0.96 -0.0079 -0.00788 -0.59 -1.0959 -0.974 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K02 mock treatment -0.0057 -0.00569 -0.56 0.0011 0.00112 0.08 -0.3366 -0.5934 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K03 compound treatment -0.0057 -0.00569 -0.56 -0.0069 -0.00688 -0.52 -0.7641 -0.9993 3068677 SPBio_002441 OC1=NC(=O)CN1/N=C/c2ccc(o2)c3ccc(cc3)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K04 compound treatment -0.0567 -0.0567 -5.59 -0.0548 -0.0548 -4.14 -6.8816 -0.9891 771 SPBio_002442 CN1CCC(=C2c3ccsc3C(=O)Cc4ccccc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K05 compound treatment -0.0567 -0.0567 -5.59 -0.0328 -0.0328 -2.48 -5.7071 -0.9331 850 SPBio_002443 Clc1cccc(c1)N2CCN(CCCn3nc4ccccn4c3=O)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K06 compound treatment 0.0063 0.00631 0.62 -0.0268 -0.0268 -2.03 -0.9924 -0.4682 907283 SPBio_002444 NC(=N)N1CCc2ccccc2C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K07 compound treatment -0.0027 -0.00271 -0.27 -8.0E-4 -8.06E-4 -0.06 -0.2317 -0.8466 936 SPBio_002445 OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K08 compound treatment -0.0047 -0.00471 -0.46 -0.0018 -0.00184 -0.14 -0.4262 -0.8799 1000064 SPBio_002446 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K09 compound treatment -0.0027 -0.00271 -0.27 2.0E-4 1.94E-4 0.01 -0.1783 -0.6672 1060 SPBio_002447 CN1CCC(=C2c3ccccc3Sc4ccccc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K10 compound treatment -0.0017 -0.00171 -0.17 0.0032 0.00319 0.24 0.0516 0.1755 3189193 SPBio_002448 CC[C@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K11 compound treatment -0.0027 -0.00269 -0.26 -0.0019 -0.00188 -0.14 -0.2874 -0.957 1069 SPBio_002449 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K12 compound treatment -0.0067 -0.00669 -0.66 -0.0029 -0.00288 -0.22 -0.6198 -0.8928 1496 SPBio_002450 CSc1ccc2Sc3ccccc3CC(N4CCN(C)CC4)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K13 compound treatment -0.0027 -0.00269 -0.26 -9.0E-4 -8.77E-4 -0.07 -0.2341 -0.8574 1113 SPBio_002451 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(=O)O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K14 compound treatment -0.0067 -0.00669 -0.66 -0.0059 -0.00588 -0.44 -0.7799 -0.9814 3068886 SPBio_002452 CC(C)/N=c/1\cc2n(c3ccc(Cl)cc3)c4ccccc4nc2cc1Nc5ccc(Cl)cc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K15 compound treatment 0.0053 0.00531 0.52 0.0051 0.00512 0.39 0.6443 0.9888 3068682 SPBio_002453 CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K16 compound treatment -0.0067 -0.00669 -0.66 -9.0E-4 -8.77E-4 -0.07 -0.5133 -0.7741 975 SPBio_002454 CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K17 compound treatment 0.0053 0.00529 0.52 0.0052 0.00519 0.39 0.6466 0.99 1348 SPBio_002455 Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K18 compound treatment 0.0023 0.00231 0.23 0.0011 0.00112 0.08 0.2215 0.9092 1000105 SPBio_002456 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K19 compound treatment 0.0043 0.00431 0.43 0.0092 0.00915 0.69 0.7897 0.9729 3055129 SPBio_002457 CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@@]21C)c5ccc(cc5)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K20 compound treatment 0.0083 0.00831 0.82 0.0071 0.00712 0.54 0.9601 0.979 1000143 SPBio_002458 NC(Cn1ccc(=O)c(O)c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K21 compound treatment -7.0E-4 -6.89E-4 -0.07 -0.0069 -0.00688 -0.52 -0.4153 -0.7929 1045066 SPBio_002459 O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K22 compound treatment -0.0877 -0.0877 -8.65 -0.1243 -0.124 -9.39 -12.7545 -0.9992 2777 SPBio_002460 COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K23 mock treatment 3.0E-4 3.08E-4 0.03 -0.0019 -0.00188 -0.14 -0.0789 -0.5434 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 K24 mock treatment -0.0067 -0.00669 -0.66 -0.0069 -0.00688 -0.52 -0.8338 -0.993 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L01 mock treatment -0.0047 -0.00469 -0.46 -0.0039 -0.00388 -0.29 -0.5337 -0.9757 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L02 mock treatment -0.0067 -0.00669 -0.66 -0.0049 -0.00488 -0.37 -0.727 -0.9621 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L03 compound treatment 0.0023 0.00231 0.23 -0.0039 -0.00388 -0.29 -0.0455 -0.1225 1055159 SPBio_002461 NC(CC(=O)c1cccc(O)c1N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L04 compound treatment -0.0107 -0.0107 -1.05 -0.0079 -0.00788 -0.59 -1.1659 -0.9634 907463 SPBio_002462 Cc1nc2ccccn2c(=O)c1CCN3CCC(CC3)C(=O)c4ccc(F)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L05 compound treatment -0.0067 -0.00669 -0.66 -0.0029 -0.00288 -0.22 -0.6198 -0.8928 3189433 SPBio_002463 OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L06 compound treatment -0.0217 -0.0217 -2.14 -0.0198 -0.0198 -1.5 -2.5719 -0.9848 1024517 SPBio_002464 COc1cc2CCNC(C)c2cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L07 compound treatment -0.0097 -0.00969 -0.96 -0.0039 -0.00388 -0.29 -0.8824 -0.8832 3069088 SPBio_002465 COC1=C[C@@H]2[C@@H](C3=C2c4c(OC)c(OC)c(OC)cc4CC[C@@H]3NC(=O)C)C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L08 compound treatment -0.0097 -0.00971 -0.96 -0.0058 -0.00584 -0.44 -0.9886 -0.9379 1193 SPBio_002466 CCOc1ccc(NC(=O)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L09 compound treatment -0.0067 -0.00669 -0.66 -9.0E-4 -8.76E-4 -0.07 -0.513 -0.7741 1134 SPBio_002467 CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L10 compound treatment -0.0307 -0.0307 -3.03 -0.0138 -0.0138 -1.05 -2.8799 -0.8992 3474094 SPBio_002468 OC1=C(C2CCC(CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L11 compound treatment -0.0027 -0.00269 -0.26 0.0031 0.00312 0.24 -0.0205 -0.0579 3174101 SPBio_002469 CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4.OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L12 compound treatment 0.0073 0.00731 0.72 0.0082 0.00815 0.62 0.9455 0.9969 3058468 SPBio_002470 COc1ccc(OC)c(c1)C(O)C(C)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L13 compound treatment 3.0E-4 3.15E-4 0.03 1.0E-4 1.24E-4 0.01 0.0286 0.8816 3174345 SPBio_002471 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N.OC(=O)c1cc(ccc1O)S(=O)(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L14 compound treatment -0.0097 -0.00969 -0.96 -0.0078 -0.00785 -0.59 -1.0943 -0.9736 1001858 SPBio_002472 CC(C)NC[C@H](O)COc1ccc(CC(=O)N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L15 compound treatment 0.0033 0.00331 0.33 0.0021 0.00212 0.16 0.3441 0.9462 1035 SPBio_002473 Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L16 compound treatment 0.0303 0.0303 2.99 0.0252 0.0252 1.9 3.4573 0.976 904 SPBio_002474 NC(=O)CN1CCCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L17 compound treatment 0.0023 0.00229 0.23 0.0052 0.00519 0.39 0.4374 0.9659 988 SPBio_002475 COc1ccc2[nH]cc(CCNC(=O)C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L18 compound treatment 0.0033 0.00331 0.33 1.0E-4 1.24E-4 0.01 0.2376 0.7272 948 SPBio_002476 O=C1C(C(=O)c2ccccc12)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L19 compound treatment -0.0027 -0.00269 -0.26 1.0E-4 1.24E-4 0.01 -0.1806 -0.6816 449 SPBio_002477 CC1=CC(=O)c2ccccc2C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L20 compound treatment 0.0013 0.00131 0.13 0.0031 0.00312 0.24 0.2581 0.9602 3189446 SPBio_002478 COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3CCC(NC(=O)C)c4cc(=O)c(SC)ccc4-c3c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L21 compound treatment -7.0E-4 -6.85E-4 -0.07 0.0041 0.00412 0.31 0.1724 0.5411 3069122 SPBio_002479 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O.COC(N)(CO)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L22 compound treatment 3.0E-4 3.08E-4 0.03 0.0021 0.00212 0.16 0.1347 0.8265 3068774 SPBio_002480 Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L23 mock treatment -0.0017 -0.00169 -0.17 -9.0E-4 -8.81E-4 -0.07 -0.1648 -0.9188 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 L24 mock treatment 0.0013 0.00131 0.13 1.0E-4 1.19E-4 0.01 0.0978 0.7546 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M01 mock treatment 3.0E-4 3.08E-4 0.03 0.0011 0.00112 0.08 0.0813 0.9045 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M02 mock treatment 3.0E-4 3.08E-4 0.03 0.0051 0.00512 0.39 0.2948 0.7603 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M03 compound treatment 0.0023 0.00231 0.23 0.0021 0.00212 0.16 0.2744 0.985 1608 SPBio_002481 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M04 compound treatment -0.0027 -0.00269 -0.27 0.0011 0.00112 0.08 -0.1278 -0.4591 907366 SPBio_002482 Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M05 compound treatment 0.0033 0.00331 0.33 -0.0029 -0.00288 -0.22 0.0775 0.1974 3068878 SPBio_002483 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M06 compound treatment -0.0047 -0.00469 -0.46 -9.0E-4 -8.8E-4 -0.07 -0.374 -0.8004 3480396 SPBio_002484 CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M07 compound treatment 0.0093 0.00931 0.92 0.0082 0.00815 0.62 1.085 0.981 907526 SPBio_002485 CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc4ccccc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M08 compound treatment 0.0013 0.00131 0.13 0.0172 0.0172 1.3 1.0075 0.7741 86 SPBio_002486 COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M09 compound treatment 0.0063 0.00631 0.62 0.0021 0.00212 0.16 0.5539 0.8611 773 SPBio_002487 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M10 compound treatment -0.0087 -0.00869 -0.86 -0.0039 -0.00388 -0.29 -0.8132 -0.8978 1210 SPBio_002488 CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M11 compound treatment 0.0063 0.00631 0.62 1.0E-4 1.24E-4 0.01 0.4471 0.7177 1357 SPBio_002489 CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M12 compound treatment 0.0073 0.00731 0.72 0.0092 0.00915 0.69 0.9989 0.9998 1135 SPBio_002490 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M13 compound treatment 0.0083 0.00831 0.82 0.0051 0.00512 0.39 0.8535 0.9412 927 SPBio_002491 CN1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M14 compound treatment 0.0063 0.00631 0.62 0.0101 0.0101 0.76 0.9809 0.9948 907273 SPBio_002492 Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M15 compound treatment 0.0043 0.00431 0.43 0.0021 0.00212 0.16 0.4139 0.9109 876 SPBio_002493 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M16 compound treatment 0.0103 0.0103 1.02 0.0222 0.0222 1.68 1.9029 0.9712 990 SPBio_002494 CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M17 compound treatment 0.0063 0.00631 0.62 0.0041 0.00412 0.31 0.6604 0.9487 2117626 SPBio_002495 Fc1ccc(cc1)C(CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34)c5ccc(F)cc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M18 compound treatment 0.0073 0.00731 0.72 0.0102 0.0102 0.77 1.0523 0.9995 1351 SPBio_002496 Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M19 compound treatment 3.0E-4 2.95E-4 0.03 -0.03 -0.03 -2.27 -1.5812 -0.698 467359 SPBio_002497 CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M20 compound treatment 0.0083 0.00831 0.82 0.0061 0.00612 0.46 0.9069 0.9632 3060108 SPBio_002498 CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M21 compound treatment 0.0083 0.00831 0.82 -0.0059 -0.00588 -0.44 0.2663 0.2856 714 SPBio_002499 CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M22 compound treatment -0.0047 -0.00469 -0.46 0.0011 0.00112 0.08 -0.2673 -0.5685 1000211 SPBio_002500 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C[C@@]43C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M23 mock treatment -7.0E-4 -6.92E-4 -0.07 0.0011 0.00112 0.08 0.0115 0.1062 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 M24 mock treatment 0.0013 0.00131 0.13 0.0021 0.00212 0.16 0.2049 0.9944 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N01 mock treatment 3.0E-4 3.08E-4 0.03 0.0041 0.00412 0.31 0.2414 0.7725 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N02 mock treatment 0.0033 0.00331 0.33 1.0E-4 1.19E-4 0.01 0.2373 0.7264 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N03 compound treatment -0.0077 -0.00769 -0.76 -0.0049 -0.00488 -0.37 -0.7968 -0.945 2830 SPBio_002501 Clc1ccc2n(C3CCN(CCCn4c(=O)[nH]c5ccccc45)CC3)c(=O)[nH]c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N04 compound treatment 0.0063 0.00631 0.62 0.0041 0.00412 0.31 0.6604 0.9485 1309 SPBio_002502 Cc1cc(C2CCCCC2)n(O)c(=O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N05 compound treatment 0.0033 0.00331 0.33 0.0071 0.00712 0.54 0.6115 0.9715 3189434 SPBio_002503 Nc1nc(cs1)/C(=N\OCC(=O)O)/C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N06 compound treatment 0.0063 0.00631 0.62 0.0102 0.0102 0.77 0.9821 0.9947 722 SPBio_002504 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N07 compound treatment 0.0033 0.00331 0.33 0.0112 0.0112 0.84 0.8267 0.9151 3069124 SPBio_002505 CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)NC2[C@H](O)OC(CO)[C@@H](O)[C@H]2O)c1I 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N08 compound treatment 0.0053 0.00531 0.52 0.0082 0.00815 0.62 0.806 0.9968 1213 SPBio_002506 CNCCc1ccccn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N09 compound treatment 0.0073 0.00731 0.72 0.0051 0.00512 0.39 0.7838 0.9573 3189435 SPBio_002507 C[C@@H](O[C@@H]1[C@H](O)C(CO)O[C@H](O)C1NC(=O)C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N10 compound treatment -0.0047 -0.00469 -0.46 -9.0E-4 -8.76E-4 -0.07 -0.3737 -0.8 1000177 SPBio_002508 NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N11 compound treatment 0.0013 0.00131 0.13 0.0031 0.00312 0.24 0.2585 0.9604 2181 SPBio_002509 Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N12 compound treatment 0.0073 0.00729 0.72 0.0062 0.00619 0.47 0.8395 0.9782 1000096 SPBio_002510 C1CN2CC(N=C2S1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N13 compound treatment 3.0E-4 3.15E-4 0.03 0.0041 0.00412 0.31 0.2421 0.7738 1733214 SPBio_002511 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N14 compound treatment -0.0327 -0.0327 -3.22 -0.0338 -0.0338 -2.56 -4.0866 -0.9934 3068775 SPBio_002512 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N15 compound treatment 0.0013 0.00131 0.13 0.0071 0.00712 0.54 0.472 0.8532 895 SPBio_002513 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N16 compound treatment 0.0023 0.00231 0.23 0.0021 0.00212 0.16 0.2749 0.9851 1214 SPBio_002514 CCOC(=O)Nc1c[n+](no1)N2CCOCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N17 compound treatment 0.0103 0.0103 1.02 0.0142 0.0142 1.07 1.4772 0.9997 822 SPBio_002515 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N18 compound treatment 0.0023 0.00231 0.23 -0.0029 -0.00288 -0.22 0.0079 0.0251 1000114 SPBio_002516 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N19 compound treatment 0.0093 0.00931 0.92 0.0092 0.00915 0.69 1.1384 0.9901 1067495 SPBio_002517 [O-][N+](=O)c1cnc(s1)N2CCNC2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N20 compound treatment 0.0033 0.00331 0.33 0.0122 0.0122 0.92 0.8822 0.903 1365793 SPBio_002518 COc1ccc(CN2CCNCC2)c(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N21 compound treatment 0.0083 0.00831 0.82 0.0092 0.00915 0.69 1.0687 0.9964 3069161 SPBio_002519 NCc1ccccc1CC(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4CC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N22 compound treatment 0.0083 0.00831 0.82 0.0051 0.00512 0.39 0.853 0.9412 3103826 SPBio_002520 C/C/1=C\CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N23 mock treatment 0.0073 0.00731 0.72 0.0132 0.0132 0.99 1.2122 0.9877 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 N24 mock treatment 3.0E-4 3.15E-4 0.03 0.0031 0.00312 0.24 0.1888 0.7934 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O01 mock treatment -0.0037 -0.00369 -0.36 1.0E-4 1.19E-4 0.01 -0.2509 -0.6894 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O02 mock treatment 0.0053 0.00531 0.52 0.0061 0.00612 0.46 0.6977 0.998 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O03 compound treatment -0.0047 -0.00469 -0.46 -0.0019 -0.00188 -0.14 -0.4271 -0.8835 3177204 SPBio_002521 CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O04 compound treatment 0.0163 0.0163 1.61 0.0162 0.0162 1.22 2.0011 0.9909 743 SPBio_002522 CC(C)(C)NCC(O)c1cc(O)cc(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O05 compound treatment -7.0E-4 -6.85E-4 -0.07 0.0011 0.00112 0.08 0.0122 0.1129 43 SPBio_002523 Fc1ccc(cc1)C(N2CCN(C/C=C/c3ccccc3)CC2)c4ccc(F)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O06 compound treatment -0.0057 -0.00569 -0.56 -0.0029 -0.00288 -0.22 -0.5501 -0.9147 3061431 SPBio_002524 OC(C(O)C(=O)O)C(=O)O.Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O07 compound treatment 0.0023 0.00231 0.23 0.0031 0.00312 0.24 0.3283 0.9999 437 SPBio_002525 CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O08 compound treatment -0.0197 -0.0197 -1.94 -0.0198 -0.0198 -1.5 -2.4333 -0.9917 907335 SPBio_002526 C[N+]1(C)CCOC(O)(C1)c2ccc(cc2)c3ccc(cc3)C4(O)C[N+](C)(C)CCO4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O09 compound treatment 0.0053 0.00529 0.52 0.0032 0.00319 0.24 0.5399 0.9384 3189181 SPBio_002527 CCOC(=O)[C@@H](CCc1ccccc1)NC(C)C(=O)N2CCC[C@@H]2C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O10 compound treatment 0.0023 0.00231 0.23 0.0021 0.00212 0.16 0.2744 0.985 3471415 SPBio_002528 NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O11 compound treatment 0.0063 0.00631 0.62 0.0061 0.00612 0.46 0.7674 0.9892 1077 SPBio_002529 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O12 compound treatment 0.0113 0.0113 1.12 0.0022 0.00215 0.16 0.9042 0.8017 3068923 SPBio_002530 NCC[C@H](O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O13 compound treatment 0.0013 0.00131 0.13 -9.0E-4 -8.76E-4 -0.07 0.0448 0.3081 74 SPBio_002531 COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O14 compound treatment 0.0073 0.00731 0.72 0.0031 0.00312 0.24 0.677 0.8918 3189304 SPBio_002532 COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O15 compound treatment -0.0037 -0.00369 -0.36 -0.0059 -0.00588 -0.44 -0.5712 -0.9951 3055 SPBio_002533 NC(=N)NCCN1CCCCCCC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O16 compound treatment 0.0053 0.00531 0.52 0.0052 0.00515 0.39 0.6459 0.9892 3068926 SPBio_002534 CCN(CC)CCOc1ccc(cc1)/C(=C(/Cl)\c2ccccc2)/c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O17 compound treatment 0.0093 0.00931 0.92 0.0082 0.00815 0.62 1.085 0.981 763 SPBio_002535 CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O18 compound treatment -0.0407 -0.0407 -4.01 -0.0418 -0.0418 -3.16 -5.0716 -0.993 3189305 SPBio_002536 CN1CCCN=C1/C=C/c2cccc(O)c2.OC(=O)c1cc2ccccc2c(Cc3cc4ccccc4c(C(=O)O)c3O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O19 compound treatment 3.0E-4 3.15E-4 0.03 -9.0E-4 -8.76E-4 -0.07 -0.0248 -0.3391 907228 SPBio_002537 CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O20 compound treatment 0.0053 0.00531 0.52 0.0092 0.00915 0.69 0.8594 0.9907 1041 SPBio_002538 CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O21 compound treatment 0.0043 0.00431 0.43 0.0051 0.00512 0.39 0.5743 0.9988 1130 SPBio_002539 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O22 compound treatment 0.0083 0.00831 0.82 0.0102 0.0102 0.77 1.1216 0.9994 3189306 SPBio_002540 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)[C@@H](O)[C@@H](O)C4O)cc3O2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O23 mock treatment 0.0013 0.00131 0.13 0.0011 0.00112 0.08 0.1517 0.9789 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 O24 mock treatment -7.0E-4 -6.88E-4 -0.07 1.0E-4 1.24E-4 0.01 -0.0413 -0.6034 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P01 mock treatment 3.0E-4 3.08E-4 0.03 1.0E-4 1.19E-4 0.01 0.0279 0.8791 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P02 mock treatment 0.0093 0.00931 0.92 0.0061 0.00612 0.46 0.9767 0.9495 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P03 compound treatment -0.0017 -0.00169 -0.17 0.0041 0.00412 0.31 0.1024 0.2901 1000325 SPBio_002541 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P04 compound treatment -0.0077 -0.00769 -0.76 1.0E-4 1.19E-4 0.01 -0.5299 -0.6986 922 SPBio_002542 CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P05 compound treatment -0.0017 -0.00169 -0.17 0.0051 0.00512 0.39 0.1558 0.37 3069162 SPBio_002543 CC(C)(CO)[C@H](O)C(=O)NCCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P06 compound treatment 0.0033 0.00331 0.33 0.0021 0.00212 0.16 0.3446 0.9462 2284 SPBio_002544 C[C@H](Cc1ccccc1)N(C)CC#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P07 compound treatment 0.0023 0.00231 0.23 0.0031 0.00312 0.24 0.3283 0.9999 3189436 SPBio_002545 CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P08 compound treatment -7.0E-4 -6.89E-4 -0.07 1.0E-4 1.24E-4 0.01 -0.0414 -0.6036 1020 SPBio_002546 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P09 compound treatment 3.0E-4 3.15E-4 0.03 0.0041 0.00412 0.31 0.2421 0.7738 1534 SPBio_002547 O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P10 compound treatment -0.0017 -0.00169 -0.17 -0.0019 -0.00188 -0.14 -0.2181 -0.9968 196 SPBio_002548 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P11 compound treatment -0.0017 -0.00169 -0.17 0.0011 0.00112 0.08 -0.058 -0.3104 1537011 SPBio_002549 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P12 compound treatment 0.0113 0.0113 1.12 0.0031 0.00312 0.24 0.956 0.838 1931603 SPBio_002550 Oc1ccc(cc1)C(=O)N/N=C/c2ccc(o2)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P13 compound treatment 0.0023 0.00231 0.23 0.0052 0.00515 0.39 0.4366 0.9677 2551 SPBio_002551 COc1cc(NC(C)CCCN)c2ncccc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P14 compound treatment 0.0043 0.00431 0.43 0.0061 0.00612 0.46 0.6277 0.9992 804 SPBio_002552 COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P15 compound treatment 0.0033 0.00331 0.33 -9.0E-4 -8.8E-4 -0.07 0.1843 0.5522 1072 SPBio_002553 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P16 compound treatment -0.0047 -0.00469 -0.46 -0.0029 -0.00288 -0.22 -0.4805 -0.9408 3189565 SPBio_002554 CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(O)C[C@@H](C)[C@@H]4N[C@H](COCCOC)OC([C@H]4C)[C@]1(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P17 compound treatment 0.0023 0.00231 0.23 0.0101 0.0101 0.76 0.7015 0.8798 3480329 SPBio_002555 CCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P18 compound treatment -0.0047 -0.00469 -0.46 -0.0039 -0.00388 -0.29 -0.5337 -0.9757 3474312 SPBio_002556 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P19 compound treatment 0.0023 0.00231 0.23 0.0062 0.00615 0.46 0.49 0.9465 1362 SPBio_002557 COc1c2occc2cc3ccc(=O)oc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P20 compound treatment -0.0047 -0.00469 -0.46 1.0E-4 1.24E-4 0.01 -0.3201 -0.6926 3060137 SPBio_002558 COc1ccccc1N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P21 compound treatment 3.0E-4 3.15E-4 0.03 0.0051 0.00512 0.39 0.2955 0.7614 3189437 SPBio_002559 COc1ccc(CC(N)C(=O)N[C@@H]2C(O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P22 compound treatment 0.0033 0.00331 0.33 0.0061 0.00612 0.46 0.5579 0.9855 1137095 SPBio_002560 CC(Cc1ccccc1)NCCC(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P23 mock treatment -7.0E-4 -6.85E-4 -0.07 0.0041 0.00412 0.31 0.1724 0.5411 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2165 P24 mock treatment -0.0047 -0.00469 -0.46 -0.0039 -0.00388 -0.29 -0.5339 -0.9758 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A01 mock treatment 0.0011 0.00111 0.11 0.0051 0.00573 0.43 0.3834 0.8586 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A02 mock treatment -0.0019 -0.00189 -0.19 -0.0029 -0.00227 -0.17 -0.2531 -0.9991 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A03 compound treatment -0.0019 -0.00189 -0.19 -9.0E-4 -2.68E-4 -0.02 -0.1463 -0.7793 3189566 SPBio_002561 COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7cccc(Oc(c1O)c32)c7)N(C)CCc6cc5OC)c4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A04 compound treatment -9.0E-4 -8.93E-4 -0.09 -0.0039 -0.00327 -0.25 -0.2367 -0.9036 3187611 SPBio_002562 COc1cc(ccc1c2nc3ncccc3[nH]2)S(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A05 compound treatment -0.0369 -0.0369 -3.64 -0.0319 -0.0312 -2.36 -4.2428 -0.9779 907285 SPBio_002563 CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A06 compound treatment -0.0039 -0.00389 -0.38 -0.0069 -0.00627 -0.47 -0.6061 -0.9946 1254 SPBio_002564 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A07 compound treatment 1.0E-4 1.07E-4 0.01 -0.0089 -0.00825 -0.62 -0.4328 -0.695 961 SPBio_002565 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A08 compound treatment -0.0259 -0.0259 -2.56 -0.0199 -0.0192 -1.45 -2.8347 -0.9642 3187612 SPBio_002566 CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A09 compound treatment -0.0019 -0.00189 -0.19 -0.0019 -0.00127 -0.1 -0.1997 -0.9519 3487467 SPBio_002567 CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)OC2CC3CN4CCc5c([nH]c6cc(OC)ccc56)C4CC3C(C2OC)C(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A10 compound treatment -0.0069 -0.00689 -0.68 -0.0109 -0.0102 -0.77 -1.0275 -0.9979 3069530 SPBio_002568 CC(=O)NC1CCSC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A11 compound treatment -0.0019 -0.00189 -0.19 0.0021 0.00274 0.21 0.0143 0.0515 1000124 SPBio_002569 CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A12 compound treatment -0.0089 -0.00889 -0.88 -0.0039 -0.00327 -0.25 -0.7946 -0.872 1000240 SPBio_002570 CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A13 compound treatment 0.0131 0.0131 1.29 0.0081 0.00873 0.66 1.379 0.9513 976 SPBio_002571 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A14 compound treatment -0.0109 -0.0109 -1.08 -0.0069 -0.00627 -0.47 -1.0955 -0.9319 3187613 SPBio_002572 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)OC2CC[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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A15 compound treatment -0.0069 -0.00689 -0.68 -0.0049 -0.00427 -0.32 -0.7081 -0.9418 3189567 SPBio_002573 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)[C@H]6OC)[C@H](C[C@H]2O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A16 compound treatment -0.0039 -0.00389 -0.38 0.0011 0.00173 0.13 -0.1786 -0.4407 2060360 SPBio_002574 C1CN=C(C1)c2cccnc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A17 compound treatment 0.0031 0.00311 0.31 1.0E-4 7.39E-4 0.06 0.2562 0.8223 3141 SPBio_002575 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A18 compound treatment -0.0129 -0.0129 -1.27 -0.0159 -0.0152 -1.15 -1.7124 -0.9988 3069532 SPBio_002576 C[N+]1(C)C[C@@H](O)C[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A19 compound treatment -0.0019 -0.00189 -0.19 1.0E-4 7.39E-4 0.06 -0.0926 -0.4751 3068781 SPBio_002577 CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A20 compound treatment -0.0089 -0.00889 -0.88 0.0011 0.00173 0.13 -0.5275 -0.5951 946 SPBio_002578 OCCNC(=O)Cn1ccnc1[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A21 compound treatment -9.0E-4 -8.93E-4 -0.09 -0.0029 -0.00227 -0.17 -0.1834 -0.9522 3189569 SPBio_002579 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC4NCCc5cc(OC)c(OC)cc45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A22 compound treatment 0.0061 0.00611 0.6 -9.0E-4 -2.68E-4 -0.02 0.412 0.683 3187614 SPBio_002580 NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)[C@H](O)[C@@H]2N)[C@H](OC3O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A23 mock treatment 0.0041 0.00411 0.41 0.0011 0.00173 0.13 0.3792 0.89 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 A24 mock treatment 1.0E-4 1.07E-4 0.01 -0.0019 -0.00127 -0.1 -0.0602 -0.6251 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B01 mock treatment -0.0049 -0.00489 -0.48 -0.0069 -0.00627 -0.47 -0.6757 -0.9999 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B02 mock treatment -0.0089 -0.00891 -0.88 0.0011 0.00174 0.13 -0.529 -0.5951 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B03 compound treatment -9.0E-4 -8.89E-4 -0.09 -0.0019 -0.00127 -0.1 -0.1297 -0.999 1606 SPBio_002581 NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B04 compound treatment -0.0059 -0.00589 -0.58 0.0021 0.00274 0.21 -0.2647 -0.4294 1412 SPBio_002582 CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B05 compound treatment -0.0049 -0.00489 -0.48 -0.0089 -0.00825 -0.62 -0.7816 -0.9921 1524 SPBio_002583 CC(C)Nc1c(C)n(C)n(c2ccccc2)c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B06 compound treatment -0.0099 -0.00989 -0.98 -0.0079 -0.00725 -0.55 -1.0769 -0.9626 3069629 SPBio_002584 CC(=O)/N=c/1\sc(nn1C)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B07 compound treatment -0.0059 -0.00589 -0.58 -0.0049 -0.00427 -0.32 -0.6385 -0.9614 883 SPBio_002585 CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B08 compound treatment 0.0021 0.00211 0.21 -0.0049 -0.00427 -0.32 -0.0806 -0.21 818 SPBio_002586 CCC1(CC)C(=O)NC=CC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B09 compound treatment -0.0019 -0.00189 -0.19 -0.0069 -0.00625 -0.47 -0.4656 -0.9177 887 SPBio_002587 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B10 compound treatment -0.0029 -0.00289 -0.29 -9.0E-4 -2.65E-4 -0.02 -0.2159 -0.7549 795 SPBio_002588 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B11 compound treatment -0.0039 -0.00389 -0.38 -0.0079 -0.00727 -0.55 -0.6592 -0.9847 745 SPBio_002589 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B12 compound treatment 0.0011 0.00111 0.11 -0.0079 -0.00727 -0.55 -0.3108 -0.5554 1129 SPBio_002590 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B13 compound treatment -0.0099 -0.00991 -0.98 -0.0049 -0.00427 -0.32 -0.9188 -0.8929 3263 SPBio_002591 CNC(C)(C)Cc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B14 compound treatment -0.0049 -0.00489 -0.48 -0.0069 -0.00627 -0.47 -0.6759 -1.0 755 SPBio_002592 CC(CN(C)C)CN1c2ccccc2CCc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B15 compound treatment -0.0079 -0.00791 -0.78 -0.0089 -0.00827 -0.62 -0.9931 -0.9938 3187750 SPBio_002593 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B16 compound treatment -0.0239 -0.0239 -2.36 -0.0199 -0.0193 -1.45 -2.6951 -0.9731 1088922 SPBio_002594 CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B17 compound treatment -0.0099 -0.00989 -0.98 -0.0059 -0.00527 -0.4 -0.9712 -0.9217 751 SPBio_002595 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B18 compound treatment 0.0011 0.00111 0.11 -0.0119 -0.0112 -0.85 -0.5228 -0.6107 3043753 SPBio_002596 [O-][N+](=O)c1ccc(/C=N/N2CCOC2=O)o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B19 compound treatment -0.0039 -0.00389 -0.38 -0.0029 -0.00227 -0.17 -0.3926 -0.9338 1146 SPBio_002597 Nc1ccc(cc1)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B20 compound treatment -0.0059 -0.00589 -0.58 -0.0049 -0.00427 -0.32 -0.6385 -0.9614 2570 SPBio_002598 NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B21 compound treatment -0.0039 -0.00389 -0.38 -0.0059 -0.00527 -0.4 -0.5526 -0.9998 3069577 SPBio_002599 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)OC61CCC(C)CO6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B22 compound treatment -0.0059 -0.00589 -0.58 -0.0049 -0.00427 -0.32 -0.6389 -0.9613 871 SPBio_002600 Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B23 mock treatment -0.0059 -0.00589 -0.58 -0.0049 -0.00427 -0.32 -0.6386 -0.9614 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 B24 mock treatment -0.0059 -0.00589 -0.58 -0.0049 -0.00427 -0.32 -0.6386 -0.9614 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C01 mock treatment 0.0041 0.00411 0.41 0.0031 0.00373 0.28 0.4857 0.9842 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C02 mock treatment 0.0011 0.00111 0.11 0.0051 0.00573 0.43 0.3837 0.8592 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C03 compound treatment -0.0149 -0.0149 -1.47 -0.0109 -0.0102 -0.77 -1.5858 -0.9552 1218 SPBio_002601 CCCCNc1ccc(cc1)C(=O)OCCN(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C04 compound treatment 0.0041 0.00411 0.41 0.0071 0.00773 0.58 0.6995 0.9842 1624 SPBio_002602 CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C05 compound treatment 0.0071 0.00711 0.7 0.0021 0.00273 0.21 0.642 0.878 1000293 SPBio_002603 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(OC(=O)c5ccco5)C(=O)CCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C06 compound treatment -0.0039 -0.00389 -0.38 -0.0059 -0.00527 -0.4 -0.5523 -0.9998 3187615 SPBio_002604 CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)OC2[C@@]53C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C07 compound treatment 0.0011 0.00111 0.11 1.0E-4 7.32E-4 0.06 0.1163 0.9501 3189571 SPBio_002605 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@]61CCC(C)CN6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C08 compound treatment -0.0019 -0.00189 -0.19 1.0E-4 7.32E-4 0.06 -0.0926 -0.4768 1244 SPBio_002606 C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C09 compound treatment 0.0041 0.00411 0.41 0.0041 0.00474 0.36 0.5393 0.9981 964 SPBio_002607 CN(C)N=Nc1[nH]cnc1C(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C10 compound treatment 0.0011 0.00111 0.11 -0.0079 -0.00727 -0.55 -0.3103 -0.5547 3187616 SPBio_002608 C/C(=C(\CCOP(=O)(O)O)/SC(=O)c1ccccc1)/N(Cc2cnc(C)nc2N)C=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C11 compound treatment -9.0E-4 -8.93E-4 -0.09 0.0041 0.00474 0.36 0.1905 0.5175 3471597 SPBio_002609 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C12 compound treatment 0.0031 0.00309 0.3 0.0061 0.00673 0.51 0.5749 0.97 3069534 SPBio_002610 CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C13 compound treatment 0.0061 0.00611 0.6 0.0061 0.00673 0.51 0.7856 0.9964 1092107 SPBio_002611 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C14 compound treatment -0.0019 -0.00189 -0.19 -0.0019 -0.00127 -0.1 -0.1997 -0.9519 3187617 SPBio_002612 CC1OC(C[C@@H](O)[C@@H]1OC2C[C@@H](O)[C@H](OC3C[C@@H](OC(=O)C)[C@H](OC4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O)C(C)O3)C(C)O2)OC5CC[C@@]6(C)[C@H](CC[C@@]7(C)[C@@]8(O)CC[C@H](C9=CC(=O)OC9)[C@@]8(C)[C@H](O)C[C@]67C)C5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C15 compound treatment 0.0071 0.00711 0.7 0.0041 0.00473 0.36 0.7488 0.9511 1000115 SPBio_002613 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C16 compound treatment -0.0019 -0.00189 -0.19 -0.0039 -0.00327 -0.25 -0.3065 -0.9905 3103678 SPBio_002614 N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)/NCc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C17 compound treatment 0.0051 0.00511 0.5 -0.0059 -0.00527 -0.4 0.075 0.1168 450 SPBio_002615 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C18 compound treatment 0.0011 0.00111 0.11 -0.0039 -0.00327 -0.25 -0.0972 -0.3603 827 SPBio_002616 CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C19 compound treatment 0.0041 0.00411 0.41 0.0011 0.00175 0.13 0.38 0.8916 1084508 SPBio_002617 COc1ccc2cc3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C20 compound treatment 0.0021 0.00211 0.21 1.0E-4 7.32E-4 0.06 0.186 0.865 3069535 SPBio_002618 C(Nc1ncnc2nc[nH]c12)c3ccco3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C21 compound treatment 1.0E-4 1.16E-4 0.01 0.0041 0.00473 0.36 0.2607 0.7295 1219467 SPBio_002619 COc1cc2CCC(N)c3cc(=O)c(O)ccc3-c2c(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C22 compound treatment -9.0E-4 -8.88E-4 -0.09 0.0041 0.00473 0.36 0.1907 0.5185 3187618 SPBio_002620 CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)/C(O[C@H]4C[C@H](OC)C(O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6\CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@@]76O)C)O2)C=C[C@@H]1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C23 mock treatment 0.0041 0.00411 0.41 0.0031 0.00374 0.28 0.4859 0.9843 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 C24 mock treatment 0.0071 0.00711 0.7 -0.0019 -0.00127 -0.1 0.428 0.6049 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D01 mock treatment -0.0039 -0.00389 -0.38 -0.0019 -0.00127 -0.1 -0.3389 -0.8573 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D02 mock treatment 1.0E-4 1.07E-4 0.01 0.0011 0.00174 0.13 0.1003 0.7617 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D03 compound treatment 0.0051 0.00511 0.5 0.0061 0.00673 0.51 0.7159 1.0 706 SPBio_002621 Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D04 compound treatment 1.0E-4 1.07E-4 0.01 -9.0E-4 -2.68E-4 -0.02 -0.0068 -0.299 3472295 SPBio_002622 COc1c(O)cc2C(=O)OC3C(O)C(O)C(CO)OC3c2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D05 compound treatment -0.0019 -0.00189 -0.19 -0.0019 -0.00127 -0.1 -0.1994 -0.9522 3187751 SPBio_002623 CN(N=O)C(=O)NC1[C@@H](O)OC(CO)[C@@H](O)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D06 compound treatment -0.0029 -0.00289 -0.28 -9.0E-4 -2.68E-4 -0.02 -0.2158 -0.7555 1446 SPBio_002624 OC(COc1cccc2oc(cc(=O)c12)C(=O)O)COc3cccc4oc(cc(=O)c34)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D07 compound treatment -0.0069 -0.00689 -0.68 -0.0129 -0.0122 -0.92 -1.1345 -0.9886 3173081 SPBio_002625 COCCc1ccc(OCC(O)CNC(C)C)cc1.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D08 compound treatment 0.0051 0.00511 0.5 -9.0E-4 -2.68E-4 -0.02 0.3419 0.6781 3187884 SPBio_002626 CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C3OC(=O)CCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D09 compound treatment -0.0089 -0.00889 -0.88 -0.0069 -0.00625 -0.47 -0.9538 -0.9577 3187752 SPBio_002627 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D10 compound treatment -0.0079 -0.00787 -0.78 -0.0039 -0.00327 -0.25 -0.7236 -0.888 3176931 SPBio_002628 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)O)C3=O)C(=O)O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D11 compound treatment -0.0039 -0.00389 -0.38 -0.0029 -0.00227 -0.17 -0.3926 -0.9338 359 SPBio_002629 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D12 compound treatment -0.0029 -0.00289 -0.29 -0.0039 -0.00327 -0.25 -0.3762 -0.9974 717 SPBio_002630 OC(=O)c1ccccc1OP(=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D13 compound treatment -0.0029 -0.00289 -0.29 1.0E-4 7.39E-4 0.06 -0.1623 -0.5583 689 SPBio_002631 Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D14 compound treatment -0.0049 -0.00489 -0.48 0.0021 0.00274 0.21 -0.1949 -0.3716 1102 SPBio_002632 CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D15 compound treatment -0.0069 -0.00691 -0.68 -0.0029 -0.00227 -0.17 -0.6032 -0.8581 3173859 SPBio_002633 CC(C)CC(=O)OC1C(O[C@@H]2C[C@H]([C@H]3CC[C@]4(CC5CC[C@H]4[C@]3(C)C2)[C@@H](O)C5=C)C(=O)O)OC(CO)C(OS(=O)(=O)O)C1OS(=O)(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D16 compound treatment 1.0E-4 1.17E-4 0.01 0.0011 0.00174 0.13 0.101 0.7662 1254 SPBio_002634 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D17 compound treatment 1.0E-4 1.07E-4 0.01 0.0011 0.00173 0.13 0.0999 0.7619 873 SPBio_002635 Nc1nc(=O)c2N(C=O)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D18 compound treatment -0.0019 -0.00189 -0.19 -0.0029 -0.00227 -0.17 -0.2528 -0.9991 1055 SPBio_002636 CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D19 compound treatment 0.0021 0.00211 0.21 1.0E-4 7.32E-4 0.06 0.186 0.865 1402956 SPBio_002637 CC(N)C(O)c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D20 compound treatment 0.0031 0.00311 0.31 0.0041 0.00473 0.36 0.4693 0.9971 1000139 SPBio_002638 CO[C@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D21 compound treatment -0.0019 -0.00189 -0.19 -0.0039 -0.00327 -0.25 -0.3062 -0.9904 1531 SPBio_002639 O=c1n([se]c2ccccc12)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D22 compound treatment -0.007 -0.00699 -0.69 -0.01 -0.00935 -0.71 -0.9868 -0.9999 856 SPBio_002640 Cn1c(=O)n(C)c2nc[nH]c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D23 mock treatment 0.0021 0.00211 0.21 0.0071 0.00773 0.58 0.56 0.9036 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 D24 mock treatment 0.0021 0.00211 0.21 0.0021 0.00273 0.21 0.2928 1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E01 mock treatment 0.0031 0.00311 0.31 0.0021 0.00273 0.21 0.363 0.9814 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E02 mock treatment 0.0041 0.00411 0.41 0.0051 0.00573 0.43 0.5929 0.9995 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E03 compound treatment 0.0041 0.00411 0.41 0.0051 0.00573 0.43 0.5925 0.9995 3180327 SPBio_002641 COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E04 compound treatment 0.0011 0.00111 0.11 -0.0039 -0.00327 -0.25 -0.0972 -0.3603 3069536 SPBio_002642 OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E05 compound treatment -0.0079 -0.00789 -0.78 -0.0069 -0.00627 -0.47 -0.8851 -0.9715 1054667 SPBio_002643 CN1C(CC(O)c2ccccc2)CCCC1CC(O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E06 compound treatment -0.0029 -0.00289 -0.29 -0.0049 -0.00425 -0.32 -0.4285 -0.9983 1001945 SPBio_002644 CN1C[C@@]2(C=C)C3CC4OCC3C1[C@@H]2[C@@]45C(=O)Nc6ccccc65 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E07 compound treatment -0.0409 -0.0409 -4.04 -0.0409 -0.0402 -3.04 -5.0022 -0.9902 959 SPBio_002645 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E08 compound treatment -0.0059 -0.00589 -0.58 -0.0079 -0.00727 -0.55 -0.799 -0.9996 3187619 SPBio_002646 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)OC61CCC(C)CN6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E09 compound treatment -0.0049 -0.00489 -0.48 -0.0069 -0.00627 -0.47 -0.6759 -1.0 3000363 SPBio_002647 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E10 compound treatment -0.0039 -0.00389 -0.38 -0.0019 -0.00127 -0.1 -0.3389 -0.8573 3069538 SPBio_002648 CCN1C[C@]2(COC)CC[C@H](OC)[C@]3(C4C[C@H]5[C@H](OC)C4C6(C[C@@H]5OC)OCO[C@@]76[C@@H](O)C32)[C@@H]17 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E11 compound treatment -0.0089 -0.00887 -0.88 -0.0039 -0.00327 -0.25 -0.7933 -0.8725 3061052 SPBio_002649 CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E12 compound treatment -0.0019 -0.00189 -0.19 0.0011 0.00174 0.13 -0.0392 -0.1717 1054504 SPBio_002650 COc1c(OCC(O)C(C)(C)O)ccc2c(OC)c3ccoc3nc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E13 compound treatment -0.0019 -0.00189 -0.19 1.0E-4 7.39E-4 0.06 -0.0923 -0.4746 909 SPBio_002651 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E14 compound treatment -0.0029 -0.00289 -0.29 -9.0E-4 -2.68E-4 -0.02 -0.2161 -0.7554 3187620 SPBio_002652 C[C@H]1CCC[C@@H](C)N1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E15 compound treatment -0.0029 -0.00289 -0.29 -0.0029 -0.00227 -0.17 -0.3229 -0.9702 3189572 SPBio_002653 CN1Cc2c3OCOc3ccc2[C@H]4[C@@H](O)Cc5cc6OCOc6cc5[C@H]41 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E16 compound treatment -0.0059 -0.00589 -0.58 -0.0019 -0.00126 -0.1 -0.4785 -0.8123 1540789 SPBio_002654 COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E17 compound treatment -0.1009 -0.101 -9.95 -0.0959 -0.0952 -7.19 -12.1233 -0.9873 1202 SPBio_002655 COc1ccc2CN(C)CC[C@]34C=C[C@H](O)C[C@@H]4Oc1c23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E18 compound treatment -0.0189 -0.0189 -1.87 -0.0129 -0.0122 -0.92 -1.9726 -0.9476 1054505 SPBio_002656 COc1ccc2c(OC)c3ccoc3nc2c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E19 compound treatment -0.0069 -0.00689 -0.68 -0.0039 -0.00325 -0.25 -0.6542 -0.9051 1220 SPBio_002657 CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E20 compound treatment 0.0011 0.00111 0.11 1.0E-4 7.32E-4 0.06 0.1163 0.9501 852250 SPBio_002658 C1CCC(NC1)c2cccnc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E21 compound treatment 0.0011 0.00111 0.11 -0.0019 -0.00127 -0.1 0.01 0.069 3173993 SPBio_002659 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E22 compound treatment 0.0041 0.00411 0.41 0.0011 0.00173 0.13 0.3791 0.8903 193 SPBio_002660 COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)cc5)c4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E23 mock treatment 0.0021 0.00211 0.21 1.0E-4 7.39E-4 0.06 0.1867 0.8659 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 E24 mock treatment 1.0E-4 1.07E-4 0.01 -0.0049 -0.00427 -0.32 -0.2204 -0.6835 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F01 mock treatment 0.0011 0.00111 0.11 -9.0E-4 -2.61E-4 -0.02 0.0636 0.5707 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F02 mock treatment 0.0011 0.00112 0.11 0.0031 0.00373 0.28 0.2772 0.9159 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F03 compound treatment 0.0031 0.00311 0.31 0.0011 0.00173 0.13 0.3092 0.9278 3069579 SPBio_002661 NC(=O)c1ccc[n+](c1)[C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](C(O)[C@H]3O)n4cnc5c(N)ncnc45)C(O)[C@H]2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F04 compound treatment 1.0E-4 1.07E-4 0.01 1.0E-4 7.32E-4 0.06 0.0465 0.8276 691 SPBio_002662 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2C1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F05 compound treatment -0.0649 -0.0649 -6.4 -0.0639 -0.0632 -4.77 -7.9038 -0.9896 799 SPBio_002663 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F06 compound treatment -0.0049 -0.00489 -0.48 -0.0039 -0.00327 -0.25 -0.5154 -0.9516 1303 SPBio_002664 C[N+]1(CCC2CC1)CC2OC(=O)C(O)(c3ccccc3)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F07 compound treatment -9.0E-4 -8.93E-4 -0.09 -9.0E-4 -2.61E-4 -0.02 -0.0762 -0.8446 3187753 SPBio_002665 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F08 compound treatment -0.0039 -0.00389 -0.38 -0.0039 -0.00327 -0.25 -0.4456 -0.9773 1529 SPBio_002666 COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F09 compound treatment -0.0029 -0.00289 -0.29 -0.0039 -0.00327 -0.25 -0.3762 -0.9974 3187754 SPBio_002667 CNCC(O)C(O)C(O)C(O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F10 compound treatment -0.0039 -0.00389 -0.38 1.0E-4 7.32E-4 0.06 -0.2324 -0.5992 1114 SPBio_002668 NS(=O)(=O)c1cc2c(N=C(CSCc3ccccc3)NS2(=O)=O)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F11 compound treatment 1.0E-4 1.16E-4 0.01 -9.0E-4 -2.68E-4 -0.02 -0.0062 -0.2666 3187755 SPBio_002669 CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC2CCC(C(C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F12 compound treatment -0.0139 -0.0139 -1.37 -0.0209 -0.0202 -1.53 -2.0499 -0.9985 1000 SPBio_002670 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F13 compound treatment -0.0039 -0.00389 -0.38 -0.0019 -0.00125 -0.09 -0.3381 -0.8553 3069580 SPBio_002671 C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F14 compound treatment -0.0079 -0.00789 -0.78 -0.0109 -0.0103 -0.78 -1.0983 -1.0 1052436 SPBio_002672 CCN(CC)CCc1nc(no1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F15 compound treatment 1.0E-4 1.17E-4 0.01 -9.0E-4 -2.68E-4 -0.02 -0.0062 -0.2652 3069581 SPBio_002673 Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F16 compound treatment -0.1039 -0.104 -10.25 -0.0869 -0.0862 -6.51 -11.8507 -0.976 1397 SPBio_002674 CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F17 compound treatment -0.0019 -0.00189 -0.19 -0.0059 -0.00526 -0.4 -0.413 -0.9406 3187756 SPBio_002675 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F18 compound treatment 0.0081 0.00811 0.8 -0.0019 -0.00125 -0.09 0.4988 0.6195 3187885 SPBio_002676 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F19 compound treatment 0.0011 0.00111 0.11 0.0041 0.00473 0.36 0.3298 0.883 4338 SPBio_002677 CCC(NC(C)C)C(O)c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F20 compound treatment 0.0051 0.00511 0.5 -9.0E-4 -2.48E-4 -0.02 0.343 0.6803 1519 SPBio_002678 CC1(C)OC(=O)NC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F21 compound treatment -0.0049 -0.00489 -0.48 -0.0059 -0.00527 -0.4 -0.6225 -0.9954 3069582 SPBio_002679 C[C@@]1(O)CCOC(=O)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F22 compound treatment -0.0279 -0.0279 -2.75 -0.0329 -0.0322 -2.43 -3.667 -0.9981 852 SPBio_002680 CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F23 mock treatment -0.0019 -0.00189 -0.19 -0.0019 -0.00127 -0.1 -0.1996 -0.9516 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 F24 mock treatment -0.0049 -0.00489 -0.48 1.0E-4 7.39E-4 0.06 -0.3018 -0.6213 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G01 mock treatment 0.0031 0.00311 0.31 0.0021 0.00273 0.21 0.363 0.9814 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G02 mock treatment -9.0E-4 -8.83E-4 -0.09 0.0041 0.00473 0.36 0.1912 0.5196 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G03 compound treatment -0.0309 -0.0309 -3.05 -0.0299 -0.0292 -2.21 -3.7175 -0.9874 1000946 SPBio_002681 COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G04 compound treatment 0.0061 0.00611 0.6 0.0041 0.00473 0.36 0.6786 0.9689 3129 SPBio_002682 CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G05 compound treatment 0.0061 0.00609 0.6 0.0071 0.00775 0.59 0.8384 0.9999 3054974 SPBio_002683 COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G06 compound treatment 0.0051 0.00511 0.5 0.0051 0.00573 0.43 0.6622 0.9971 1025381 SPBio_002684 COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G07 compound treatment 0.0041 0.00411 0.41 0.0051 0.00573 0.43 0.5926 0.9995 3189573 SPBio_002685 COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)C3C[C@@H]21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G08 compound treatment -0.0049 -0.00489 -0.48 0.0031 0.00373 0.28 -0.1417 -0.2538 3187622 SPBio_002686 CCN1C[C@]2(C)CC[C@H](OC)[C@@]34C2[C@H](OC(=O)C)C5(OCO[C@]65C[C@H](OC)C7C[C@]4(O)C6[C@H]7OC)[C@@H]13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G09 compound treatment -0.0049 -0.00489 -0.48 -0.0049 -0.00427 -0.32 -0.569 -0.9807 915 SPBio_002687 OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G10 compound treatment -0.0029 -0.00289 -0.29 -0.0029 -0.00227 -0.17 -0.3229 -0.9702 1182082 SPBio_002688 Cn1c(cc(=O)c2ccccc12)c3ccc4OCOc4c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G11 compound treatment -0.0059 -0.00589 -0.58 -0.0089 -0.00825 -0.62 -0.8513 -0.9994 1056553 SPBio_002689 CN1CCC23C4Nc5ccccc5C3(CCN4C)C1Nc6ccccc62 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G12 compound treatment -0.0029 -0.00289 -0.29 -0.0109 -0.0103 -0.78 -0.7499 -0.9078 3069539 SPBio_002690 CN1CCC2=C[C@@H](O)[C@@H]3OC(=O)c4cc5OCOc5cc4C3[C@@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G13 compound treatment 0.0031 0.00311 0.31 -0.0049 -0.00427 -0.32 -0.011 -0.0247 3069519 SPBio_002691 COc1ccc(cc1OC)C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G14 compound treatment -0.0069 -0.00687 -0.68 -0.0169 -0.0162 -1.23 -1.3468 -0.9609 3187623 SPBio_002692 CC=C(C)C(=O)OC1[C@H](OC(=O)C)C2(CO)[C@H](O)C[C@]3(C)C(=CCC4C5(C)CCC(OC6OC([C@H](O[C@H]7OC(CO)[C@H](O)[C@H](O)C7O)[C@H](O)C6O[C@H]8OC(CO)[C@H](O)[C@H](O)C8O)C(=O)O)[C@](C)(CO)C5CCC43C)C2CC1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G15 compound treatment -0.0039 -0.00389 -0.38 -0.0049 -0.00427 -0.32 -0.4994 -0.9962 2060325 SPBio_002693 COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G16 compound treatment -0.0109 -0.0109 -1.07 -0.0069 -0.00625 -0.47 -1.0933 -0.9317 829 SPBio_002694 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G17 compound treatment 0.0041 0.00409 0.4 0.0101 0.0108 0.81 0.8591 0.9478 1076 SPBio_002695 Cc1cccc(C)c1NC2=NCCCS2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G18 compound treatment 0.0101 0.0101 1.0 0.0041 0.00473 0.36 0.9565 0.9044 1115322 SPBio_002696 COc1ccn(C)c(=O)c1C#N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G19 compound treatment -9.0E-4 -8.93E-4 -0.09 -0.0049 -0.00427 -0.32 -0.2901 -0.8685 3179848 SPBio_002697 C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G20 compound treatment 0.0041 0.00411 0.41 0.0081 0.00875 0.66 0.7537 0.9724 3069540 SPBio_002698 CCN1C[C@]2(COC)CC[C@H](O)[C@]3(C4C[C@H]5C(OC)C4[C@](O)(C[C@H]5OC)C6(O)C(OC)C32)[C@H]16 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G21 compound treatment 0.0041 0.00411 0.41 0.0021 0.00274 0.21 0.4328 0.951 1737132 SPBio_002699 COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G22 compound treatment -0.0309 -0.0309 -3.05 0.0021 0.00273 0.21 -2.0087 -0.6577 3187624 SPBio_002700 C/C=C\1/C[N@@+]2(C)CCC34[C@@H]2C[C@@H]1C(=C4Nc5ccccc53)C=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G23 mock treatment -9.0E-4 -8.89E-4 -0.09 -0.0029 -0.00227 -0.17 -0.1831 -0.9516 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 G24 mock treatment -0.0029 -0.00289 -0.29 0.0011 0.00174 0.13 -0.1089 -0.3469 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H01 mock treatment -0.0059 -0.00589 -0.58 0.0011 0.00173 0.13 -0.3183 -0.5346 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H02 mock treatment 0.0011 0.00112 0.11 0.0061 0.00673 0.51 0.4374 0.8408 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H03 compound treatment 0.0091 0.00911 0.9 0.0051 0.00573 0.43 0.9415 0.9439 3480633 SPBio_002701 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CCCO4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H04 compound treatment -0.0129 -0.0129 -1.27 -0.0059 -0.00525 -0.4 -1.1794 -0.8854 1452 SPBio_002702 CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H05 compound treatment 0.0061 0.00611 0.6 0.0021 0.00274 0.21 0.5723 0.8981 1404 SPBio_002703 Nc1ccc(N=Nc2ccccc2)c(N)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H06 compound treatment 0.0081 0.00811 0.8 -0.0019 -0.00127 -0.1 0.4979 0.6182 1189 SPBio_002704 CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H07 compound treatment -0.0059 -0.00589 -0.58 0.0011 0.00173 0.13 -0.3186 -0.5347 1451 SPBio_002705 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H08 compound treatment 0.0051 0.00509 0.5 0.0081 0.00875 0.66 0.822 0.9908 1000080 SPBio_002706 ClCCNP1(=O)OCCCN1CCCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H09 compound treatment 1.0E-4 1.16E-4 0.01 -0.0039 -0.00327 -0.25 -0.1664 -0.6735 1438 SPBio_002707 CC(C(=O)O)c1cccc(Oc2ccccc2)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H10 compound treatment 0.0051 0.00511 0.5 -0.0049 -0.00427 -0.32 0.1287 0.2151 3187886 SPBio_002708 CO[C@@H]1[C@H](OC(=O)N)C(O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H11 compound treatment 1.0E-4 1.07E-4 0.01 -9.0E-4 -2.68E-4 -0.02 -0.0068 -0.299 963 SPBio_002709 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H12 compound treatment 0.0071 0.00709 0.7 -0.0019 -0.00127 -0.1 0.4268 0.6049 1232 SPBio_002710 OC1=C(O)C(=O)C(=C(O)C1=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H13 compound treatment 1.0E-4 1.07E-4 0.01 -0.0049 -0.00425 -0.32 -0.2193 -0.6834 1138 SPBio_002711 CC/C(=C(/CC)\c1ccc(O)cc1)/c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H14 compound treatment 0.0011 0.00111 0.11 -0.0039 -0.00327 -0.25 -0.0969 -0.3588 1029 SPBio_002712 CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H15 compound treatment 0.0071 0.00711 0.7 -0.0029 -0.00227 -0.17 0.3746 0.5191 3057880 SPBio_002713 COc1ccc(cc1)C(=C(c2ccc(OC)cc2)c3ccc(OC)cc3)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H16 compound treatment 0.0091 0.00911 0.9 0.0061 0.00675 0.51 0.9957 0.964 1276 SPBio_002714 CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O)OC(=O)CCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H17 compound treatment 0.0021 0.00211 0.21 0.0031 0.00375 0.28 0.3473 0.9884 3187757 SPBio_002715 NCC1OC(OC2C(N)CC(N)C(O)C2O[C@@H]3O[C@H](CO)[C@H](O)C3O)C(N)C(O)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H18 compound treatment 0.0061 0.00611 0.6 0.0011 0.00174 0.13 0.5189 0.8412 3187887 SPBio_002716 CC(CN(C(=O)C)c1c(I)cc(I)c(N)c1I)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H19 compound treatment 0.0041 0.00409 0.4 0.0051 0.00573 0.43 0.5911 0.9994 1094620 SPBio_002717 CC(C[N+](C)(C)C)OC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H20 compound treatment 0.0141 0.0141 1.39 0.0011 0.00175 0.13 1.0761 0.7709 1670 SPBio_002718 Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H21 compound treatment -9.0E-4 -8.93E-4 -0.09 1.0E-4 7.39E-4 0.06 -0.0228 -0.219 1246 SPBio_002719 CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H22 compound treatment 0.0011 0.00111 0.11 0.0011 0.00173 0.13 0.1697 0.996 727 SPBio_002720 CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H23 mock treatment 0.0061 0.00611 0.6 0.0011 0.00173 0.13 0.5186 0.8412 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 H24 mock treatment -0.0039 -0.00389 -0.38 -0.0029 -0.00227 -0.17 -0.3924 -0.9336 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I01 mock treatment -9.0E-4 -8.83E-4 -0.09 0.0011 0.00173 0.13 0.0308 0.1963 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I02 mock treatment 0.0061 0.00611 0.6 1.0E-4 7.39E-4 0.06 0.4657 0.7692 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I03 compound treatment -0.0049 -0.00489 -0.48 -0.0059 -0.00527 -0.4 -0.622 -0.9954 3069520 SPBio_002721 COc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I04 compound treatment 1.0E-4 1.07E-4 0.01 1.0E-4 7.32E-4 0.06 0.0465 0.8276 3069541 SPBio_002722 C[C@H]1[C@H]2[C@H](OC1=O)[C@H]3C(=CC(=O)C3=C(C)C[C@@H]2O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I05 compound treatment 0.0011 0.00112 0.11 0.0031 0.00373 0.28 0.2772 0.9159 3069521 SPBio_002723 CCC1[C@@H](O)N2C3C[C@@]45[C@H](O)C3C1CC2[C@@H]5N(C)c6ccccc64 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I06 compound treatment 0.0061 0.00611 0.6 1.0E-4 7.32E-4 0.06 0.4654 0.7687 3187625 SPBio_002724 CC[N+]1(C)C2CCC1CC(C2)OC(=O)[C@H]3CCC(C(=O)OC4CC5CCC(C4)[N+]5(C)CC)(c6ccccc6)c7ccccc37 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I07 compound treatment 0.0011 0.00111 0.11 -0.0039 -0.00327 -0.25 -0.0972 -0.3603 1539 SPBio_002725 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I08 compound treatment 1.0E-4 1.07E-4 0.01 0.0021 0.00273 0.21 0.1533 0.7424 3173628 SPBio_002726 CN1C(C)(C)CCCC1(C)C.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I09 compound treatment 0.0061 0.00609 0.6 0.0011 0.00174 0.13 0.5172 0.8416 3069522 SPBio_002727 COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I10 compound treatment -0.0529 -0.0529 -5.22 -0.0309 -0.0303 -2.29 -5.3037 -0.9314 3069542 SPBio_002728 COC(C)C(O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@H]21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I11 compound treatment 0.0011 0.00111 0.11 -9.0E-4 -2.68E-4 -0.02 0.0629 0.5663 3100 SPBio_002729 COc1c2OCOc2cc3CCN(C)Cc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I12 compound treatment -0.1009 -0.101 -9.95 -0.0969 -0.0962 -7.27 -12.1767 -0.988 3487155 SPBio_002730 C1CNC2C(C1)C3CCC2C4N3CCc5c4[nH]c6ccccc56 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I13 compound treatment -0.0029 -0.00289 -0.29 -0.0039 -0.00327 -0.25 -0.3762 -0.9974 3189574 SPBio_002731 O[C@H]([C@@H]1CC2CCN1C[C@@H]2C=C)c3ccnc4ccccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I14 compound treatment -0.0019 -0.00189 -0.19 -0.0069 -0.00627 -0.47 -0.4666 -0.9173 3069543 SPBio_002732 O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H](C32)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I15 compound treatment 0.0061 0.00611 0.6 0.0011 0.00174 0.13 0.5189 0.8412 1039 SPBio_002733 CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I16 compound treatment -0.0019 -0.00189 -0.19 0.0021 0.00274 0.21 0.014 0.0504 3187744 SPBio_002734 CCN1C[C@]2(C)CC[C@H](O)C3(C4C[C@H]5C(O)C4[C@](O)(C[C@@H]5OC)C6CC32)[C@H]61 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I17 compound treatment -9.0E-4 -8.93E-4 -0.09 0.0031 0.00375 0.28 0.138 0.4653 3069523 SPBio_002735 O[C@@H]([C@H]1CC2CCN1C[C@H]2C=C)c3ccnc4ccccc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I18 compound treatment 0.0091 0.00911 0.9 0.0041 0.00475 0.36 0.8889 0.9189 3187745 SPBio_002736 C[C@@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I19 compound treatment 0.0041 0.00411 0.41 0.0051 0.00573 0.43 0.5925 0.9995 3189575 SPBio_002737 N[C@H](CCONC(=N)N)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I20 compound treatment 0.0041 0.00411 0.41 -0.0029 -0.00225 -0.17 0.1665 0.3789 3069544 SPBio_002738 CO[C@@H]1C=C2CCN(C)[C@@H]2C3[C@H]1OC(=O)c4cc5OCOc5cc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I21 compound treatment 0.0021 0.00211 0.21 0.0021 0.00274 0.21 0.2933 1.0 1530 SPBio_002739 COc1ccc2c3CCN=C(C)c3[nH]c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I22 compound treatment 0.0021 0.00211 0.21 -9.0E-4 -2.68E-4 -0.02 0.1327 0.6352 3187746 SPBio_002740 CCN1C[C@]2(C)CC[C@H](O)C3(C2CC4[C@H]13)C5C[C@H](O)C6C[C@]45[C@H](O)C6=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I23 mock treatment 0.0071 0.00711 0.7 0.0031 0.00373 0.28 0.6951 0.9199 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 I24 mock treatment -0.0029 -0.00289 -0.28 1.0E-4 7.39E-4 0.06 -0.162 -0.5581 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J01 mock treatment -0.0029 -0.00289 -0.28 -0.0099 -0.00927 -0.7 -0.6962 -0.9216 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J02 mock treatment -9.0E-4 -8.93E-4 -0.09 1.0E-4 7.39E-4 0.06 -0.0228 -0.219 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J03 compound treatment -0.0039 -0.00389 -0.38 -0.0059 -0.00525 -0.4 -0.5517 -0.9999 1429 SPBio_002741 CCCCOC(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J04 compound treatment 1.0E-4 1.07E-4 0.01 1.0E-4 7.39E-4 0.06 0.0469 0.8266 3187888 SPBio_002742 O=C1OC2(C[C@H]3C=CC2=C1)[C@H]4CCCCN34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J05 compound treatment 0.0051 0.00511 0.5 -0.0049 -0.00427 -0.32 0.1287 0.215 867 SPBio_002743 Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J06 compound treatment -0.0029 -0.00289 -0.28 0.0011 0.00174 0.13 -0.1088 -0.3469 3044756 SPBio_002744 CC(CN(C)C)CN1c2ccccc2Sc3ccccc13.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J07 compound treatment 0.0041 0.00409 0.4 -9.0E-4 -2.68E-4 -0.02 0.2708 0.6707 1001 SPBio_002745 CN(C)CCOC(=O)COc1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J08 compound treatment 0.0041 0.00409 0.4 0.0011 0.00173 0.13 0.3775 0.8907 3187889 SPBio_002746 CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J09 compound treatment -0.0019 -0.00189 -0.19 -0.0039 -0.00327 -0.25 -0.3065 -0.9905 3069584 SPBio_002747 [O-][N+](=O)c1ccc(/C=N/N2CC(CN3CCOCC3)OC2=O)o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J10 compound treatment -9.0E-4 -8.93E-4 -0.09 -0.0039 -0.00327 -0.25 -0.2367 -0.9036 1057 SPBio_002748 OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J11 compound treatment 0.0061 0.00611 0.6 -9.0E-4 -2.68E-4 -0.02 0.4117 0.6829 837 SPBio_002749 CCOc1ccc2NC(C)(C)C=C(C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J12 compound treatment -0.0039 -0.00389 -0.38 -0.0049 -0.00427 -0.32 -0.4994 -0.9962 3069693 SPBio_002750 CN(C)CCCO[C@H]1[C@H](OC2OC(C)(C)O[C@@H]12)C(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J13 compound treatment 0.0071 0.00709 0.7 1.0E-4 7.32E-4 0.06 0.5334 0.7606 2575 SPBio_002751 CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J14 compound treatment -9.0E-4 -8.93E-4 -0.09 -0.0029 -0.00227 -0.17 -0.1834 -0.9522 2710 SPBio_002752 COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J15 compound treatment 1.0E-4 1.07E-4 0.01 -0.0049 -0.00427 -0.32 -0.2202 -0.6835 3187758 SPBio_002753 NC(=N)NCC1COC2(CCCCC2)O1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J16 compound treatment 1.0E-4 1.07E-4 0.01 -0.0029 -0.00227 -0.17 -0.1134 -0.662 3452 SPBio_002754 CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J17 compound treatment 0.0021 0.00211 0.21 0.0051 0.00575 0.43 0.454 0.9431 3060003 SPBio_002755 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H](O)C3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J18 compound treatment 0.0061 0.00611 0.6 0.0051 0.00573 0.43 0.732 0.9868 3487254 SPBio_002756 CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J19 compound treatment 0.0051 0.00509 0.5 -0.0019 -0.00126 -0.1 0.2873 0.5625 1094 SPBio_002757 COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J20 compound treatment 0.0081 0.00811 0.8 1.0E-4 7.39E-4 0.06 0.6052 0.7546 3069696 SPBio_002758 CN(C)[C@H]1C2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J21 compound treatment 0.0021 0.00211 0.21 0.0061 0.00673 0.51 0.5069 0.9224 888 SPBio_002759 CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J22 compound treatment 0.0031 0.00311 0.31 -0.0029 -0.00227 -0.17 0.0958 0.2729 1405 SPBio_002760 C[C@@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J23 mock treatment 0.0031 0.00311 0.31 1.0E-4 7.39E-4 0.06 0.2564 0.8221 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 J24 mock treatment -0.0099 -0.00989 -0.98 -0.0019 -0.00127 -0.1 -0.7576 -0.7726 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K01 mock treatment 1.0E-4 1.17E-4 0.01 -0.0089 -0.00827 -0.62 -0.4332 -0.6939 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K02 mock treatment -0.0049 -0.00489 -0.48 1.0E-4 7.39E-4 0.06 -0.3018 -0.6213 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K03 compound treatment -0.0589 -0.0589 -5.81 -0.0569 -0.0562 -4.25 -7.1114 -0.9881 1578 SPBio_002761 CC1=NCCc2c1[nH]c3cc(O)ccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K04 compound treatment 0.0011 0.00111 0.11 -0.0029 -0.00227 -0.17 -0.0439 -0.2159 3187747 SPBio_002762 COc1cc(ccc1O)C(=O)OC2CC3CCC(C2)N3C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K05 compound treatment -0.0029 -0.00289 -0.29 0.0081 0.00873 0.66 0.2644 0.368 1043296 SPBio_002763 Cc1nccc2c3ccc(O)cc3[nH]c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K06 compound treatment 0.0121 0.0121 1.19 0.0031 0.00373 0.28 1.0427 0.8508 3187748 SPBio_002764 CC(=O)O[C@H]1C2[C@]3([C@H]4[C@@H]5[C@@H](O)[C@@H]1C(=C)CC52CC6C37)[C@H](OC(=O)C)[C@H](C[C@@]7(C)CN46)OC(=O)c8ccccc8 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K07 compound treatment 0.0151 0.0151 1.49 0.0051 0.00573 0.43 1.3583 0.8764 297849 SPBio_002765 COc1ccc2c(c1)[nH]c3c(C)nccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K08 compound treatment 0.0041 0.00411 0.41 1.0E-4 7.52E-4 0.06 0.3266 0.7984 1047 SPBio_002766 CN(C)CCCN1c2ccccc2Sc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K09 compound treatment -0.0019 -0.00189 -0.19 -0.0019 -0.00127 -0.1 -0.1996 -0.9516 2057 SPBio_002767 Cc1c2[nH]c3ccccc3c2c(C)c4cnccc14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K10 compound treatment 0.0041 0.00411 0.41 -0.0029 -0.00227 -0.17 0.1657 0.3763 1177 SPBio_002768 Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K11 compound treatment 0.0041 0.00411 0.41 -0.0039 -0.00327 -0.25 0.112 0.2361 3069524 SPBio_002769 O=C1C=CC(=O)c2c1ccc3c2ccc4ccccc43 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K12 compound treatment 0.0041 0.00411 0.41 -0.0049 -0.00426 -0.32 0.0588 0.1137 1463 SPBio_002770 COc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K13 compound treatment -0.0039 -0.00389 -0.38 -0.0019 -0.00126 -0.1 -0.339 -0.8568 3189576 SPBio_002771 CN(CCCCCCCCCCN(C)C(=O)Oc1ccccc1[N+](C)(C)C)C(=O)Oc2ccccc2[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K14 compound treatment -0.0039 -0.00389 -0.38 -0.0059 -0.00527 -0.4 -0.5528 -0.9998 1424515 SPBio_002772 CCN1C(=O)NC(C1=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K15 compound treatment -0.0029 -0.00289 -0.29 0.0011 0.00173 0.13 -0.1093 -0.3483 1494 SPBio_002773 C1CN(CCN1)c2ccc3ccccc3n2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K16 compound treatment 0.0061 0.00611 0.6 -0.0079 -0.00727 -0.55 0.038 0.0466 3069570 SPBio_002774 C[C@@]12CCC3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K17 compound treatment 0.0051 0.00511 0.5 0.0071 0.00775 0.59 0.77 0.9972 3069525 SPBio_002775 C1CCN2C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K18 compound treatment -9.0E-4 -8.89E-4 -0.09 -9.0E-4 -2.68E-4 -0.02 -0.0763 -0.8482 1444 SPBio_002776 C1CN=C(N1)C2CCCc3ccccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K19 compound treatment 0.0041 0.00411 0.41 0.0041 0.00473 0.36 0.5391 0.998 3043 SPBio_002777 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(OC(=O)C)C(=O)COC(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K20 compound treatment 0.0021 0.00211 0.21 0.0071 0.00773 0.58 0.5597 0.9034 1070 SPBio_002778 CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K21 compound treatment 0.0031 0.00311 0.31 -0.0019 -0.00127 -0.1 0.1492 0.4647 1035065 SPBio_002779 Cc1nccc2c3ccccc3[nH]c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K22 compound treatment 1.0E-4 1.17E-4 0.01 0.0031 0.00373 0.28 0.2075 0.7354 1000312 SPBio_002780 CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K23 mock treatment 1.0E-4 1.07E-4 0.01 -0.0029 -0.00227 -0.17 -0.1134 -0.662 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 K24 mock treatment -0.0109 -0.0109 -1.08 -0.0069 -0.00627 -0.47 -1.0953 -0.9319 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L01 mock treatment -0.0069 -0.00688 -0.68 -0.0039 -0.00327 -0.25 -0.6545 -0.9061 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L02 mock treatment -0.0049 -0.00489 -0.48 -0.0039 -0.00327 -0.25 -0.5153 -0.9515 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L03 compound treatment -9.0E-4 -8.89E-4 -0.09 1.0E-4 7.39E-4 0.06 -0.0225 -0.217 3187759 SPBio_002781 CCC(=O)OCC(=O)C1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L04 compound treatment 0.0011 0.00111 0.11 0.0051 0.00573 0.43 0.3832 0.8587 712 SPBio_002782 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L05 compound treatment 0.0051 0.00511 0.5 -0.0019 -0.00127 -0.1 0.2888 0.5628 1499 SPBio_002783 Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L06 compound treatment -0.0039 -0.00389 -0.38 -0.0059 -0.00527 -0.4 -0.5528 -0.9998 3187892 SPBio_002784 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)C3(O)C(=C2C(=O)c4c(O)cccc14)O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L07 compound treatment -9.0E-4 -8.93E-4 -0.09 0.0021 0.00275 0.21 0.0846 0.3751 3069624 SPBio_002785 CC[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]2CC[C@@]1(O)C#C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L08 compound treatment 0.0021 0.00209 0.21 -0.0029 -0.00227 -0.17 0.0245 0.0915 1000323 SPBio_002786 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L09 compound treatment -0.0029 -0.00289 -0.29 -0.0019 -0.00127 -0.1 -0.2693 -0.895 3187760 SPBio_002787 CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L10 compound treatment -0.0049 -0.00489 -0.48 0.0031 0.00373 0.28 -0.1418 -0.2538 3187893 SPBio_002788 CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)/[C@H](C)[C@@H](O)[C@]1(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L11 compound treatment -0.0039 -0.00389 -0.38 0.0011 0.00173 0.13 -0.1791 -0.4415 934 SPBio_002789 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L12 compound treatment 0.0181 0.0181 1.79 0.0171 0.0178 1.34 2.2106 0.99 1000270 SPBio_002790 CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L13 compound treatment -0.0019 -0.00189 -0.19 1.0E-4 7.32E-4 0.06 -0.0929 -0.4774 896 SPBio_002791 COc1ccccc1OCC(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L14 compound treatment -0.0189 -0.0189 -1.87 -0.0199 -0.0192 -1.45 -2.3467 -0.9924 865 SPBio_002792 Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L15 compound treatment 0.0051 0.00511 0.5 0.0101 0.0108 0.81 0.9304 0.9737 1324 SPBio_002793 CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L16 compound treatment -0.0019 -0.00189 -0.19 1.0E-4 7.32E-4 0.06 -0.0926 -0.4768 3069698 SPBio_002794 CC(C)(C)NC[C@@H](O)COc1cccc2C(=O)CCCc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L17 compound treatment 0.0021 0.00211 0.21 0.0061 0.00675 0.51 0.5074 0.9218 1338 SPBio_002795 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L18 compound treatment -9.0E-4 -8.83E-4 -0.09 0.0041 0.00473 0.36 0.191 0.5194 1215118 SPBio_002796 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L19 compound treatment -9.0E-4 -8.83E-4 -0.09 1.0E-4 7.32E-4 0.06 -0.0225 -0.2186 1533 SPBio_002797 Cc1cc(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L20 compound treatment -0.0049 -0.00489 -0.48 -0.0029 -0.00227 -0.17 -0.4623 -0.9029 1736 SPBio_002798 CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L21 compound treatment 0.0011 0.00111 0.11 -0.0029 -0.00225 -0.17 -0.0428 -0.212 956 SPBio_002799 CCn1nc(C(=O)O)c(=O)c2cc3OCOc3cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L22 compound treatment -0.0099 -0.00991 -0.98 -0.0069 -0.00627 -0.47 -1.0256 -0.9445 3069699 SPBio_002800 C[C@@H]1NC(=O)NC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L23 mock treatment -9.0E-4 -8.88E-4 -0.09 -9.0E-4 -2.65E-4 -0.02 -0.0761 -0.847 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 L24 mock treatment -0.0069 -0.00689 -0.68 -9.0E-4 -2.65E-4 -0.02 -0.4946 -0.7276 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M01 mock treatment 0.0031 0.00311 0.31 -0.0039 -0.00327 -0.25 0.0424 0.1078 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M02 mock treatment 0.0051 0.00511 0.5 1.0E-4 7.32E-4 0.06 0.3953 0.78 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M03 compound treatment 0.0071 0.00711 0.7 0.0061 0.00673 0.51 0.8555 0.9875 1048750 SPBio_002801 COc1ccc2[nH]c3C(=NCCc3c2c1)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M04 compound treatment 0.0751 0.0751 7.41 0.0521 0.0528 3.98 8.0534 0.9577 1005 SPBio_002802 OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M05 compound treatment 0.0021 0.00211 0.21 0.0041 0.00473 0.36 0.3997 0.9667 3069526 SPBio_002803 C[N+]1(C)CCC[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M06 compound treatment -0.0019 -0.00187 -0.18 0.0061 0.00675 0.51 0.2298 0.4239 1603 SPBio_002804 OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M07 compound treatment 0.0061 0.00609 0.6 0.0051 0.00575 0.43 0.7316 0.9873 2709 SPBio_002805 Cc1ncc(CO)c(CO)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M08 compound treatment 0.0061 0.00609 0.6 0.0071 0.00775 0.59 0.8384 0.9999 907320 SPBio_002806 CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(c3ccccc3)c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M09 compound treatment 0.0071 0.00709 0.7 0.0021 0.00273 0.21 0.6402 0.8783 3189578 SPBio_002807 O=c1cccc2[C@@H]3CNCC(C3)Cn21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M10 compound treatment 0.0021 0.00211 0.21 0.0021 0.00274 0.21 0.293 1.0 955 SPBio_002808 CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M11 compound treatment 0.0091 0.00911 0.9 -0.0039 -0.00327 -0.25 0.4612 0.4949 1039072 SPBio_002809 CN1C2CCCC1CC(=O)C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M12 compound treatment -9.0E-4 -8.93E-4 -0.09 0.0091 0.00975 0.74 0.4583 0.6181 1286 SPBio_002810 Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M13 compound treatment 0.0141 0.0141 1.39 0.0011 0.00173 0.13 1.075 0.7702 3189579 SPBio_002811 CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M14 compound treatment 0.0061 0.00611 0.6 0.0021 0.00274 0.21 0.572 0.8982 863 SPBio_002812 CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M15 compound treatment 0.0021 0.00211 0.21 -0.0029 -0.00225 -0.17 0.0272 0.1014 3069527 SPBio_002813 Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O)cnc2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M16 compound treatment -0.0029 -0.00289 -0.29 0.0081 0.00873 0.66 0.2644 0.368 1441 SPBio_002814 CN1CCC(CC1)OC(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M17 compound treatment 0.0151 0.0151 1.49 0.0051 0.00575 0.43 1.3594 0.8769 3189580 SPBio_002815 C[C@@H]1NCCc2cc(O)c(O)cc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M18 compound treatment 0.0081 0.00811 0.8 0.0121 0.0128 0.96 1.2462 0.9958 1373 SPBio_002816 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M19 compound treatment 0.0031 0.00311 0.31 0.0011 0.00173 0.13 0.3092 0.9278 1014994 SPBio_002817 CN(C)Cc1c[nH]c2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M20 compound treatment 0.0061 0.00611 0.6 0.0081 0.00873 0.66 0.8926 0.999 1012 SPBio_002818 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M21 compound treatment 0.0131 0.0131 1.29 -0.0029 -0.00227 -0.17 0.7917 0.608 3189581 SPBio_002819 CCCCc1cc2ccccc2c(OCCN(C)C)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M22 compound treatment -0.0019 -0.00189 -0.19 -0.0029 -0.00225 -0.17 -0.252 -0.9989 2117332 SPBio_002820 C[C@@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]2(O)CC[C@@H]1C5=CC(=O)OC5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M23 mock treatment 0.0071 0.00711 0.7 -0.0429 -0.0423 -3.19 -1.7604 -0.5388 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 M24 mock treatment 0.0101 0.0101 1.0 0.0041 0.00473 0.36 0.9562 0.9044 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N01 mock treatment 0.0011 0.00111 0.11 0.0061 0.00673 0.51 0.4369 0.8404 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N02 mock treatment 0.0021 0.00211 0.21 0.0011 0.00174 0.13 0.2401 0.9752 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N03 compound treatment 0.0201 0.0201 1.98 0.0171 0.0178 1.34 2.3492 0.9819 3069627 SPBio_002821 CCC(=O)OC1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)C(=O)CCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N04 compound treatment 0.0201 0.0201 1.98 0.0091 0.00975 0.74 1.9231 0.909 1764 SPBio_002822 NCC1(CC(=O)O)CCCCC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N05 compound treatment 0.0071 0.00711 0.7 0.0061 0.00673 0.51 0.8551 0.9875 1001531 SPBio_002823 COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N06 compound treatment 0.0341 0.0341 3.36 0.0271 0.0278 2.1 3.8604 0.974 1694 SPBio_002824 Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N07 compound treatment 0.0021 0.00211 0.21 0.0061 0.00675 0.51 0.5074 0.9218 877 SPBio_002825 CC(C)(Oc1ccc(Cl)cc1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N08 compound treatment 0.0071 0.00709 0.7 0.0021 0.00273 0.21 0.6402 0.8783 2764 SPBio_002826 CC(O)(P(=O)(O)O)P(=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N09 compound treatment -0.0089 -0.00889 -0.88 -0.0059 -0.00525 -0.4 -0.9004 -0.9355 917 SPBio_002827 NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N10 compound treatment 0.0041 0.00411 0.41 1.0E-4 7.32E-4 0.06 0.3255 0.7961 3069700 SPBio_002828 C[C@H]1NC(=O)NC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N11 compound treatment 0.0051 0.00511 0.5 0.0021 0.00274 0.21 0.5023 0.9225 1481 SPBio_002829 Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc4ccccc14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N12 compound treatment 0.0021 0.00211 0.21 -0.0039 -0.00327 -0.25 -0.0275 -0.0852 1000094 SPBio_002830 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N13 compound treatment 0.0031 0.00311 0.31 0.0011 0.00173 0.13 0.3092 0.9278 3092 SPBio_002831 Cn1ccnc1S 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N14 compound treatment 0.0041 0.00411 0.41 1.0E-4 7.32E-4 0.06 0.3259 0.7961 3187895 SPBio_002832 Nc1ncn(C2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N15 compound treatment 1.0E-4 1.17E-4 0.01 -9.0E-4 -2.68E-4 -0.02 -0.0062 -0.2652 1043 SPBio_002833 O[Hg]c1c(O)c(Br)cc2c(c3ccccc3C(=O)O)c4cc(Br)c(=O)cc4oc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N16 compound treatment -0.0039 -0.00389 -0.38 -0.0049 -0.00425 -0.32 -0.4983 -0.996 3187896 SPBio_002834 NCC1OC(O[C@@H]2C(O)[C@H](OC3C(O)C(N)CC(N)C3OC4OC(CO)C(O)C(O)C4N)O[C@@H]2CO)C(N)C(O)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N17 compound treatment 0.0181 0.0181 1.78 0.0101 0.0108 0.81 1.8355 0.9364 3187761 SPBio_002835 CC(CNC1CCCCC1)OC(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N18 compound treatment 0.0111 0.0111 1.09 0.0041 0.00473 0.36 1.0262 0.8917 1267 SPBio_002836 CC(=O)Nc1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N19 compound treatment 0.0071 0.00711 0.7 0.0031 0.00373 0.28 0.6949 0.9198 793 SPBio_002837 CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N20 compound treatment 0.0011 0.00111 0.11 0.0121 0.0128 0.96 0.7581 0.7823 1604 SPBio_002838 OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N21 compound treatment -0.0029 -0.00289 -0.28 0.0091 0.00975 0.74 0.3191 0.4043 2080598 SPBio_002839 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N22 compound treatment -0.0039 -0.00389 -0.38 0.0021 0.00273 0.21 -0.1252 -0.2875 2137 SPBio_002840 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N23 mock treatment 0.0011 0.00112 0.11 0.0101 0.0107 0.81 0.6509 0.7959 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 N24 mock treatment 1.0E-4 1.07E-4 0.01 -0.0039 -0.00327 -0.25 -0.167 -0.6761 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O01 mock treatment -0.0029 -0.00289 -0.29 0.0021 0.00273 0.21 -0.0558 -0.1584 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O02 mock treatment -9.0E-4 -8.93E-4 -0.09 0.0071 0.00773 0.58 0.3505 0.5937 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O03 compound treatment -0.0149 -0.0149 -1.47 -0.0129 -0.0122 -0.92 -1.694 -0.975 3382 SPBio_002841 Cc1c(CCO)sc[n+]1Cc2cnc(C)nc2N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O04 compound treatment 0.0041 0.00411 0.41 0.0021 0.00273 0.21 0.4325 0.9511 1155 SPBio_002842 Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O05 compound treatment -0.0129 -0.0129 -1.27 -0.0109 -0.0102 -0.77 -1.4476 -0.9714 3487152 SPBio_002843 CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O06 compound treatment 0.0051 0.00511 0.5 0.0041 0.00473 0.36 0.6091 0.9857 1513 SPBio_002844 CCOC(=O)c1ccc(N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O07 compound treatment -0.0079 -0.00789 -0.78 -0.015 -0.0143 -1.08 -1.3165 -0.9869 2041 SPBio_002845 OC(=O)CNC(=O)C(CS)Cc1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O08 compound treatment 0.0041 0.00409 0.4 0.0091 0.00975 0.74 0.8057 0.9598 1242 SPBio_002846 CN(CS(=O)(=O)O)c1c(C)n(C)n(c2ccccc2)c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O09 compound treatment -0.0119 -0.0119 -1.17 -0.0089 -0.00826 -0.62 -1.2707 -0.9563 1015808 SPBio_002847 Cc1cc2nc3c(=O)[nH]c(=O)nc3n(CC(O)C(O)C(O)CO)c2cc1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O10 compound treatment 1.0E-4 1.07E-4 0.01 0.0031 0.00373 0.28 0.2067 0.7332 1064 SPBio_002848 [O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O11 compound treatment -0.0059 -0.00588 -0.58 -9.0E-4 -2.68E-4 -0.02 -0.4246 -0.7313 3189582 SPBio_002849 CC[C@H]1CN2CCC1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O12 compound treatment 0.0041 0.00411 0.41 0.0041 0.00475 0.36 0.5401 0.9982 1668673 SPBio_002850 Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)nn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O13 compound treatment 0.0041 0.00411 0.41 0.0021 0.00273 0.21 0.4326 0.9508 824 SPBio_002851 CC[C@]1(CCCN2CCc3c4[C@@H]21)C[C@@](O)(C(=O)OC)n4c5ccccc35 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O14 compound treatment -9.0E-4 -8.88E-4 -0.09 -0.0019 -0.00127 -0.1 -0.1295 -0.9991 1467 SPBio_002852 CCCCOc1ccc(OCCCN2CCOCC2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O15 compound treatment 0.0071 0.00711 0.7 0.0031 0.00373 0.28 0.6951 0.9199 3069528 SPBio_002853 C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O16 compound treatment 0.0041 0.00411 0.41 0.0061 0.00675 0.51 0.6469 0.9935 3069574 SPBio_002854 CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O17 compound treatment 0.0051 0.00509 0.5 0.0071 0.00775 0.59 0.7687 0.9971 3187609 SPBio_002855 C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O18 compound treatment -0.0049 -0.00489 -0.48 -9.0E-4 -2.68E-4 -0.02 -0.3553 -0.7362 2081008 SPBio_002856 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O19 compound treatment -0.0019 -0.00189 -0.19 -9.0E-4 -2.68E-4 -0.02 -0.146 -0.7794 3187610 SPBio_002857 CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)C4C[C@]5(O[C@]6(O)[C@H]7[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]5[C@@]41O)[C@@]7(C)CC[C@@H]6OC(=O)C(C)(O)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O20 compound treatment 1.0E-4 1.07E-4 0.01 0.0041 0.00473 0.36 0.2601 0.7278 759 SPBio_002858 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O21 compound treatment -0.0059 -0.00589 -0.58 0.0021 0.00273 0.21 -0.265 -0.4296 3069529 SPBio_002859 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]6(C[C@@H](O[C@@H]7OC(CO)[C@@H](O)[C@@H](O)C7O)[C@@H](O)C(CO)O6)O[C@H]8OC(C)[C@H](O)[C@H](O)C8O)N9C[C@@H](C)CC[C@H]19 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O22 compound treatment 0.0021 0.00211 0.21 0.0051 0.00573 0.43 0.4534 0.9437 3187749 SPBio_002860 CO/N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)\c3ccco3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O23 mock treatment 1.0E-4 1.16E-4 0.01 1.0E-4 7.32E-4 0.06 0.0472 0.8362 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 O24 mock treatment 0.0021 0.00211 0.21 -9.0E-4 -2.68E-4 -0.02 0.133 0.6353 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P01 mock treatment -0.0019 -0.00189 -0.19 -0.0019 -0.00127 -0.1 -0.1993 -0.9519 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P02 mock treatment 0.0071 0.00711 0.7 0.0061 0.00675 0.51 0.8562 0.9877 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P03 compound treatment 0.0041 0.00411 0.41 0.0011 0.00173 0.13 0.3792 0.8899 890 SPBio_002861 COc1ccc2cc(ccc2c1)[C@H](C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P04 compound treatment 0.0041 0.00411 0.41 -0.0029 -0.00227 -0.17 0.1658 0.3768 3069701 SPBio_002862 C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P05 compound treatment -0.0049 -0.00489 -0.48 -9.0E-4 -2.48E-4 -0.02 -0.3545 -0.734 244 SPBio_002863 CC[N+](C)(CC)CCC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P06 compound treatment 0.0041 0.00411 0.41 0.0021 0.00273 0.21 0.4323 0.9509 3487261 SPBio_002864 COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P07 compound treatment 0.0051 0.00511 0.5 0.0041 0.00473 0.36 0.6088 0.9858 1431 SPBio_002865 Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P08 compound treatment 0.0271 0.0271 2.67 0.0251 0.0258 1.94 3.2642 0.9878 856 SPBio_002866 Cn1c(=O)n(C)c2nc[nH]c2c1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P09 compound treatment 0.0051 0.00511 0.5 0.0041 0.00473 0.36 0.6088 0.9858 3187762 SPBio_002867 CC1CC(CC(C)(C)N1C)OC(=O)C(O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P10 compound treatment 0.0021 0.00211 0.21 0.0021 0.00273 0.21 0.2933 1.0 1222 SPBio_002868 Cn1cnc2n(C)c(=O)[nH]c(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P11 compound treatment 0.0031 0.00311 0.31 -0.0019 -0.00127 -0.1 0.1495 0.465 3383 SPBio_002869 Cc1cc(no1)C(=O)NNCc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P12 compound treatment 0.0011 0.00111 0.11 0.0031 0.00373 0.28 0.2768 0.9154 687 SPBio_002870 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P13 compound treatment 0.0051 0.00509 0.5 0.0061 0.00675 0.51 0.7153 1.0 2105063 SPBio_002871 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P14 compound treatment 0.0051 0.00511 0.5 0.0061 0.00673 0.51 0.7158 1.0 989 SPBio_002872 NC(=N)NCCCCNC(=N)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P15 compound treatment 0.0011 0.00111 0.11 -9.0E-4 -2.68E-4 -0.02 0.0629 0.5663 2752 SPBio_002873 COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P16 compound treatment 0.0401 0.0401 3.95 0.0301 0.0308 2.32 4.4377 0.9678 3060919 SPBio_002874 CN1C2CC(CC1C3OC32)OC(=O)[C@H](CO)c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P17 compound treatment 0.0031 0.00311 0.31 0.0041 0.00473 0.36 0.4698 0.9971 1370 SPBio_002875 C/C=C(/C(=C/C)/c1ccc(O)cc1)\c2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P18 compound treatment -0.0079 -0.00789 -0.78 1.0E-4 7.32E-4 0.06 -0.5112 -0.6553 3487262 SPBio_002876 OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P19 compound treatment -0.0049 -0.00489 -0.48 -9.0E-4 -2.68E-4 -0.02 -0.3552 -0.7362 1328 SPBio_002877 OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P20 compound treatment 0.0061 0.00611 0.6 0.0011 0.00173 0.13 0.5184 0.841 446 SPBio_002878 COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P21 compound treatment -9.0E-4 -8.88E-4 -0.09 0.0011 0.00173 0.13 0.0307 0.1948 794 SPBio_002879 Nc1cc(c[nH]c1=O)c2ccncc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P22 compound treatment -0.0029 -0.00289 -0.29 0.0041 0.00473 0.36 0.0508 0.1112 1327 SPBio_002880 C[N+](C)(C)CCOC(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P23 mock treatment 0.0041 0.00411 0.41 0.0011 0.00173 0.13 0.3789 0.8901 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2166 P24 mock treatment 0.0031 0.00311 0.31 -0.0059 -0.00527 -0.4 -0.0645 -0.1285 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A01 mock treatment -0.004 -0.00407 -0.4 0.0029 0.00458 0.35 -0.0396 -0.0747 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A02 mock treatment 0.001 9.27E-4 0.09 9.0E-4 0.00258 0.19 0.2024 0.9405 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A03 compound treatment 0.002 0.00193 0.19 0.0029 0.00458 0.35 0.3789 0.9603 1300 SPBio_002881 OC(=O)c1cccnc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A04 compound treatment 0.004 0.00393 0.39 -1.0E-4 0.00158 0.12 0.3582 0.8839 1073908 SPBio_002882 CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A05 compound treatment 0.001 9.29E-4 0.09 0.0039 0.00557 0.42 0.3624 0.8413 2819 SPBio_002883 CCC1(C)CC(=O)NC(=O)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A06 compound treatment 0.0 -7.13E-5 -0.01 9.0E-4 0.00258 0.19 0.1328 0.6811 1322 SPBio_002884 COc1cc2ccc(=O)oc2cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A07 compound treatment 0.002 0.00193 0.19 -0.0051 -0.00342 -0.26 -0.0481 -0.1498 3187897 SPBio_002885 C[C@]12[C@H](CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H]1O)C5=CC(=O)OC5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A08 compound treatment -0.004 -0.00407 -0.4 -0.0021 -4.16E-4 -0.03 -0.3063 -0.7601 1081653 SPBio_002886 Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A09 compound treatment -0.002 -0.00207 -0.2 -1.0E-4 0.00158 0.12 -0.0603 -0.2546 4370 SPBio_002887 CNCC(O)C(O)C(O)C(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A10 compound treatment -0.003 -0.00307 -0.3 -0.0071 -0.00544 -0.41 -0.5048 -0.9888 1203 SPBio_002888 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A11 compound treatment -0.002 -0.00207 -0.2 0.0029 0.00458 0.35 0.1001 0.249 3172726 SPBio_002889 C[C@]12C3CCC(O3)[C@]2(C)C(=O)OC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A12 compound treatment -0.008 -0.00807 -0.8 -0.0051 -0.00342 -0.26 -0.7457 -0.8907 2060138 SPBio_002890 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A13 compound treatment -0.002 -0.00207 -0.2 -0.0031 -0.00142 -0.11 -0.2203 -0.9547 1999 SPBio_002891 Oc1c(I)cc(Cl)c2cccnc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A14 compound treatment -0.011 -0.0111 -1.09 -0.0071 -0.00542 -0.41 -1.0615 -0.9101 3480627 SPBio_002892 CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A15 compound treatment -0.006 -0.00607 -0.6 -0.0031 -0.00142 -0.11 -0.4994 -0.8206 838 SPBio_002893 COc1ccc(C(=O)c2ccccc2)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A16 compound treatment 0.005 0.00493 0.49 0.0039 0.00557 0.42 0.6412 0.9974 3188025 SPBio_002894 CN1C2CC(O)C1CC(=O)C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A17 compound treatment 0.003 0.00293 0.29 -0.0011 5.8E-4 0.04 0.2352 0.8051 681 SPBio_002895 CC(CN1c2ccccc2Sc3ccccc13)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A18 compound treatment -0.0509 -0.051 -5.03 -0.0071 -0.00542 -0.41 -3.8489 -0.7621 3855 SPBio_002896 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A19 compound treatment -0.001 -0.00107 -0.11 0.0019 0.00358 0.27 0.1165 0.4008 1225 SPBio_002897 Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A20 compound treatment -0.0149 -0.015 -1.48 -0.0021 -4.16E-4 -0.03 -1.0708 -0.7219 1040327 SPBio_002898 CC(=O)Nc1cc2ccccc2oc1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A21 compound treatment -0.001 -0.00107 -0.11 -0.0031 -0.00142 -0.11 -0.1507 -1.0 3487233 SPBio_002899 CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A22 compound treatment 0.008 0.00793 0.78 0.0029 0.00458 0.35 0.7974 0.9327 1120 SPBio_002900 Oc1ccc(cc1[N+](=O)[O-])[As](=O)(O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A23 mock treatment 0.004 0.00393 0.39 -0.0031 -0.00142 -0.11 0.1981 0.4929 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 A24 mock treatment 0.0 -7.13E-5 -0.01 -0.0071 -0.00544 -0.41 -0.2954 -0.7191 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B01 mock treatment -0.0079 -0.00803 -0.79 -0.0071 -0.00543 -0.41 -0.8499 -0.9528 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B02 mock treatment -0.007 -0.00707 -0.7 -1.0E-4 0.00158 0.12 -0.409 -0.5778 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B03 compound treatment -0.011 -0.0111 -1.09 -0.0061 -0.00442 -0.33 -1.0081 -0.8827 3069812 SPBio_002901 CCOC(=O)c1cncn1C(C)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B04 mock treatment -0.001 -0.00107 -0.11 0.0049 0.00656 0.5 0.2753 0.5437 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B05 compound treatment -0.005 -0.00507 -0.5 -0.0061 -0.00444 -0.34 -0.5909 -0.981 3188157 SPBio_002902 CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B06 mock treatment -0.0159 -0.016 -1.58 -0.0201 -0.0184 -1.39 -2.1026 -0.998 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B07 compound treatment -0.005 -0.00507 -0.5 -0.0021 -4.2E-4 -0.03 -0.3763 -0.7504 3487585 SPBio_002903 CC(C)(C)NCC(O)COc1ccccc1C2CCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B08 mock treatment -0.003 -0.00307 -0.3 -0.0021 -4.16E-4 -0.03 -0.2364 -0.7763 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B09 compound treatment -0.001 -0.00107 -0.11 -0.0091 -0.00744 -0.56 -0.472 -0.8258 3188158 SPBio_002904 CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)COC(=O)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B10 mock treatment -0.002 -0.00207 -0.2 0.0029 0.00458 0.35 0.0999 0.2486 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B11 compound treatment -0.002 -0.00207 -0.2 -0.0011 5.8E-4 0.04 -0.1137 -0.5434 3069813 SPBio_002905 Clc1ccc(C(Cn2ccnc2)OCc3csc4c(Cl)cccc34)c(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B12 mock treatment 0.001 9.27E-4 0.09 -0.0041 -0.00242 -0.18 -0.0646 -0.316 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B13 compound treatment -0.0089 -0.00903 -0.89 -0.0041 -0.00242 -0.18 -0.7593 -0.8347 3188159 SPBio_002906 CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B14 mock treatment -0.006 -0.00607 -0.6 -1.0E-4 0.00158 0.12 -0.3393 -0.5554 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B15 compound treatment -0.005 -0.00507 -0.5 -0.0061 -0.00442 -0.33 -0.5898 -0.9806 3168 SPBio_002907 NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B16 mock treatment 0.0161 0.016 1.57 0.0139 0.0156 1.17 1.9443 0.9896 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B17 compound treatment -0.009 -0.00907 -0.89 -0.0061 -0.00443 -0.33 -0.8689 -0.9098 3188160 SPBio_002908 CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B18 mock treatment -0.002 -0.00207 -0.2 -0.0051 -0.00342 -0.26 -0.3272 -0.9933 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B19 compound treatment -0.003 -0.00307 -0.3 -0.0011 5.75E-4 0.04 -0.1837 -0.5997 943 SPBio_002909 CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B20 mock treatment -0.011 -0.0111 -1.09 -0.0051 -0.00342 -0.26 -0.9549 -0.8508 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B21 compound treatment -0.0189 -0.019 -1.88 -0.0181 -0.0164 -1.24 -2.2053 -0.9799 3069814 SPBio_002910 CCC1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B22 mock treatment -0.0079 -0.00803 -0.79 -0.0041 -0.00242 -0.18 -0.6895 -0.8479 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B23 mock treatment -0.0069 -0.00703 -0.69 -0.0061 -0.00442 -0.33 -0.7265 -0.9437 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 B24 mock treatment -0.007 -0.00707 -0.7 -0.0041 -0.00242 -0.18 -0.6224 -0.8632 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C01 mock treatment 0.004 0.00393 0.39 0.0069 0.00857 0.65 0.7318 0.9699 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C02 mock treatment 0.004 0.00393 0.39 0.0049 0.00658 0.5 0.6251 0.9924 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C03 compound treatment 0.007 0.00693 0.68 0.0059 0.00758 0.57 0.8878 0.9961 1022907 SPBio_002911 CC(=O)c1cc2ccccc2oc1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C04 compound treatment 0.005 0.00493 0.49 0.0079 0.00957 0.72 0.8548 0.9813 3188026 SPBio_002912 CCN1CCC[C@H]1CNC(=O)c2c(OC)ccc(Br)c2OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C05 compound treatment 0.009 0.00893 0.88 0.0069 0.00858 0.65 1.0808 0.9886 3187898 SPBio_002913 OCC1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)C(O)[C@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C06 compound treatment 0.0171 0.017 1.67 0.0089 0.0106 0.8 1.7471 0.9425 864 SPBio_002914 Oc1noc2CNCCc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C07 compound treatment 0.006 0.00593 0.58 0.0059 0.00758 0.57 0.8184 0.9999 2776 SPBio_002915 OC(=O)Cc1ccc(cc1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C08 compound treatment 0.001 9.27E-4 0.09 0.0159 0.0176 1.33 1.0018 0.7541 1134931 SPBio_002916 Cc1ccc2n3CCNC4CCCc(c43)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C09 compound treatment 0.0061 0.00597 0.59 0.0719 0.0736 5.55 4.3431 0.7777 1012530 SPBio_002917 CCCCOC(=O)c1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C10 compound treatment 0.008 0.00793 0.78 0.1163 0.118 8.91 6.85 0.7662 1512 SPBio_002918 CC(C)NCC(O)c1ccc2ccccc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C11 compound treatment 0.0 -7.33E-5 -0.01 0.1453 0.147 11.09 7.8402 0.7066 1299 SPBio_002919 Nc1ccc(cc1)C(=O)NCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C12 compound treatment 0.0071 0.00697 0.69 0.1793 0.181 13.66 10.1462 0.7417 3480607 SPBio_002920 COc1ccccc1N2CCN(CC(O)COc3cccc4ccccc34)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C13 compound treatment 0.002 0.00193 0.19 0.1623 0.164 12.38 8.8869 0.7179 1231 SPBio_002921 CC(C)C[C@H](NC(=O)C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C14 compound treatment 0.0091 0.00901 0.89 0.1273 0.129 9.74 7.5136 0.7684 907524 SPBio_002922 CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C15 compound treatment -0.006 -0.00607 -0.6 0.0489 0.0506 3.82 2.2752 0.5889 1258 SPBio_002923 CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCNCC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C16 compound treatment 0.003 0.00293 0.29 -0.0011 5.8E-4 0.04 0.2351 0.8051 2372 SPBio_002924 COc1cc(ccc1OC(F)F)c2ccc(=O)[nH]n2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C17 compound treatment 0.006 0.00593 0.58 -0.0041 -0.00242 -0.18 0.2842 0.464 3059213 SPBio_002925 COc1ccc(C(=O)c2ccccc2O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C18 compound treatment 0.004 0.00393 0.39 -0.0081 -0.00644 -0.49 -0.0698 -0.1122 733 SPBio_002926 CC1(CC2CC3(C)C1)CC(N)(C2)C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C19 compound treatment 0.0031 0.00297 0.29 -1.0E-4 0.00158 0.12 0.2912 0.9216 3187899 SPBio_002927 C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C20 compound treatment 0.003 0.00293 0.29 -0.0041 -0.00243 -0.18 0.0747 0.2184 2742 SPBio_002928 OC(=O)/C=C/c1ccc(Cn2ccnc2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C21 compound treatment 0.001 9.27E-4 0.09 0.0039 0.00558 0.42 0.3627 0.8409 1019709 SPBio_002929 C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C22 compound treatment 0.0 -7.33E-5 -0.01 -1.0E-4 0.00158 0.12 0.0792 0.663 2245 SPBio_002930 C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C23 mock treatment 0.004 0.00393 0.39 0.0019 0.00358 0.27 0.465 0.9845 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 C24 mock treatment 0.007 0.00693 0.68 -0.0071 -0.00544 -0.41 0.1929 0.2419 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D01 mock treatment 0.002 0.00193 0.19 -1.0E-4 0.00158 0.12 0.2187 0.9748 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D02 mock treatment 0.002 0.00193 0.19 0.0059 0.00758 0.57 0.539 0.8939 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D03 compound treatment 0.006 0.00593 0.58 0.0069 0.00858 0.65 0.8714 0.9987 1267101 SPBio_002931 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D04 mock treatment 0.004 0.00393 0.39 0.0059 0.00758 0.57 0.6785 0.9819 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D05 compound treatment 0.002 0.00193 0.19 -1.0E-4 0.00158 0.12 0.2187 0.9748 1487 SPBio_002932 CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D06 mock treatment 0.002 0.00193 0.19 0.0059 0.00758 0.57 0.539 0.8939 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D07 compound treatment 0.003 0.00293 0.29 0.0199 0.0216 1.63 1.3551 0.8197 3188161 SPBio_002933 CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](/N=C/N3CCCCCC3)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D08 mock treatment 0.0071 0.00697 0.69 0.0519 0.0536 4.04 3.3449 0.8156 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D09 compound treatment -0.001 -0.00107 -0.11 0.0589 0.0606 4.57 3.1581 0.6905 3188162 SPBio_002934 CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c2ccccc2.OS(=O)(=O)c1ccc2ccccc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D10 mock treatment -0.0229 -0.023 -2.27 0.1733 0.175 13.21 7.7336 0.577 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D11 compound treatment 0.004 0.00393 0.39 0.2373 0.239 18.04 13.0305 0.7221 772 SPBio_002935 CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D12 mock treatment 0.0031 0.00297 0.29 0.2303 0.232 17.51 12.5909 0.7188 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D13 compound treatment 0.001 9.27E-4 0.09 0.2213 0.223 16.83 11.9671 0.7109 3069815 SPBio_002936 OC[C@H]1O[C@H](C[C@H]1O)n2cc(c(=O)[nH]c2=O)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D14 mock treatment -0.002 -0.00207 -0.2 0.1953 0.197 14.87 10.3698 0.6973 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D15 compound treatment -0.0049 -0.00499 -0.49 0.1003 0.102 7.7 5.0958 0.6605 1001977 SPBio_002937 CC(C)NCC(O)COc1ccccc1OCC=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D16 mock treatment -0.003 -0.00307 -0.3 0.0409 0.0426 3.21 2.0578 0.6376 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D17 compound treatment 0.003 0.00293 0.29 0.0319 0.0336 2.53 1.9957 0.7826 1434439 SPBio_002938 Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D18 mock treatment 0.0031 0.00301 0.3 -0.0011 5.8E-4 0.04 0.2407 0.8028 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D19 compound treatment 0.003 0.00293 0.29 0.0029 0.00457 0.35 0.4484 0.996 3069816 SPBio_002939 CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D20 mock treatment 0.003 0.00293 0.29 0.0059 0.00758 0.57 0.6088 0.9498 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D21 compound treatment -0.008 -0.00807 -0.8 -0.0061 -0.00442 -0.33 -0.7991 -0.9254 1672 SPBio_002940 OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D22 mock treatment 0.003 0.00293 0.29 9.0E-4 0.00258 0.19 0.342 0.9816 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D23 mock treatment 0.003 0.00293 0.29 0.0079 0.00958 0.72 0.7157 0.9189 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 D24 mock treatment 0.004 0.00393 0.39 9.0E-4 0.00258 0.19 0.4116 0.9494 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E01 mock treatment 0.006 0.00593 0.58 0.0109 0.0126 0.95 1.0836 0.973 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E02 mock treatment 0.004 0.00393 0.39 0.0029 0.00458 0.35 0.5186 0.9984 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E03 compound treatment 0.006 0.00593 0.58 0.0059 0.00758 0.57 0.818 0.9999 2732 SPBio_002941 Cc1cc(=O)oc2cc(O)ccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E04 compound treatment 0.004 0.00393 0.39 -0.0061 -0.00442 -0.33 0.0381 0.0744 3188027 SPBio_002942 CCN(CC)CCOC(=O)C1(CCCC1)c2ccc(cc2)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E05 compound treatment 0.005 0.00493 0.49 0.0049 0.00658 0.5 0.6949 0.9999 1978 SPBio_002943 OC(=O)/C=C/c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E06 compound treatment -0.006 -0.00607 -0.6 -0.0051 -0.00342 -0.26 -0.606 -0.9293 2098610 SPBio_002944 C1CC1C(NC2=NCCO2)C3CC3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E07 compound treatment -0.003 -0.00307 -0.3 0.0149 0.0166 1.25 0.6707 0.5208 3069737 SPBio_002945 CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E08 compound treatment -0.0149 -0.015 -1.48 0.0339 0.0356 2.69 0.8536 0.2784 3723 SPBio_002946 CN(C)CCCSC(=N)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E09 compound treatment 0.0 -7.33E-5 -0.01 0.0589 0.0606 4.57 3.2278 0.706 2743 SPBio_002947 CC(C)(C(=O)c1cccnc1)c2cccnc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E10 compound treatment 0.0 -7.33E-5 -0.01 0.1753 0.177 13.36 9.4417 0.7067 3069774 SPBio_002948 CO[C@H]1[C@H](O)C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E11 compound treatment -0.001 -0.00107 -0.11 0.2413 0.243 18.34 12.8952 0.703 3202 SPBio_002949 COc1ccccc1N2CCN(CCCNc3cc(=O)n(C)c(=O)n3C)CC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E12 compound treatment -0.008 -0.00807 -0.8 0.2393 0.241 18.19 12.3013 0.6755 3069775 SPBio_002950 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E13 compound treatment 0.001 9.27E-4 0.09 0.2203 0.222 16.76 11.9137 0.711 23081 SPBio_002951 Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E14 compound treatment 0.001 9.27E-4 0.09 0.2163 0.218 16.46 11.7002 0.711 3188028 SPBio_002952 CC1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CCC3=C2)c6ccc(=O)oc6)C(O)[C@@H](O)[C@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E15 compound treatment 0.0 -7.33E-5 -0.01 0.1943 0.196 14.79 10.456 0.7068 1472 SPBio_002953 CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E16 compound treatment -0.002 -0.00207 -0.2 0.1603 0.162 12.23 8.5014 0.6952 2549 SPBio_002954 C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E17 compound treatment -0.009 -0.00907 -0.89 0.0449 0.0466 3.52 1.8538 0.5109 3187900 SPBio_002955 CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(=O)C)C#C)[C@@H]3CCC2=C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E18 compound treatment -0.007 -0.00707 -0.7 -0.0081 -0.00643 -0.49 -0.8364 -0.9842 3069776 SPBio_002956 C[C@]1(C[C@H](O)[C@@]2(O)C=CO[C@H](OC3OC(CO)C(O)C(O)C3O)C12)OC(=O)/C=C\c4ccccc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E19 compound treatment 0.001 9.27E-4 0.09 0.0029 0.00458 0.35 0.3091 0.8643 1440 SPBio_002957 COc1ccc2cc(CCC(=O)C)ccc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E20 compound treatment 0.003 0.00293 0.29 -0.0041 -0.00243 -0.18 0.0747 0.2184 3188029 SPBio_002958 C[C@@H]1CCC2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O[C@@H]6OC(CO[C@@H]7OC(CO)[C@@H](O[C@@H]8OC(C)[C@H](O)[C@H](O)C8O)[C@@H](O)C7O)[C@@H](O)[C@@H](O)C6O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E21 compound treatment 0.003 0.00293 0.29 -0.0011 5.8E-4 0.04 0.2351 0.8051 907434 SPBio_002959 CNCCC(Oc1ccccc1OC)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E22 compound treatment 0.004 0.00393 0.39 -0.0051 -0.00342 -0.26 0.0913 0.1962 3069777 SPBio_002960 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E23 mock treatment 0.003 0.00293 0.29 9.0E-4 0.00258 0.19 0.3419 0.9817 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 E24 mock treatment -0.001 -0.00107 -0.11 -0.0121 -0.0104 -0.79 -0.6322 -0.795 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F01 mock treatment 0.004 0.00393 0.39 0.0039 0.00558 0.42 0.5718 0.9991 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F02 mock treatment 0.0 -7.33E-5 -0.01 0.0079 0.00957 0.72 0.506 0.7 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F03 compound treatment 0.002 0.00193 0.19 0.0019 0.00358 0.27 0.3255 0.9851 3188163 SPBio_002961 CN1C(=O)CC(C1=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F04 mock treatment -0.0109 -0.011 -1.08 -0.0081 -0.00642 -0.48 -1.1095 -0.9341 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F05 compound treatment 0.001 9.27E-4 0.09 -0.0021 -4.2E-4 -0.03 0.0422 0.4363 2957 SPBio_002962 CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F06 mock treatment -0.004 -0.00407 -0.4 0.0039 0.00558 0.42 0.0138 0.0237 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F07 compound treatment -0.004 -0.00407 -0.4 0.0079 0.00958 0.72 0.2273 0.2747 3069817 SPBio_002963 CN(C/C=C/c1ccccc1)Cc2cccc3ccccc23 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F08 mock treatment -0.0099 -0.01 -0.99 0.0359 0.0376 2.84 1.3063 0.4348 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F09 compound treatment 0.002 0.00193 0.19 0.0569 0.0586 4.42 3.2605 0.7368 907413 SPBio_002964 CCCNC(C)(C)COC(=O)c1ccccc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F10 mock treatment -0.003 -0.00307 -0.3 0.0709 0.0726 5.48 3.6592 0.667 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F11 compound treatment 0.0 -7.33E-5 -0.01 0.1803 0.182 13.74 9.7086 0.7067 1666 SPBio_002965 Cc1[nH]c(=O)c(C#N)cc1c2ccncc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F12 mock treatment -0.0069 -0.00703 -0.69 0.2503 0.252 19.02 12.9611 0.6809 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F13 compound treatment 0.0 -7.33E-5 -0.01 0.2233 0.225 16.98 12.0041 0.7068 4382 SPBio_002966 CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F14 mock treatment 0.003 0.00293 0.29 0.2063 0.208 15.7 11.306 0.72 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F15 compound treatment -0.0439 -0.044 -4.34 0.1423 0.144 10.87 4.6166 0.3945 2586 SPBio_002967 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F16 mock treatment -0.004 -0.00407 -0.4 0.1093 0.111 8.38 5.6393 0.6724 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F17 compound treatment -0.005 -0.00507 -0.5 -0.0031 -0.00142 -0.11 -0.4295 -0.8392 3188276 SPBio_002968 CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1.OC(CC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F18 mock treatment 0.006 0.00593 0.58 -0.0091 -0.00744 -0.56 0.0162 0.02 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F19 compound treatment 0.003 0.00293 0.29 -1.0E-4 0.00158 0.12 0.2885 0.9235 1778 SPBio_002969 Nc1ccc(O)c(c1)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F20 mock treatment 0.0 -7.33E-5 -0.01 -0.0021 -4.25E-4 -0.03 -0.0278 -0.8453 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F21 compound treatment -0.001 -0.00107 -0.11 -0.0071 -0.00544 -0.41 -0.3653 -0.8612 3047 SPBio_002970 C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F22 mock treatment -0.005 -0.00507 -0.5 -0.0041 -0.00242 -0.18 -0.4831 -0.9067 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F23 mock treatment -0.002 -0.00207 -0.2 -0.0031 -0.00142 -0.11 -0.2204 -0.9546 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 F24 mock treatment -0.005 -0.00507 -0.5 -0.0011 5.75E-4 0.04 -0.3232 -0.6434 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G01 mock treatment 0.005 0.00493 0.49 0.0069 0.00858 0.65 0.8017 0.99 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G02 mock treatment 0.002 0.00193 0.19 -1.0E-4 0.00158 0.12 0.2187 0.9748 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G03 compound treatment 0.002 0.00193 0.19 0.0049 0.00658 0.5 0.4856 0.9131 3069738 SPBio_002971 CC(C)NCC(O)c1ccc(O)c(O)c1.OC(C(O)C(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G04 compound treatment 0.005 0.00493 0.49 0.0059 0.00758 0.57 0.7483 0.9967 1327636 SPBio_002972 COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)S(=O)(=O)NC(=O)NC4CCCCC4)C(=O)C2(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G05 compound treatment 0.004 0.00393 0.39 0.0079 0.00958 0.72 0.7853 0.9572 1001471 SPBio_002973 Oc1ccc(OCc2ccccc2)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G06 compound treatment 0.0131 0.013 1.28 0.0059 0.00756 0.57 1.3081 0.9339 3069778 SPBio_002974 CN1CCC(=C2c3ccsc3CCc4ccccc24)CC1.OC(CC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G07 compound treatment 0.001 9.27E-4 0.09 0.0039 0.00558 0.42 0.3625 0.841 1025776 SPBio_002975 Nc1ccccc1S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G08 compound treatment -0.003 -0.00307 -0.3 0.0439 0.0456 3.44 2.2178 0.6423 3188030 SPBio_002976 NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@H](O)C2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G09 compound treatment -0.007 -0.00707 -0.7 0.1453 0.147 11.09 7.3516 0.6613 3060043 SPBio_002977 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G10 compound treatment -0.002 -0.00207 -0.2 0.1393 0.141 10.64 7.3814 0.6934 1057366 SPBio_002978 NS(=O)(=O)c1cc2c(NC(CC3CCCC3)NS2(=O)=O)cc1Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G11 compound treatment 0.001 9.27E-4 0.09 0.1973 0.199 15.02 10.6859 0.7114 907370 SPBio_002979 CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G12 compound treatment 0.0 -7.33E-5 -0.01 0.2313 0.233 17.59 12.4322 0.7068 3177109 SPBio_002980 COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G13 compound treatment 0.0071 0.00697 0.69 0.2043 0.206 15.55 11.4808 0.7376 117 SPBio_002981 CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G14 compound treatment 0.009 0.00893 0.88 0.2123 0.214 16.15 12.0446 0.7445 3069779 SPBio_002982 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4cccs4)C3=O)C(=O)O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G15 compound treatment 0.002 0.00193 0.19 0.1833 0.185 13.96 10.008 0.7167 1000135 SPBio_002983 CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G16 compound treatment 0.002 0.00193 0.19 0.1263 0.128 9.66 6.9651 0.7209 1000221 SPBio_002984 CCC(=O)O[C@@]1([C@H](C)C[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@@]21C)C(=O)SCF 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G17 compound treatment 0.002 0.00193 0.19 0.0029 0.00458 0.35 0.3789 0.9603 115 SPBio_002985 COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G18 compound treatment 0.004 0.00393 0.39 0.0029 0.00458 0.35 0.5184 0.9984 3069780 SPBio_002986 OCCN1CCN(CC/C=C\2/c3ccccc3Sc4ccc(Cl)cc24)CC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G19 compound treatment 0.0081 0.00797 0.79 0.0019 0.00357 0.27 0.7465 0.8985 3221506 SPBio_002987 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)N[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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G20 compound treatment 0.001 9.27E-4 0.09 -0.0011 5.79E-4 0.04 0.0955 0.943 4480 SPBio_002988 CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G21 compound treatment -0.003 -0.00307 -0.3 -0.0041 -0.00242 -0.18 -0.3436 -0.9706 1008 SPBio_002989 OC1CCCCC1N2CCC(CC2)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G22 compound treatment -0.0069 -0.00703 -0.69 -0.0101 -0.00844 -0.64 -0.9411 -0.9991 3188032 SPBio_002990 CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCNC(CCCCN)C(=O)O)C(=O)c4c(O)cccc4[C@@]3(C)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G23 mock treatment 0.005 0.00493 0.49 -0.0081 -0.00644 -0.49 -2.0E-4 -2.0E-4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 G24 mock treatment -0.003 -0.00307 -0.3 -0.0081 -0.00643 -0.49 -0.5574 -0.9744 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H01 mock treatment -0.004 -0.00407 -0.4 0.0019 0.00356 0.27 -0.0941 -0.1946 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H02 mock treatment 0.0 -7.33E-5 -0.01 0.0029 0.00458 0.35 0.2394 0.6922 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H03 compound treatment 0.005 0.00493 0.49 0.0049 0.00658 0.5 0.6949 0.9999 3069853 SPBio_002991 OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H04 mock treatment -0.004 -0.00407 -0.4 0.0079 0.00957 0.72 0.227 0.2745 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H05 compound treatment 0.005 0.00493 0.49 0.0059 0.00758 0.57 0.7483 0.9967 1503 SPBio_002992 Cc1c(CS(=O)c2nc3ccccc3[nH]2)nccc1OCC(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H06 mock treatment 0.0061 0.00597 0.59 9.0E-4 0.00258 0.19 0.5539 0.8935 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H07 compound treatment 0.002 0.00193 0.19 0.0069 0.00857 0.65 0.5921 0.8777 834 SPBio_002993 CC(C[N+](C)(C)C)OC(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H08 mock treatment 0.001 9.27E-4 0.09 0.0149 0.0166 1.25 0.9487 0.7568 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H09 compound treatment -0.005 -0.00507 -0.5 0.1513 0.153 11.55 7.8117 0.6758 3188277 SPBio_002994 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C5CC5[C@]4(C)[C@H]3CC[C@@]21C)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H10 mock treatment -0.0059 -0.00603 -0.6 0.1763 0.178 13.44 9.0793 0.6751 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H11 compound treatment -0.003 -0.00307 -0.3 0.1893 0.191 14.42 9.9798 0.6921 1000206 SPBio_002995 CC(C)NC[C@@H](O)COc1cccc2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H12 mock treatment 0.0 -7.33E-5 -0.01 0.2053 0.207 15.62 11.0432 0.7068 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H13 compound treatment 0.0 -7.33E-5 -0.01 0.1783 0.18 13.59 9.6018 0.7067 3903 SPBio_002996 CC(C)(Oc1ccc(cc1)C2CC2(Cl)Cl)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H14 mock treatment -0.005 -0.00507 -0.5 0.0879 0.0896 6.76 4.4272 0.653 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H15 compound treatment 0.004 0.00393 0.39 0.1313 0.133 10.04 7.3718 0.7338 1029881 SPBio_002997 CN1C2CCC1CC(O)C2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H16 mock treatment -0.005 -0.00507 -0.5 0.0659 0.0676 5.1 3.2527 0.6347 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H17 compound treatment -0.003 -0.00307 -0.3 0.0019 0.00358 0.27 -0.0233 -0.0572 954 SPBio_002998 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H18 mock treatment 0.011 0.0109 1.08 -0.0051 -0.00344 -0.26 0.5785 0.5218 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H19 compound treatment 0.0041 0.00397 0.39 -0.0041 -0.00242 -0.18 0.1475 0.3415 1295 SPBio_002999 OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H20 mock treatment 0.003 0.00293 0.29 9.0E-4 0.00258 0.19 0.342 0.9816 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H21 compound treatment -0.003 -0.00307 -0.3 -0.0041 -0.0024 -0.18 -0.3425 -0.9697 3188278 SPBio_003000 COC(=O)Nc1nc2cc(SC(C)C)ccc2[nH]1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H22 mock treatment 0.008 0.00793 0.78 9.0E-4 0.00258 0.19 0.6907 0.857 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H23 mock treatment 0.007 0.00693 0.68 -0.0061 -0.00442 -0.33 0.2472 0.3251 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 H24 mock treatment -0.004 -0.00407 -0.4 -0.0011 5.8E-4 0.04 -0.2532 -0.6263 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I01 mock treatment -0.002 -0.00207 -0.2 0.0019 0.00358 0.27 0.0465 0.1372 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I02 mock treatment 0.006 0.00593 0.58 -0.0021 -4.16E-4 -0.03 0.3912 0.6682 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I03 compound treatment 0.002 0.00193 0.19 0.0029 0.00458 0.35 0.3789 0.9603 3188016 SPBio_003001 CN/C(=C\[N+](=O)[O-])/NCCSCc1csc(CN(C)C)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I04 compound treatment -0.001 -0.00107 -0.11 -0.0031 -0.00142 -0.11 -0.1507 -1.0 3069781 SPBio_003002 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I05 compound treatment -0.001 -0.00107 -0.11 0.0039 0.00558 0.42 0.223 0.5134 3188017 SPBio_003003 S=C(NC1CCCCC1)N2CCC(CC2)C3C=NC=N3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I06 compound treatment 0.004 0.00393 0.39 0.0039 0.00557 0.42 0.5715 0.9991 3177333 SPBio_003004 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I07 compound treatment 0.004 0.00393 0.39 -1.0E-4 0.00158 0.12 0.3582 0.8838 3061617 SPBio_003005 OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I08 compound treatment 0.003 0.00293 0.29 9.0E-4 0.00258 0.19 0.3419 0.9817 1053328 SPBio_003006 CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I09 compound treatment 0.002 0.00193 0.19 0.1213 0.123 9.28 6.6984 0.7214 1000092 SPBio_003007 COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I10 compound treatment -0.002 -0.00207 -0.2 0.1893 0.191 14.42 10.0495 0.697 3188033 SPBio_003008 CCC1(CCCCN(C)C1)c2cccc(O)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I11 compound treatment 0.002 0.00193 0.19 0.1943 0.196 14.79 10.5955 0.7161 1007994 SPBio_003009 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I12 compound treatment 0.001 9.29E-4 0.09 0.1653 0.167 12.6 8.9775 0.7122 3188034 SPBio_003010 CNC1C(O)C2O[C@H](OC3C(N)C[C@@H](N)C(O)[C@H]3O)C(N)C[C@@H]2O[C@@H]1O[C@H]4OC(CO)[C@@H](N)[C@H](O)C4O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I13 compound treatment -0.002 -0.00207 -0.2 0.1633 0.165 12.45 8.6616 0.6954 3060036 SPBio_003011 C1CN=C(N1)C2COc3ccccc3O2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I14 compound treatment -0.0069 -0.00703 -0.69 0.0449 0.0466 3.52 1.995 0.5568 3069782 SPBio_003012 C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC5SC5C[C@@]43C)[C@@H]2CC[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I15 compound treatment 0.007 0.00693 0.68 0.1143 0.116 8.75 6.6735 0.76 3188018 SPBio_003013 CCN(CC)C(=O)N[C@@H]1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I16 compound treatment 0.003 0.00293 0.29 9.0E-4 0.00258 0.19 0.3419 0.9817 3188035 SPBio_003014 C/C(=C(/CCO)\SSCC1CCCO1)/N(Cc2cnc(C)nc2N)C=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I17 compound treatment 0.005 0.00493 0.49 -0.0061 -0.00442 -0.33 0.1077 0.1826 1765 SPBio_003015 CC1(C)NC(=O)N(C1=O)c2ccc([N+](=O)[O-])c(c2)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I18 compound treatment 0.0121 0.012 1.18 0.0059 0.00758 0.57 1.2395 0.9447 2080 SPBio_003016 CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I19 compound treatment 0.004 0.00393 0.39 -1.0E-4 0.00158 0.12 0.3582 0.8839 3172846 SPBio_003017 NC(CO)(CO)CO.OC(=O)C1CCn2c(ccc12)C(=O)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I20 compound treatment 0.004 0.00393 0.39 -0.0071 -0.00542 -0.41 -0.0153 -0.0272 3188145 SPBio_003018 CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I21 compound treatment 0.006 0.00593 0.58 -0.0041 -0.00242 -0.18 0.2842 0.464 4487 SPBio_003019 CNCCCC1c2ccccc2C=Cc3ccccc13 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I22 compound treatment 0.003 0.00293 0.29 -0.0101 -0.00842 -0.64 -0.2454 -0.3514 3188146 SPBio_003020 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC4OC(=O)c5ccccc45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I23 mock treatment 0.008 0.00793 0.78 -0.0051 -0.00342 -0.26 0.3704 0.4498 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 I24 mock treatment 0.005 0.00493 0.49 -1.0E-4 0.00158 0.12 0.428 0.8553 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J01 mock treatment -0.003 -0.00307 -0.3 -0.0091 -0.00742 -0.56 -0.6103 -0.9585 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J02 mock treatment 0.001 9.27E-4 0.09 -0.0011 5.79E-4 0.04 0.0955 0.943 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J03 compound treatment 0.0021 0.00197 0.19 -0.0011 5.8E-4 0.04 0.1681 0.8454 3002368 SPBio_003021 CC(C)NC[C@H](O)COc1cccc2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J04 mock treatment -0.001 -0.00107 -0.11 0.0019 0.00357 0.27 0.116 0.4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J05 compound treatment 0.003 0.00293 0.29 -0.0071 -0.00544 -0.41 -0.0863 -0.1719 907302 SPBio_003022 CN1CC[C@]2(C)C1N(C)c3ccc(O)cc32 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J06 mock treatment 0.0131 0.013 1.28 0.0209 0.0226 1.7 2.1087 0.99 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J07 compound treatment -0.008 -0.00807 -0.8 -0.0091 -0.00742 -0.56 -0.9592 -0.9852 3188279 SPBio_003023 CCN1C[C@]2(COC)CC[C@H](O)C3(C4C[C@H]5[C@H](OC(=O)C)C4[C@](O)(CC5OC)[C@H]6CC32)[C@@H]61 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J08 mock treatment -0.0029 -0.00299 -0.3 9.0E-4 0.00258 0.19 -0.0711 -0.2009 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J09 compound treatment -0.0099 -0.01 -0.99 0.0329 0.0346 2.61 1.1453 0.4104 2060476 SPBio_003024 C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J10 mock treatment -0.001 -0.00107 -0.11 0.1823 0.184 13.89 9.7456 0.7017 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J11 compound treatment 0.002 0.00193 0.19 0.2033 0.205 15.47 11.0759 0.7157 1336284 SPBio_003025 COc1c2CC(Oc2nc3ccccc13)C(C)(O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J12 mock treatment -0.0129 -0.013 -1.29 0.1623 0.164 12.38 7.8448 0.6303 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J13 compound treatment 0.003 0.00293 0.29 0.1713 0.173 13.06 9.4374 0.7226 3176921 SPBio_003026 N[C@H]1CONC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J14 mock treatment 0.003 0.00293 0.29 0.0629 0.0646 4.87 3.6506 0.7477 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J15 compound treatment -0.005 -0.00507 -0.5 0.0719 0.0736 5.55 3.573 0.6408 3069855 SPBio_003027 Clc1cnccn1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J16 mock treatment -0.0099 -0.01 -0.99 -0.0201 -0.0184 -1.39 -1.6841 -0.986 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J17 compound treatment 0.001 9.27E-4 0.09 0.0039 0.00556 0.42 0.3614 0.8414 1076620 SPBio_003028 CNCC(O)c1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J18 mock treatment 0.004 0.00393 0.39 0.0039 0.00557 0.42 0.5715 0.9991 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J19 compound treatment -0.001 -0.00107 -0.11 -0.0031 -0.00142 -0.11 -0.1505 -1.0 760 SPBio_003029 N[C@@H]1CONC1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J20 mock treatment 0.001 9.29E-4 0.09 -0.0041 -0.00242 -0.18 -0.0644 -0.3152 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J21 compound treatment 0.007 0.00693 0.68 0.0029 0.00458 0.35 0.7278 0.9503 1076027 SPBio_003030 CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J22 mock treatment 0.002 0.00193 0.19 -0.0051 -0.00342 -0.26 -0.0482 -0.1503 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J23 mock treatment 0.008 0.00793 0.78 -0.0061 -0.00442 -0.33 0.3169 0.3728 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 J24 mock treatment -0.006 -0.00607 -0.6 -0.0081 -0.00644 -0.49 -0.7673 -0.9947 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K01 mock treatment 0.002 0.00193 0.19 -0.0051 -0.00342 -0.26 -0.0482 -0.1503 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K02 mock treatment -0.006 -0.00607 -0.6 -0.0011 5.8E-4 0.04 -0.3926 -0.6537 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K03 compound treatment 0.001 9.27E-4 0.09 -0.0011 5.79E-4 0.04 0.0955 0.943 1677 SPBio_003031 CC(C)c1cccc(C(C)C)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K04 compound treatment 0.0 -7.33E-5 -0.01 -0.0051 -0.00342 -0.26 -0.1877 -0.7266 3188147 SPBio_003032 Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)C(N3C2=O)C(=O)O)c4c(F)cccc4Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K05 compound treatment -0.004 -0.00407 -0.4 9.0E-4 0.00258 0.19 -0.1464 -0.3278 3188019 SPBio_003033 CCN1CCCC1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K06 compound treatment 0.0041 0.00397 0.39 -0.0011 5.8E-4 0.04 0.3076 0.7814 2920 SPBio_003034 CCN(CC)c1cc(C)nc2ncnn12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K07 compound treatment 0.0081 0.00797 0.79 -0.0011 5.79E-4 0.04 0.5866 0.7453 962 SPBio_003035 CCC1(C(=O)NCNC1=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K08 compound treatment -0.014 -0.0141 -1.39 -0.0181 -0.0164 -1.24 -1.8582 -0.9984 3188148 SPBio_003036 CN1C2CCC1CC(C2)OC3c4ccccc4CCc5ccccc35 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K09 compound treatment 0.003 0.00293 0.29 0.0149 0.0166 1.25 1.0882 0.8481 1910 SPBio_003037 Nc1nc(=O)[nH]cc1F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K10 compound treatment 0.004 0.00393 0.39 0.1513 0.153 11.55 8.4395 0.7304 3069806 SPBio_003038 OCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K11 compound treatment 0.004 0.00393 0.39 0.1483 0.15 11.32 8.2793 0.7309 3069740 SPBio_003039 C[C@]1(N[C@H]2Cc3ccccc31)c4ccccc24 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K12 compound treatment -0.004 -0.00407 -0.4 0.1463 0.148 11.17 7.6145 0.6812 1022844 SPBio_003040 Oc1ccc(O)c(c1)S(=O)(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K13 compound treatment 0.006 0.00593 0.58 0.1893 0.191 14.42 10.6077 0.7352 3188020 SPBio_003041 C[N+](C)(CCCOc1ccccc1)c2ccccc2.OC(=O)c1cc2ccccc2cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K14 compound treatment -0.003 -0.00307 -0.3 0.1623 0.164 12.38 8.5384 0.6896 1779 SPBio_003042 COc1nc(C)nc(Cl)c1NC2=NCCN2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K15 compound treatment 0.0 -7.33E-5 -0.01 0.1323 0.134 10.11 7.1462 0.7066 3069741 SPBio_003043 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K16 compound treatment 0.003 0.00293 0.29 -0.0151 -0.0134 -1.02 -0.5136 -0.4867 1326779 SPBio_003044 CCNCC(O)c1cccc(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K17 compound treatment 0.005 0.00493 0.49 0.0019 0.00356 0.27 0.5337 0.961 1095 SPBio_003045 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K18 compound treatment -0.006 -0.00607 -0.6 -0.0121 -0.0104 -0.79 -0.9809 -0.9908 220 SPBio_003046 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K19 compound treatment 0.006 0.00593 0.58 -0.0011 5.84E-4 0.04 0.4446 0.7583 2685 SPBio_003047 OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K20 compound treatment 0.002 0.00193 0.19 -0.1204 -0.119 -8.96 -6.2019 -0.6919 3188149 SPBio_003048 CCO[C@@H]1O[C@H](C(COCc2ccccc2)OCc3ccccc3)[C@@H](OCc4ccccc4)C1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K21 compound treatment 0.004 0.00393 0.39 -0.0131 -0.0114 -0.86 -0.3368 -0.3558 1020463 SPBio_003049 Oc1cc2ccc(=O)oc2cc1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K22 compound treatment 0.0 -7.33E-5 -0.01 -0.0101 -0.00844 -0.64 -0.4557 -0.7151 3188150 SPBio_003050 CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K23 mock treatment -0.003 -0.00307 -0.3 -0.0071 -0.00542 -0.41 -0.5037 -0.9891 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 K24 mock treatment -0.012 -0.0121 -1.19 -0.0191 -0.0174 -1.32 -1.7731 -0.9987 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L01 mock treatment -0.0099 -0.01 -0.99 -0.0041 -0.00242 -0.18 -0.829 -0.8237 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L02 mock treatment -0.002 -0.00207 -0.2 -0.0051 -0.00343 -0.26 -0.3275 -0.9933 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L03 compound treatment -0.003 -0.00307 -0.3 -0.0021 -4.16E-4 -0.03 -0.2366 -0.7762 1269 SPBio_003051 CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L04 mock treatment 0.004 0.00393 0.39 -0.0031 -0.00143 -0.11 0.1978 0.4921 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L05 compound treatment 0.002 0.00193 0.19 -0.0041 -0.00242 -0.18 0.0052 0.0197 3069858 SPBio_003052 Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L06 mock treatment -0.007 -0.00707 -0.7 -0.0111 -0.00945 -0.71 -0.9974 -0.9999 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L07 compound treatment 0.0071 0.00697 0.69 -0.0031 -0.00142 -0.11 0.4101 0.5897 907479 SPBio_003053 CCCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L08 mock treatment -0.001 -0.00107 -0.11 -0.0091 -0.00742 -0.56 -0.4708 -0.8262 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L09 compound treatment -0.007 -0.00707 -0.7 -0.0131 -0.0114 -0.86 -1.103 -0.9945 3188280 SPBio_003054 COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L10 mock treatment -0.001 -0.00107 -0.11 0.0829 0.0846 6.38 4.4393 0.6953 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L11 compound treatment -0.003 -0.00307 -0.3 0.1193 0.121 9.13 6.2429 0.6833 1221 SPBio_003055 CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L12 mock treatment -0.004 -0.00407 -0.4 0.1333 0.135 10.19 6.9206 0.6787 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L13 compound treatment 0.005 0.00493 0.49 0.1603 0.162 12.23 8.9898 0.7346 3188281 SPBio_003056 C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2C[C@@H](O)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L14 mock treatment 0.003 0.00293 0.29 0.1823 0.184 13.89 10.0246 0.7216 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L15 compound treatment 0.006 0.00593 0.58 0.0569 0.0586 4.42 3.5395 0.7937 1479 SPBio_003057 CC(C)NCC(O)c1ccc(O)c(O)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L16 mock treatment 0.0 -7.13E-5 -0.01 -0.0051 -0.00342 -0.26 -0.1875 -0.7261 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L17 compound treatment 0.0061 0.00597 0.59 -1.0E-4 0.00158 0.12 0.5005 0.8335 2121 SPBio_003058 Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L18 mock treatment -0.002 -0.00207 -0.2 -0.0041 -0.00242 -0.18 -0.2738 -0.9984 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L19 compound treatment -0.007 -0.00707 -0.7 -0.0051 -0.00342 -0.26 -0.6756 -0.9084 865102 SPBio_003059 O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L20 mock treatment 0.0031 0.00301 0.3 -0.0081 -0.0064 -0.48 -0.1319 -0.2327 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L21 compound treatment -0.003 -0.00307 -0.3 -0.0041 -0.00242 -0.18 -0.3436 -0.9706 3188282 SPBio_003060 CC1C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)c2ccccc2C1=O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L22 mock treatment -0.0259 -0.026 -2.56 -0.0191 -0.0174 -1.32 -2.743 -0.9519 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L23 mock treatment -0.001 -0.00107 -0.11 -0.0101 -0.00844 -0.64 -0.5253 -0.8133 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 L24 mock treatment -0.004 -0.00407 -0.4 -0.0091 -0.00744 -0.56 -0.6811 -0.9865 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M01 mock treatment 0.006 0.00593 0.58 0.0039 0.00558 0.42 0.7114 0.987 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M02 mock treatment 0.002 0.00193 0.19 -0.0061 -0.00442 -0.33 -0.1016 -0.2645 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M03 compound treatment 0.001 9.27E-4 0.09 0.0049 0.00658 0.5 0.4159 0.8234 2030 SPBio_003061 OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M04 compound treatment 0.007 0.00693 0.68 -0.0121 -0.0104 -0.79 -0.0731 -0.0702 3480040 SPBio_003062 COC(=O)C1=C(C)NC(=C(C1c2cccc3nonc23)C(=O)OC(C)C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M05 compound treatment 0.006 0.00593 0.58 -0.0051 -0.00342 -0.26 0.2308 0.3611 907192 SPBio_003063 CC[N+](C)(C)Cc1ccccc1Br 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M06 compound treatment 0.002 0.00193 0.19 -0.0051 -0.00342 -0.26 -0.0481 -0.1498 1077199 SPBio_003064 CCNC1(CCCCC1=O)c2cccs2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M07 compound treatment 0.0071 0.00697 0.69 -0.0041 -0.00242 -0.18 0.3567 0.5017 3172714 SPBio_003065 C[n+]1ccccc1/C=N/O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M08 compound treatment 0.002 0.00193 0.19 -0.0091 -0.00742 -0.56 -0.2615 -0.4423 3069807 SPBio_003066 CNC(C)CCC=C(C)C.OC(C(O)C(O)C(=O)O)C(O)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M09 compound treatment 0.006 0.00593 0.58 9.0E-4 0.00258 0.19 0.5511 0.8944 1395 SPBio_003067 CC(COc1ccccc1)N(CCCl)Cc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M10 compound treatment -0.0039 -0.00403 -0.4 -0.0121 -0.0104 -0.79 -0.8386 -0.9499 3188151 SPBio_003068 CC1CS(=O)(=O)CCN1/N=C/c2ccc(o2)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M11 compound treatment 0.01 0.00993 0.98 0.0049 0.00658 0.5 1.0436 0.9505 2844 SPBio_003069 CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M12 compound treatment -0.004 -0.00407 -0.4 0.0429 0.0446 3.36 2.0947 0.6183 1698 SPBio_003070 N#Cc1ccc(cc1)C(c2ccc(C#N)cc2)n3cncn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M13 compound treatment 0.0351 0.035 3.45 0.0409 0.0426 3.21 4.7109 0.9994 1371 SPBio_003071 CN(C)c1nc(nc(n1)N(C)C)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M14 compound treatment 0.003 0.00293 0.29 0.0109 0.0126 0.95 0.8757 0.8822 4425 SPBio_003072 CC(C)NCC1CCc2cc(CO)c(cc2N1)[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M15 compound treatment 0.005 0.00493 0.49 -0.0081 -0.00644 -0.49 -2.0E-4 -2.0E-4 349 SPBio_003073 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccco4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M16 compound treatment -0.004 -0.00407 -0.4 -0.0121 -0.0104 -0.79 -0.8414 -0.9511 3188152 SPBio_003074 CC(N)C(=O)Nc1c(C)cccc1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M17 compound treatment 0.0081 0.00797 0.79 -0.0051 -0.00342 -0.26 0.3731 0.4511 1428570 SPBio_003075 CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M18 compound treatment 0.006 0.00593 0.58 -0.0171 -0.0154 -1.16 -0.4086 -0.314 3188153 SPBio_003076 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O.C(CNCc1ccccc1)NCc2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M19 compound treatment -0.0239 -0.024 -2.37 -0.0111 -0.00944 -0.71 -2.1802 -0.8807 893 SPBio_003077 NCC(O)c1ccc(O)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M20 compound treatment -0.0249 -0.025 -2.47 -0.0401 -0.0384 -2.9 -3.7981 -0.9968 1795 SPBio_003078 Cc1nc2CCCCn2c(=O)c1CCN3CCC(CC3)c4noc5cc(F)ccc45 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M21 compound treatment 0.0131 0.013 1.28 0.0329 0.0346 2.61 2.7494 0.9462 806 SPBio_003079 OC(=O)C1CCCNC1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M22 compound treatment -0.01 -0.0101 -0.99 -0.0241 -0.0224 -1.69 -1.9005 -0.9677 1001638 SPBio_003080 CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M23 mock treatment 0.002 0.00193 0.19 -0.0131 -0.0114 -0.86 -0.4765 -0.5385 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 M24 mock treatment -0.001 -0.00107 -0.11 -0.0171 -0.0154 -1.17 -0.899 -0.7681 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N01 mock treatment 0.003 0.00293 0.29 -1.0E-4 0.00158 0.12 0.2884 0.9235 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N02 mock treatment 0.001 9.27E-4 0.09 -0.0051 -0.00343 -0.26 -0.1182 -0.431 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N03 compound treatment -0.001 -0.00107 -0.11 -0.0041 -0.00242 -0.18 -0.2041 -0.9663 3487604 SPBio_003081 CCNC1CC(N)C(OC2OC(=CCC2N)CN)C(O)C1OC3OCC(C)(O)C(NC)C3O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N04 mock treatment 0.009 0.00893 0.88 -0.0031 -0.00142 -0.11 0.5468 0.6165 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N05 compound treatment 0.005 0.00493 0.49 -0.0041 -0.00242 -0.18 0.2144 0.413 3173761 SPBio_003082 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N06 mock treatment 0.0091 0.00897 0.88 0.0029 0.00458 0.35 0.8701 0.9161 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N07 compound treatment 0.0041 0.00397 0.39 -0.0021 -4.2E-4 -0.03 0.2542 0.6477 1111897 SPBio_003083 COc1ccc2nccc(C(=O)O)c2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N08 mock treatment 0.0151 0.015 1.48 -0.0011 5.8E-4 0.04 1.0777 0.7277 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N09 compound treatment 0.003 0.00293 0.29 -0.0071 -0.00543 -0.41 -0.0855 -0.1706 3188283 SPBio_003084 CC1O[C@@H](OC/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]4\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C2)C(O)C(N)[C@@H]1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N10 mock treatment 0.003 0.00293 0.29 -0.0101 -0.00844 -0.64 -0.2464 -0.3523 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N11 compound treatment 0.007 0.00693 0.68 -0.0061 -0.00444 -0.34 0.2461 0.3234 3188284 SPBio_003085 COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)[C@]6(C)C(C(=O)OC)C(=CC=C46)C(=O)OC)c(C)c3C=C.COC(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(=O)O)c5C)c(C=C)c4C)C6=CC=C(C(C(=O)OC)[C@]63C)C(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N12 mock treatment 0.01 0.00993 0.98 -0.0031 -0.00142 -0.11 0.6166 0.6259 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N13 compound treatment -0.0269 -0.027 -2.67 -0.0371 -0.0354 -2.68 -3.7773 -1.0 1000348 SPBio_003086 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]3CN[C@@H](C3)C(=O)N(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N14 mock treatment 0.003 0.00293 0.29 -0.0061 -0.00442 -0.33 -0.0318 -0.0721 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N15 compound treatment 0.002 0.00193 0.19 -0.0131 -0.0114 -0.86 -0.4763 -0.5386 3069861 SPBio_003087 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2C(C[C@@H]3CCC[C@@H]32)C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N16 mock treatment 0.0 -7.13E-5 -0.01 9.0E-4 0.00258 0.19 0.1328 0.6811 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N17 compound treatment 0.001 9.27E-4 0.09 -0.0051 -0.0034 -0.26 -0.1169 -0.4289 1517 SPBio_003088 CCC1(NC(=O)N(C)C1=O)c2ccccc2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N18 mock treatment 0.003 0.00293 0.29 -0.0091 -0.00743 -0.56 -0.1921 -0.3046 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N19 compound treatment 0.005 0.00493 0.49 -0.0091 -0.00743 -0.56 -0.0526 -0.0709 3188285 SPBio_003089 CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c4C5=NC6(CCN(CC(C)C)CC6)NC5=C(NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)C(=O)c4c(O)c3C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N20 mock treatment -0.0089 -0.00899 -0.89 -0.0151 -0.0134 -1.01 -1.3437 -0.9978 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N21 compound treatment 0.0 -7.33E-5 -0.01 -0.0071 -0.00543 -0.41 -0.2947 -0.7195 3069862 SPBio_003090 CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N22 mock treatment -0.0189 -0.019 -1.87 -0.0261 -0.0244 -1.84 -2.6284 -1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N23 mock treatment 0.0 -7.33E-5 -0.01 -0.0091 -0.00744 -0.56 -0.4023 -0.7162 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 N24 mock treatment 0.0 -7.13E-5 -0.01 -0.0111 -0.00945 -0.71 -0.5092 -0.714 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O01 mock treatment -0.002 -0.00207 -0.2 -0.0011 5.8E-4 0.04 -0.1137 -0.5434 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O02 mock treatment 0.001 9.27E-4 0.09 -1.0E-4 0.00158 0.12 0.1489 0.9914 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O03 compound treatment -0.002 -0.00207 -0.2 -0.0041 -0.00243 -0.18 -0.2741 -0.9985 2660 SPBio_003091 CCN(C(=O)/C=C/C)c1ccccc1C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O04 compound treatment 0.005 0.00493 0.49 -0.0071 -0.00542 -0.41 0.0543 0.0855 2080909 SPBio_003092 CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O05 compound treatment 0.005 0.00493 0.49 0.0039 0.00557 0.42 0.6412 0.9974 351 SPBio_003093 CC(C)NCC(O)COc1cccc2ccccc12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O06 compound treatment 0.003 0.00293 0.29 -0.0031 -0.00143 -0.11 0.1282 0.4159 3069809 SPBio_003094 CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O07 compound treatment 0.001 9.29E-4 0.09 0.0029 0.00458 0.35 0.3093 0.8646 1001857 SPBio_003095 CC(C)NC[C@@H](O)COc1ccc(CC(=O)N)cc1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O08 compound treatment -0.0109 -0.011 -1.09 -0.0071 -0.00542 -0.41 -1.0589 -0.9107 3188154 SPBio_003096 CC(=O)CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O09 compound treatment -0.001 -0.00107 -0.11 -0.0011 5.8E-4 0.04 -0.0439 -0.3832 3188022 SPBio_003097 CC(C)(C)CC(C)(C)c1ccc(OCOCCOCCO)c(Cc2cc(cc(Cc3cc(ccc3OCOCCOCCO)C(C)(C)CC(C)(C)C)c2OCOCCOCCO)C(C)(C)CC(C)(C)C)c1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O10 compound treatment -0.003 -0.00307 -0.3 -0.0051 -0.00342 -0.26 -0.3969 -0.9968 3177327 SPBio_003098 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O11 compound treatment 0.002 0.00193 0.19 0.0039 0.00557 0.42 0.432 0.9355 3069742 SPBio_003099 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O12 compound treatment -0.006 -0.00607 -0.6 -0.0151 -0.0134 -1.01 -1.1399 -0.9685 1511611 SPBio_003100 CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O13 compound treatment 0.004 0.00393 0.39 -1.0E-4 0.00158 0.12 0.3584 0.8838 4369 SPBio_003101 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O14 compound treatment -0.0289 -0.029 -2.86 -0.0341 -0.0324 -2.45 -3.7569 -0.997 3188155 SPBio_003102 OC/C=C\1/[C@@H]2C[C@@H]3[C@@H](CC[C@]34C5N(C=C6C7N(C=C52)c8ccccc8[C@]97CC[C@@H]%10[C@H]9C[C@H]6\C(=C\CO)\N%10CC=C)c%11ccccc%114)N1CC=C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O15 compound treatment 0.005 0.00493 0.49 -0.0031 -0.00142 -0.11 0.2678 0.5382 3069771 SPBio_003103 C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1C(=O)CO 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O16 compound treatment 0.001 9.27E-4 0.09 -0.0061 -0.00442 -0.33 -0.1713 -0.4952 2747 SPBio_003104 Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O17 compound treatment 0.005 0.00493 0.49 0.0039 0.00558 0.42 0.6415 0.9975 1000212 SPBio_003105 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 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O18 compound treatment -0.0099 -0.01 -0.99 -0.0171 -0.0154 -1.17 -1.5241 -0.9967 3069810 SPBio_003106 COc1ccc(C[C@](C)(N)C(=O)O)cc1OC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O19 compound treatment -0.002 -0.00207 -0.2 -0.0061 -0.00443 -0.33 -0.3807 -0.9722 4481 SPBio_003107 CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O20 compound treatment -0.001 -0.00107 -0.11 -0.0051 -0.00343 -0.26 -0.2577 -0.9223 3069811 SPBio_003108 C[C@@H]1CN(CC[C@]1(C(=O)O)c2ccccc2)[C@H]3CC[C@](CC3)(C#N)c4ccc(F)cc4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O21 compound treatment 0.001 9.27E-4 0.09 -0.0051 -0.00342 -0.26 -0.1179 -0.4306 1167 SPBio_003109 NCCCCCC(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O22 compound treatment 0.0 -7.33E-5 -0.01 -0.0041 -0.00242 -0.18 -0.1343 -0.7345 3188156 SPBio_003110 CN(C)c1ccc2[n+](C)c(/C=C\c3cc(C)n(c3C)c4ccccc4)ccc2c1.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O23 mock treatment 0.004 0.00393 0.39 -0.0101 -0.00845 -0.64 -0.1769 -0.2372 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 O24 mock treatment 0.003 0.00293 0.29 -0.0071 -0.00543 -0.41 -0.0855 -0.1706 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P01 mock treatment -0.004 -0.00407 -0.4 -0.0021 -4.25E-4 -0.03 -0.3068 -0.7612 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P02 mock treatment 0.01 0.00993 0.98 0.0059 0.00757 0.57 1.0969 0.9672 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P03 compound treatment -0.0039 -0.00399 -0.39 -1.0E-4 0.00158 0.12 -0.1942 -0.4718 3856 SPBio_003111 CNC1(C)C2CCC(C2)C1(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P04 mock treatment 0.003 0.00293 0.29 -0.0021 -4.2E-4 -0.03 0.1817 0.6257 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P05 compound treatment -0.001 -0.00107 -0.11 0.0039 0.00557 0.42 0.2227 0.5132 3199 SPBio_003112 CNNCc1ccc(cc1)C(=O)NC(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P06 mock treatment -0.0029 -0.00299 -0.3 -0.0091 -0.00742 -0.56 -0.6049 -0.9552 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P07 compound treatment 0.004 0.00393 0.39 0.0069 0.00858 0.65 0.7319 0.9698 3188286 SPBio_003113 NCCCC(N)CC(=O)NC1CNC(=O)C(NC(=O)/C(=C/NC(=O)N)/NC(=O)C(CO)NC(=O)C(CO)NC1=O)C2CC(O)N=C(N)N2 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P08 mock treatment -0.0119 -0.012 -1.19 -0.0071 -0.00543 -0.41 -1.1289 -0.8991 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P09 compound treatment 0.008 0.00793 0.78 -1.0E-4 0.00158 0.12 0.6372 0.8057 3069863 SPBio_003114 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P10 mock treatment -0.003 -0.00307 -0.3 -0.0041 -0.00242 -0.18 -0.3436 -0.9706 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P11 compound treatment 0.005 0.00493 0.49 -0.0031 -0.00142 -0.11 0.2678 0.5382 1509 SPBio_003115 Cn1c(COC(=O)N)ncc1[N+](=O)[O-] 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P12 mock treatment 0.003 0.00293 0.29 -1.0E-4 0.00158 0.12 0.2886 0.9235 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P13 compound treatment 0.0071 0.00697 0.69 0.0019 0.00356 0.27 0.676 0.9161 1829 SPBio_003116 CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(=O)(=O)N 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P14 mock treatment 0.005 0.00493 0.49 0.0039 0.00557 0.42 0.6412 0.9974 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P15 compound treatment -0.0019 -0.00199 -0.2 -0.0071 -0.00542 -0.41 -0.4284 -0.9436 1078453 SPBio_003117 Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P16 mock treatment 0.003 0.00293 0.29 -0.0031 -0.00142 -0.11 0.1283 0.4167 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P17 compound treatment 0.001 9.27E-4 0.09 -0.0011 5.8E-4 0.04 0.0956 0.9432 3188288 SPBio_003118 CO/N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[N+]3(C)CCCC3)\c4csc(N)n4 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P18 mock treatment -0.005 -0.00507 -0.5 0.0019 0.00357 0.27 -0.163 -0.2867 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P19 compound treatment -0.0206 -0.0207 -2.04 -0.0274 -0.0257 -1.94 -2.8164 -0.9997 3188289 SPBio_003119 C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P20 mock treatment 0.001 9.29E-4 0.09 -0.0031 -0.00142 -0.11 -0.011 -0.0782 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P21 compound treatment -0.005 -0.00507 -0.5 -0.0061 -0.00442 -0.33 -0.5898 -0.9806 2884 SPBio_003120 CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P22 mock treatment -0.0069 -0.00703 -0.69 -0.0021 -4.25E-4 -0.03 -0.5133 -0.739 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P23 mock treatment 0.003 0.00293 0.29 -0.0061 -0.00443 -0.33 -0.0321 -0.0727 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.2167 P24 mock treatment 0.001 9.29E-4 0.09 -0.0111 -0.00944 -0.71 -0.4392 -0.6112 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A01 mock treatment -0.0032 -0.00302 -0.3 -0.0039 -0.00365 -0.28 -0.4053 -0.9992 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A02 mock treatment -0.0032 -0.00302 -0.3 -0.0049 -0.00465 -0.35 -0.4587 -0.9967 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A03 mock treatment -0.0052 -0.00502 -0.5 -0.0019 -0.00165 -0.12 -0.4381 -0.8581 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A04 mock treatment -0.0022 -0.00202 -0.2 -0.0019 -0.00165 -0.12 -0.2288 -0.9744 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A05 mock treatment -0.0012 -0.00102 -0.1 1.0E-4 3.52E-4 0.03 -0.0524 -0.5031 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A06 mock treatment -0.0082 -0.00802 -0.79 -0.0029 -0.00265 -0.2 -0.7006 -0.8588 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A07 mock treatment -0.0022 -0.00202 -0.2 -9.0E-4 -6.51E-4 -0.05 -0.1756 -0.8558 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A08 mock treatment -0.0112 -0.011 -1.09 -0.0079 -0.00767 -0.58 -1.18 -0.9562 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A09 mock treatment -0.0062 -0.00602 -0.59 -0.0059 -0.00565 -0.43 -0.7216 -0.9868 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A10 mock treatment -0.0102 -0.01 -0.99 -0.0049 -0.00465 -0.35 -0.947 -0.9029 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A11 mock treatment -0.0162 -0.016 -1.58 -0.0049 -0.00465 -0.35 -1.3675 -0.8434 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A12 mock treatment -0.0182 -0.018 -1.78 -0.0109 -0.0106 -0.8 -1.826 -0.9356 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A13 mock treatment -0.0062 -0.00602 -0.59 -0.0049 -0.00465 -0.35 -0.668 -0.9685 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A14 mock treatment -0.0102 -0.01 -0.99 -0.0129 -0.0127 -0.96 -1.3771 -0.9998 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A15 mock treatment -0.0112 -0.011 -1.09 -0.0079 -0.00765 -0.58 -1.1789 -0.9559 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A16 mock treatment -0.0082 -0.00802 -0.79 -0.0029 -0.00265 -0.2 -0.7006 -0.8588 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A17 mock treatment -0.0032 -0.00302 -0.3 -0.0019 -0.00165 -0.12 -0.2986 -0.925 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A18 mock treatment -0.0062 -0.00602 -0.59 -0.0019 -0.00165 -0.12 -0.5078 -0.8371 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A19 mock treatment -0.0072 -0.00702 -0.69 -0.0029 -0.00265 -0.2 -0.631 -0.8755 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A20 mock treatment -0.0082 -0.00802 -0.79 -0.0109 -0.0106 -0.8 -1.1278 -1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A21 mock treatment -0.0052 -0.00502 -0.5 -0.0039 -0.00365 -0.28 -0.5448 -0.9617 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A22 mock treatment 0.0018 0.00198 0.2 0.0041 0.00435 0.33 0.3705 0.9692 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A23 mock treatment 8.0E-4 9.8E-4 0.1 1.0E-4 3.52E-4 0.03 0.0872 0.8693 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base A24 mock treatment -0.0052 -0.00502 -0.5 -0.0029 -0.00265 -0.2 -0.4914 -0.9204 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B01 mock treatment -0.0082 -0.00805 -0.79 -0.0119 -0.0117 -0.88 -1.1843 -0.9987 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B02 mock treatment -0.0062 -0.00602 -0.59 -0.0049 -0.00465 -0.35 -0.668 -0.9685 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B03 mock treatment -0.0012 -0.00102 -0.1 -0.0019 -0.00165 -0.12 -0.1591 -0.9944 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B04 mock treatment -0.0062 -0.00602 -0.59 -0.0049 -0.00465 -0.35 -0.668 -0.9685 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B05 mock treatment -0.0072 -0.00702 -0.69 -0.0079 -0.00765 -0.58 -0.8978 -0.9959 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B06 mock treatment -0.0102 -0.01 -0.99 -0.0059 -0.00565 -0.43 -1.0024 -0.929 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B07 mock treatment -0.0112 -0.011 -1.09 -0.0089 -0.00865 -0.65 -1.2303 -0.9703 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B08 mock treatment -0.0062 -0.00602 -0.59 -0.0049 -0.00465 -0.35 -0.6679 -0.9685 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B09 mock treatment -0.0042 -0.00402 -0.4 -0.0029 -0.00265 -0.2 -0.4217 -0.9497 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B10 mock treatment -0.0042 -0.00402 -0.4 -0.0059 -0.00565 -0.43 -0.5819 -0.9993 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B11 mock treatment 0.0018 0.00198 0.2 -0.0059 -0.00565 -0.43 -0.1634 -0.3483 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B12 mock treatment -0.0022 -0.00202 -0.2 -0.0029 -0.00265 -0.2 -0.2822 -1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B13 mock treatment -0.0122 -0.012 -1.19 -0.0089 -0.00867 -0.65 -1.3032 -0.9605 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B14 mock treatment -0.0062 -0.00602 -0.59 -0.0079 -0.00767 -0.58 -0.8292 -0.9999 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B15 mock treatment 0.0068 0.00698 0.69 -0.0079 -0.00767 -0.58 0.0775 0.0862 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B16 mock treatment -0.0052 -0.00502 -0.5 -0.0099 -0.00967 -0.73 -0.8662 -0.9821 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B17 mock treatment -0.0092 -0.00902 -0.89 -0.0099 -0.00965 -0.73 -1.1441 -0.9951 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B18 mock treatment -0.0052 -0.00502 -0.5 -0.0049 -0.00465 -0.35 -0.5982 -0.9858 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B19 mock treatment -0.0042 -0.00402 -0.4 -0.0099 -0.00965 -0.73 -0.7954 -0.9591 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B20 mock treatment -0.0092 -0.00902 -0.89 -0.0019 -0.00165 -0.12 -0.7171 -0.7982 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B21 mock treatment -0.0122 -0.012 -1.19 -0.0079 -0.00765 -0.58 -1.2486 -0.945 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B22 mock treatment -0.0092 -0.00905 -0.89 -0.0049 -0.00465 -0.35 -0.8793 -0.9168 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B23 mock treatment -0.0052 -0.00502 -0.5 1.0E-4 3.52E-4 0.03 -0.3312 -0.6682 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base B24 mock treatment -0.0052 -0.00502 -0.5 -0.0089 -0.00865 -0.65 -0.8117 -0.9907 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C01 mock treatment 0.0058 0.00598 0.59 -9.0E-4 -6.5E-4 -0.05 0.3825 0.646 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C02 mock treatment 0.0028 0.00298 0.29 -0.0369 -0.0367 -2.77 -1.7496 -0.6285 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C03 mock treatment -0.0032 -0.00302 -0.3 -9.0E-4 -6.48E-4 -0.05 -0.2451 -0.8124 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C04 mock treatment 0.0038 0.00398 0.39 0.0051 0.00535 0.4 0.5634 0.9999 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C05 mock treatment 0.0018 0.00198 0.2 0.0051 0.00535 0.4 0.4239 0.9444 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C06 mock treatment -0.0012 -0.00102 -0.1 -0.0059 -0.00565 -0.43 -0.3725 -0.8504 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C07 mock treatment 0.0048 0.00498 0.49 0.0011 0.00135 0.1 0.4196 0.8362 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C08 mock treatment -0.0012 -0.00106 -0.1 -0.0039 -0.00365 -0.28 -0.2688 -0.9119 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C09 mock treatment 0.0038 0.00394 0.39 0.0041 0.00433 0.33 0.5061 0.9963 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C10 mock treatment 0.0058 0.00598 0.59 0.0051 0.00535 0.4 0.7029 0.983 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C11 mock treatment 8.0E-4 9.8E-4 0.1 0.0011 0.00135 0.1 0.1406 0.9996 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C12 mock treatment -0.0042 -0.00403 -0.4 0.0051 0.00533 0.4 0.0036 0.0064 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C13 mock treatment 0.0018 0.00198 0.2 -9.0E-4 -6.48E-4 -0.05 0.1036 0.5142 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C14 mock treatment -0.0052 -0.00502 -0.5 -0.0029 -0.00265 -0.2 -0.4915 -0.9204 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C15 mock treatment 0.0078 0.00798 0.79 0.0041 0.00435 0.33 0.789 0.9249 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C16 mock treatment -0.0012 -0.00102 -0.1 -0.0039 -0.00365 -0.28 -0.2658 -0.9068 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C17 mock treatment 0.0048 0.00498 0.49 0.0031 0.00335 0.25 0.5263 0.9524 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C18 mock treatment 0.0038 0.00398 0.39 -0.0019 -0.00165 -0.12 0.1897 0.4606 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C19 mock treatment 0.0058 0.00595 0.59 0.0041 0.00433 0.33 0.6463 0.9619 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C20 mock treatment 0.0048 0.00498 0.49 0.0151 0.0153 1.16 1.1659 0.9272 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C21 mock treatment -2.0E-4 -1.96E-5 0.0 0.0021 0.00235 0.18 0.124 0.6994 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C22 mock treatment 0.0028 0.00298 0.29 1.0E-4 3.49E-4 0.03 0.2265 0.7674 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C23 mock treatment 8.0E-4 9.8E-4 0.1 1.0E-4 3.52E-4 0.03 0.0872 0.8693 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base C24 mock treatment 0.0058 0.00598 0.59 0.0071 0.00735 0.56 0.8097 0.9995 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D01 mock treatment -0.0022 -0.00202 -0.2 -0.0029 -0.00265 -0.2 -0.2821 -1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D02 mock treatment -2.0E-4 -1.96E-5 0.0 -9.0E-4 -6.48E-4 -0.05 -0.0359 -0.7345 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D03 mock treatment 0.0038 0.00398 0.39 0.0021 0.00235 0.18 0.4031 0.9355 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D04 mock treatment 8.0E-4 9.8E-4 0.1 0.0011 0.00135 0.1 0.1406 0.9996 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D05 mock treatment -0.0012 -0.00102 -0.1 -0.0029 -0.00265 -0.2 -0.2124 -0.9493 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D06 mock treatment 0.0018 0.00198 0.2 -9.0E-4 -6.5E-4 -0.05 0.1034 0.5134 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D07 mock treatment 0.0068 0.00695 0.69 0.0051 0.00535 0.4 0.7705 0.9682 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D08 mock treatment 0.0038 0.00398 0.39 0.0021 0.00235 0.18 0.4032 0.9357 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D09 mock treatment -0.0052 -0.00502 -0.5 -0.0089 -0.00865 -0.65 -0.8118 -0.9907 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D10 mock treatment -0.0092 -0.00902 -0.89 -9.0E-4 -6.48E-4 -0.05 -0.6637 -0.7448 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D11 mock treatment 0.0028 0.00298 0.29 0.0051 0.00535 0.4 0.4935 0.9878 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D12 mock treatment 0.0018 0.00194 0.19 -0.0129 -0.0126 -0.95 -0.5398 -0.5543 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D13 mock treatment -2.0E-4 -1.96E-5 0.0 -0.0019 -0.00165 -0.12 -0.0893 -0.718 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D14 mock treatment -2.0E-4 -1.96E-5 0.0 1.0E-4 3.49E-4 0.03 0.0173 0.6536 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D15 mock treatment -0.0012 -0.00102 -0.1 -0.0029 -0.00265 -0.2 -0.2125 -0.9495 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D16 mock treatment 0.0028 0.00298 0.29 0.0021 0.00235 0.18 0.3335 0.9708 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D17 mock treatment 8.0E-4 9.8E-4 0.1 -9.0E-4 -6.48E-4 -0.05 0.0338 0.3119 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D18 mock treatment -2.0E-4 -1.86E-5 0.0 -0.0019 -0.00165 -0.12 -0.0893 -0.7174 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D19 mock treatment -0.062 -0.0619 -6.1 0.0041 0.00435 0.33 -4.0823 -0.6681 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D20 mock treatment 8.0E-4 9.8E-4 0.1 0.0071 0.00733 0.55 0.4598 0.8182 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D21 mock treatment -2.0E-4 -1.96E-5 0.0 -0.0019 -0.00165 -0.12 -0.0893 -0.718 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D22 mock treatment 0.0078 0.00798 0.79 -0.0319 -0.0317 -2.39 -1.1329 -0.4503 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D23 mock treatment -2.0E-4 -1.86E-5 0.0 -0.0019 -0.00165 -0.12 -0.0893 -0.7174 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base D24 mock treatment -0.0012 -0.00102 -0.1 0.0011 0.00135 0.1 0.0011 0.0075 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E01 mock treatment 0.0028 0.00298 0.29 0.0031 0.00335 0.25 0.3868 0.9972 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E02 mock treatment 0.0018 0.00198 0.2 0.0011 0.00135 0.1 0.2102 0.9539 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E03 mock treatment 0.0038 0.00398 0.39 0.0021 0.00235 0.18 0.4031 0.9357 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E04 mock treatment -0.0012 -0.00102 -0.1 -9.0E-4 -6.48E-4 -0.05 -0.1057 -0.9451 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E05 mock treatment -0.0022 -0.00202 -0.2 -0.0019 -0.00165 -0.12 -0.2288 -0.9744 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E06 mock treatment -0.0012 -0.00102 -0.1 -0.0039 -0.00365 -0.28 -0.2659 -0.9069 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E07 mock treatment -0.0052 -0.00502 -0.5 1.0E-4 3.52E-4 0.03 -0.3313 -0.6682 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E08 mock treatment 0.0088 0.00895 0.88 0.0021 0.00235 0.18 0.7499 0.8327 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E09 mock treatment -0.0092 -0.00902 -0.89 -0.0039 -0.00365 -0.28 -0.8238 -0.8846 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E10 mock treatment -0.0082 -0.00805 -0.79 0.0061 0.00635 0.48 -0.2223 -0.2397 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E11 mock treatment 0.0028 0.00298 0.29 -0.0019 -0.00165 -0.12 0.1198 0.3755 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E12 mock treatment 0.0028 0.00298 0.29 0.0031 0.00335 0.25 0.3868 0.9972 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E13 mock treatment 0.0028 0.00298 0.29 -0.0019 -0.00165 -0.12 0.12 0.3758 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E14 mock treatment 0.0018 0.00198 0.2 0.0011 0.00135 0.1 0.2103 0.9542 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E15 mock treatment -0.0112 -0.011 -1.09 -0.0019 -0.00165 -0.12 -0.8566 -0.7829 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E16 mock treatment -0.0042 -0.00402 -0.4 -0.0039 -0.00365 -0.28 -0.4751 -0.9841 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E17 mock treatment -0.0072 -0.00702 -0.69 -0.0069 -0.00665 -0.5 -0.8445 -0.9875 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E18 mock treatment -0.0022 -0.00202 -0.2 -0.0089 -0.00865 -0.65 -0.6024 -0.8826 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E19 mock treatment -0.0012 -0.00102 -0.1 -0.0019 -0.00165 -0.12 -0.1591 -0.9944 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E20 mock treatment 0.0028 0.00298 0.29 0.0031 0.00335 0.25 0.3868 0.9972 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E21 mock treatment -0.0022 -0.00202 -0.2 -0.0029 -0.00265 -0.2 -0.2822 -1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E22 mock treatment -0.0042 -0.00402 -0.4 0.0041 0.00435 0.33 -0.048 -0.0933 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E23 mock treatment -0.0012 -0.00102 -0.1 -9.0E-4 -6.48E-4 -0.05 -0.1057 -0.9451 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base E24 mock treatment -0.0012 -0.00102 -0.1 -0.0059 -0.00565 -0.43 -0.3726 -0.8506 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F01 mock treatment 8.0E-4 9.8E-4 0.1 0.0011 0.00135 0.1 0.1404 0.9997 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F02 mock treatment -0.0042 -0.00402 -0.4 1.0E-4 3.52E-4 0.03 -0.2615 -0.6582 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F03 mock treatment -0.0022 -0.00202 -0.2 1.0E-4 3.52E-4 0.03 -0.1221 -0.6073 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F04 mock treatment -0.0062 -0.00605 -0.6 -0.0029 -0.00265 -0.2 -0.5633 -0.8951 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F05 mock treatment -0.0012 -0.00105 -0.1 0.0041 0.00435 0.33 0.1591 0.4619 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F06 mock treatment -0.0072 -0.00702 -0.69 -0.0069 -0.00665 -0.5 -0.8445 -0.9875 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F07 mock treatment -0.0032 -0.00302 -0.3 0.0071 0.00733 0.55 0.1807 0.2875 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F08 mock treatment -0.0032 -0.00302 -0.3 -0.0049 -0.00465 -0.35 -0.4588 -0.9967 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F09 mock treatment -0.0062 -0.00602 -0.59 0.0021 0.00235 0.18 -0.2943 -0.4748 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F10 mock treatment -0.0042 -0.00402 -0.4 0.0011 0.00135 0.1 -0.2082 -0.5085 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F11 mock treatment 0.0018 0.00198 0.2 -0.0019 -0.00165 -0.12 0.0502 0.2166 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F12 mock treatment 8.0E-4 9.8E-4 0.1 -0.0019 -0.00165 -0.12 -0.0196 -0.1243 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F13 mock treatment -0.0042 -0.00402 -0.4 -0.0049 -0.00465 -0.35 -0.5285 -0.9981 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F14 mock treatment -0.0012 -0.00102 -0.1 -9.0E-4 -6.5E-4 -0.05 -0.1058 -0.9457 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F15 mock treatment 0.0018 0.00198 0.2 -0.0029 -0.00265 -0.2 -0.0032 -0.0114 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F16 mock treatment -0.0072 -0.00705 -0.7 -0.0109 -0.0107 -0.81 -1.0612 -0.9973 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F17 mock treatment 0.0038 0.00398 0.39 -0.0029 -0.00265 -0.2 0.1363 0.3093 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F18 mock treatment 0.0018 0.00198 0.2 -9.0E-4 -6.48E-4 -0.05 0.1036 0.5142 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F19 mock treatment -2.0E-4 -1.96E-5 0.0 0.0031 0.00335 0.25 0.1776 0.7017 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F20 mock treatment 0.0038 0.00398 0.39 0.0011 0.00135 0.1 0.3498 0.8623 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F21 mock treatment -0.0032 -0.00302 -0.3 1.0E-4 3.52E-4 0.03 -0.1918 -0.6414 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F22 mock treatment -0.0072 -0.00705 -0.7 -9.0E-4 -6.48E-4 -0.05 -0.5263 -0.755 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F23 mock treatment -0.0032 -0.00302 -0.3 -0.0029 -0.00265 -0.2 -0.352 -0.9812 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base F24 mock treatment -0.0052 -0.00502 -0.5 -0.0069 -0.00665 -0.5 -0.7052 -1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G01 mock treatment -2.0E-4 -1.98E-5 0.0 0.0031 0.00335 0.25 0.1776 0.7016 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G02 mock treatment 0.0028 0.00298 0.29 -0.0019 -0.00165 -0.12 0.1198 0.3755 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G03 mock treatment -0.0012 -0.00102 -0.1 -9.0E-4 -6.48E-4 -0.05 -0.1057 -0.9451 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G04 mock treatment -0.0012 -0.00102 -0.1 0.0051 0.00535 0.4 0.2147 0.5156 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G05 mock treatment -2.0E-4 -1.96E-5 0.0 0.0061 0.00635 0.48 0.3377 0.7043 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G06 mock treatment 0.0098 0.00998 0.98 0.0031 0.00335 0.25 0.8751 0.8609 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G07 mock treatment 0.0058 0.00598 0.59 0.0031 0.00335 0.25 0.5961 0.9286 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G08 mock treatment -2.0E-4 -1.96E-5 0.0 -0.0039 -0.00365 -0.28 -0.1961 -0.712 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G09 mock treatment 0.0018 0.00198 0.2 -0.0049 -0.00465 -0.35 -0.11 -0.2739 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G10 mock treatment -0.0032 -0.00302 -0.3 -0.0039 -0.00365 -0.28 -0.4053 -0.9992 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G11 mock treatment 0.0028 0.00298 0.29 1.0E-4 3.52E-4 0.03 0.2267 0.7679 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G12 mock treatment 0.0068 0.00698 0.69 0.0051 0.00535 0.4 0.7726 0.9677 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G13 mock treatment 0.0028 0.00298 0.29 0.0021 0.00235 0.18 0.3335 0.9708 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G14 mock treatment 0.0078 0.00798 0.79 0.0011 0.00135 0.1 0.6288 0.7922 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G15 mock treatment 0.0038 0.00398 0.39 -0.0039 -0.00365 -0.28 0.0829 0.1729 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G16 mock treatment 0.0038 0.00398 0.39 -0.0029 -0.00265 -0.2 0.1362 0.3092 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G17 mock treatment 0.0058 0.00595 0.59 0.0021 0.00235 0.18 0.5406 0.8816 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G18 mock treatment 0.0038 0.00398 0.39 0.0021 0.00235 0.18 0.403 0.9355 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G19 mock treatment 0.0088 0.00895 0.88 0.0111 0.0113 0.86 1.2292 0.9999 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G20 mock treatment 0.0058 0.00598 0.59 0.0021 0.00235 0.18 0.5427 0.8809 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G21 mock treatment -2.0E-4 -1.96E-5 0.0 0.0121 0.0123 0.93 0.657 0.7056 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G22 mock treatment -0.0122 -0.012 -1.19 -0.0069 -0.00667 -0.5 -1.1964 -0.9269 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G23 mock treatment -2.0E-4 -1.96E-5 0.0 0.0011 0.00135 0.1 0.0707 0.6936 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base G24 mock treatment -0.0042 -0.00402 -0.4 -0.0049 -0.00465 -0.35 -0.5285 -0.9981 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H01 mock treatment -0.0042 -0.00402 -0.4 -0.0089 -0.00865 -0.65 -0.7419 -0.9714 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H02 mock treatment 0.0018 0.00198 0.2 0.0021 0.00235 0.18 0.2635 0.9988 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H03 mock treatment 0.0038 0.00398 0.39 0.0011 0.00135 0.1 0.3497 0.862 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H04 mock treatment 8.0E-4 9.8E-4 0.1 0.0051 0.00535 0.4 0.3541 0.8523 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H05 mock treatment 0.0018 0.00198 0.2 0.0041 0.00435 0.33 0.3705 0.9692 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H06 mock treatment 0.0038 0.00398 0.39 0.0041 0.00435 0.33 0.51 0.9961 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H07 mock treatment -2.0E-4 -1.96E-5 0.0 0.0021 0.00235 0.18 0.1242 0.6994 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H08 mock treatment -0.0012 -0.00102 -0.1 -9.0E-4 -6.48E-4 -0.05 -0.1057 -0.9451 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H09 mock treatment -2.0E-4 -1.98E-5 0.0 -0.0029 -0.00265 -0.2 -0.1427 -0.714 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H10 mock treatment -0.0042 -0.00402 -0.4 1.0E-4 3.52E-4 0.03 -0.2616 -0.6582 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H11 mock treatment 0.0028 0.00298 0.29 1.0E-4 3.52E-4 0.03 0.2267 0.7679 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H12 mock treatment 0.0098 0.00995 0.98 0.0041 0.00433 0.33 0.9253 0.8944 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H13 mock treatment -0.0022 -0.00202 -0.2 0.0051 0.00533 0.4 0.1437 0.3199 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H14 mock treatment 0.0088 0.00898 0.89 0.0021 0.00235 0.18 0.7518 0.8322 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H15 mock treatment 0.0068 0.00698 0.69 0.0081 0.00835 0.63 0.9328 0.999 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H16 mock treatment -0.0032 -0.00302 -0.3 -0.0049 -0.00465 -0.35 -0.4587 -0.9967 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H17 mock treatment -0.0012 -0.00102 -0.1 -0.0039 -0.00365 -0.28 -0.2659 -0.9069 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H18 mock treatment 8.0E-4 9.8E-4 0.1 0.0031 0.00335 0.25 0.2473 0.9129 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H19 mock treatment 0.0028 0.00295 0.29 0.0031 0.00333 0.25 0.3837 0.9974 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H20 mock treatment -2.0E-4 -2.06E-5 0.0 0.0061 0.00635 0.48 0.3377 0.7041 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H21 mock treatment -0.0112 -0.011 -1.09 -9.0E-4 -6.48E-4 -0.05 -0.8053 -0.7381 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H22 mock treatment 0.0018 0.00198 0.2 0.0031 0.00335 0.25 0.3171 0.9918 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H23 mock treatment 0.0038 0.00398 0.39 0.0011 0.00135 0.1 0.3497 0.862 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base H24 mock treatment -0.0042 -0.00402 -0.4 -0.0079 -0.00765 -0.58 -0.6887 -0.9832 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I01 mock treatment -0.0022 -0.00202 -0.2 -0.0029 -0.00265 -0.2 -0.2821 -1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I02 mock treatment 0.0078 0.00798 0.79 0.0051 0.00535 0.4 0.8424 0.952 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I03 mock treatment 8.0E-4 9.8E-4 0.1 0.0021 0.00235 0.18 0.1938 0.9593 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I04 mock treatment 8.0E-4 9.8E-4 0.1 -9.0E-4 -6.48E-4 -0.05 0.0338 0.3119 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I05 mock treatment -0.0022 -0.00202 -0.2 0.0011 0.00135 0.1 -0.0688 -0.3075 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I06 mock treatment 0.0038 0.00398 0.39 -9.0E-4 -6.48E-4 -0.05 0.2431 0.6143 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I07 mock treatment -0.0032 -0.00302 -0.3 0.0011 0.00135 0.1 -0.1385 -0.4397 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I08 mock treatment -0.0022 -0.00202 -0.2 -0.0019 -0.00165 -0.12 -0.2288 -0.9743 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I09 mock treatment -0.0012 -0.00102 -0.1 1.0E-4 3.52E-4 0.03 -0.0523 -0.5028 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I10 mock treatment 8.0E-4 9.8E-4 0.1 -9.0E-4 -6.48E-4 -0.05 0.0338 0.3119 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I11 mock treatment 0.0018 0.00198 0.2 0.0011 0.00135 0.1 0.2103 0.9542 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I12 mock treatment 8.0E-4 9.8E-4 0.1 -0.0039 -0.00365 -0.28 -0.1263 -0.4329 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I13 mock treatment -0.0012 -0.00102 -0.1 0.0011 0.00135 0.1 0.0011 0.0075 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I14 mock treatment -0.0072 -0.00705 -0.7 -0.0049 -0.00465 -0.35 -0.7398 -0.9498 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I15 mock treatment -0.0012 -0.00102 -0.1 0.0051 0.00535 0.4 0.2146 0.5154 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I16 mock treatment 0.0038 0.00398 0.39 -0.0049 -0.00465 -0.35 0.0294 0.0559 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I17 mock treatment 0.0048 0.00498 0.49 1.0E-4 3.52E-4 0.03 0.3662 0.7443 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I18 mock treatment 0.0118 0.012 1.18 0.0071 0.00735 0.56 1.2281 0.9406 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I19 mock treatment 0.0058 0.00598 0.59 0.0021 0.00235 0.18 0.5427 0.8809 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I20 mock treatment 0.0058 0.00598 0.59 0.0021 0.00235 0.18 0.5427 0.8809 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I21 mock treatment -0.0062 -0.00602 -0.59 -9.0E-4 -6.48E-4 -0.05 -0.4544 -0.7628 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I22 mock treatment 8.0E-4 9.8E-4 0.1 1.0E-4 3.49E-4 0.03 0.087 0.8682 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I23 mock treatment 0.0058 0.00598 0.59 0.0051 0.00535 0.4 0.7029 0.983 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base I24 mock treatment 8.0E-4 9.8E-4 0.1 -0.0049 -0.00465 -0.35 -0.1797 -0.4938 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J01 mock treatment -0.0022 -0.00202 -0.2 -0.0099 -0.00967 -0.73 -0.6569 -0.8683 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J02 mock treatment -2.0E-4 -1.96E-5 0.0 -9.0E-4 -6.48E-4 -0.05 -0.0359 -0.7345 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J03 mock treatment 8.0E-4 9.8E-4 0.1 -0.0019 -0.00165 -0.12 -0.0196 -0.1243 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J04 mock treatment 8.0E-4 9.8E-4 0.1 0.0011 0.00135 0.1 0.1406 0.9996 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J05 mock treatment 8.0E-4 9.8E-4 0.1 0.0031 0.00335 0.25 0.2473 0.9129 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J06 mock treatment -2.0E-4 -1.86E-5 0.0 0.0051 0.00535 0.4 0.2844 0.7039 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J07 mock treatment 8.0E-4 9.8E-4 0.1 -9.0E-4 -6.48E-4 -0.05 0.0338 0.3119 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J08 mock treatment 0.0018 0.00198 0.2 0.0021 0.00235 0.18 0.2637 0.9989 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J09 mock treatment -0.0092 -0.00905 -0.89 -0.0049 -0.00465 -0.35 -0.8793 -0.9168 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J10 mock treatment -0.0012 -0.00102 -0.1 -0.0029 -0.00265 -0.2 -0.2124 -0.9493 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J11 mock treatment -0.0032 -0.00302 -0.3 -0.0029 -0.00265 -0.2 -0.3519 -0.9812 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J12 mock treatment -0.0082 -0.00802 -0.79 -0.0069 -0.00665 -0.5 -0.9142 -0.9759 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J13 mock treatment 0.0018 0.00198 0.2 0.0031 0.00335 0.25 0.3171 0.9918 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J14 mock treatment -0.0032 -0.00305 -0.3 -0.0029 -0.00265 -0.2 -0.3541 -0.9803 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J15 mock treatment 0.0018 0.00198 0.2 -0.0019 -0.00165 -0.12 0.0502 0.2166 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J16 mock treatment 0.0058 0.00598 0.59 0.0021 0.00235 0.18 0.5425 0.8808 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J17 mock treatment 8.0E-4 9.8E-4 0.1 -0.0039 -0.00365 -0.28 -0.1263 -0.4329 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J18 mock treatment 8.0E-4 9.8E-4 0.1 0.0031 0.00335 0.25 0.2473 0.9129 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J19 mock treatment 0.0048 0.00498 0.49 -9.0E-4 -6.48E-4 -0.05 0.3128 0.6336 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J20 mock treatment -0.0022 -0.00202 -0.2 0.0041 0.00435 0.33 0.0915 0.2381 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J21 mock treatment -0.0062 -0.00602 -0.59 -0.0019 -0.00165 -0.12 -0.5078 -0.8371 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J22 mock treatment -0.0032 -0.00302 -0.3 -9.0E-4 -6.48E-4 -0.05 -0.2452 -0.8123 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J23 mock treatment -0.0012 -0.00102 -0.1 -0.0029 -0.00265 -0.2 -0.2125 -0.9495 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base J24 mock treatment -0.0112 -0.011 -1.09 -0.0129 -0.0127 -0.96 -1.4469 -0.9979 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K01 mock treatment 0.0018 0.00198 0.2 -0.0029 -0.00265 -0.2 -0.0032 -0.0114 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K02 mock treatment -0.0402 -0.04 -3.95 -0.0059 -0.00565 -0.43 -3.0935 -0.7789 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K03 mock treatment 0.0068 0.00698 0.69 1.0E-4 3.52E-4 0.03 0.5057 0.7339 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K04 mock treatment -0.0012 -0.00102 -0.1 -9.0E-4 -6.48E-4 -0.05 -0.1057 -0.9451 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K05 mock treatment -0.0092 -0.00905 -0.89 -0.0069 -0.00665 -0.5 -0.9861 -0.9629 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K06 mock treatment 0.0028 0.00298 0.29 -0.0029 -0.00265 -0.2 0.0665 0.187 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K07 mock treatment 0.0078 0.00795 0.78 0.0051 0.00533 0.4 0.8392 0.952 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K08 mock treatment -0.0012 -0.00102 -0.1 0.0011 0.00133 0.1 0.0 0.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K09 mock treatment 0.0048 0.00498 0.49 1.0E-4 3.52E-4 0.03 0.3662 0.7443 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K10 mock treatment -0.0082 -0.00805 -0.79 0.0011 0.00135 0.1 -0.4893 -0.6112 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K11 mock treatment -2.0E-4 -1.96E-5 0.0 1.0E-4 3.52E-4 0.03 0.0174 0.654 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K12 mock treatment -0.0062 -0.00602 -0.59 -0.0029 -0.00265 -0.2 -0.5612 -0.8958 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K13 mock treatment -0.0062 -0.00605 -0.6 -0.0049 -0.00465 -0.35 -0.6701 -0.9679 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K14 mock treatment -0.0052 -0.00505 -0.5 -0.0039 -0.00365 -0.28 -0.5469 -0.961 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K15 mock treatment -0.0042 -0.00402 -0.4 -0.0039 -0.00365 -0.28 -0.475 -0.9842 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K16 mock treatment -0.0012 -0.00102 -0.1 -0.0029 -0.00265 -0.2 -0.2125 -0.9495 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K17 mock treatment 0.0028 0.00298 0.29 0.0121 0.0123 0.93 0.8663 0.8873 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K18 mock treatment 0.0088 0.00898 0.89 -0.0029 -0.00265 -0.2 0.485 0.5341 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K19 mock treatment 0.0018 0.00198 0.2 -9.0E-4 -6.48E-4 -0.05 0.1036 0.5142 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K20 mock treatment -0.0062 -0.00602 -0.59 -0.0039 -0.00365 -0.28 -0.6146 -0.939 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K21 mock treatment -2.0E-4 -1.96E-5 0.0 -0.0019 -0.00165 -0.12 -0.0893 -0.718 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K22 mock treatment -0.0012 -0.00102 -0.1 -0.0029 -0.00265 -0.2 -0.2125 -0.9495 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K23 mock treatment 8.0E-4 9.8E-4 0.1 -0.0079 -0.00767 -0.58 -0.3409 -0.5809 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base K24 mock treatment -0.0072 -0.00702 -0.69 -0.0109 -0.0107 -0.81 -1.059 -0.9972 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L01 mock treatment -0.0072 -0.00705 -0.7 -0.0079 -0.00767 -0.58 -0.901 -0.9958 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L02 mock treatment -0.0062 -0.00602 -0.59 -0.0039 -0.00365 -0.28 -0.6146 -0.939 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L03 mock treatment -0.0062 -0.00602 -0.59 -0.0049 -0.00465 -0.35 -0.6679 -0.9685 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L04 mock treatment 0.0018 0.00198 0.2 0.0021 0.00235 0.18 0.2636 0.9989 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L05 mock treatment -0.0012 -0.00102 -0.1 0.0021 0.00235 0.18 0.0543 0.2663 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L06 mock treatment -0.0012 -0.00102 -0.1 0.0081 0.00835 0.63 0.3748 0.587 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L07 mock treatment -0.0012 -0.00102 -0.1 0.0121 0.0123 0.93 0.5872 0.6271 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L08 mock treatment 0.0028 0.00295 0.29 0.0011 0.00135 0.1 0.278 0.9013 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L09 mock treatment -0.0062 -0.00602 -0.59 -0.0049 -0.00465 -0.35 -0.6679 -0.9685 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L10 mock treatment -0.0072 -0.00702 -0.69 -0.0039 -0.00365 -0.28 -0.6843 -0.9184 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L11 mock treatment -0.0062 -0.00602 -0.59 -0.0039 -0.00365 -0.28 -0.6146 -0.939 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L12 mock treatment -0.0062 -0.00602 -0.59 -9.0E-4 -6.48E-4 -0.05 -0.4544 -0.7628 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L13 mock treatment -0.0052 -0.00505 -0.5 0.0021 0.00235 0.18 -0.2266 -0.4285 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L14 mock treatment -0.0022 -0.00202 -0.2 -0.0029 -0.00265 -0.2 -0.2822 -1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L15 mock treatment -0.0042 -0.00402 -0.4 1.0E-4 3.52E-4 0.03 -0.2615 -0.6582 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L16 mock treatment -0.0052 -0.00502 -0.5 -0.0069 -0.00665 -0.5 -0.705 -1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L17 mock treatment -0.0042 -0.00402 -0.4 0.0011 0.00135 0.1 -0.2082 -0.5085 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L18 mock treatment 0.0098 0.00998 0.98 0.0031 0.00335 0.25 0.8752 0.8609 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L19 mock treatment -0.0052 -0.00502 -0.5 -0.0029 -0.00265 -0.2 -0.4914 -0.9204 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L20 mock treatment -0.0072 -0.00702 -0.69 -0.0039 -0.00365 -0.28 -0.6843 -0.9184 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L21 mock treatment -0.0042 -0.00402 -0.4 -0.0069 -0.00665 -0.5 -0.6352 -0.9932 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L22 mock treatment -0.0072 -0.00705 -0.7 -0.0029 -0.00265 -0.2 -0.633 -0.8749 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L23 mock treatment -0.0042 -0.00402 -0.4 -0.0029 -0.00265 -0.2 -0.4217 -0.9497 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base L24 mock treatment -0.0102 -0.01 -0.99 -0.0109 -0.0107 -0.81 -1.2704 -0.9947 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M01 mock treatment 0.0108 0.011 1.08 0.0081 0.00835 0.63 1.2097 0.9672 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M02 mock treatment 0.0138 0.014 1.38 0.0121 0.0123 0.93 1.6314 0.9819 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M03 mock treatment 0.0148 0.015 1.47 0.0081 0.00835 0.63 1.4887 0.9282 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M04 mock treatment 0.0158 0.016 1.57 0.0281 0.0283 2.14 2.625 0.9886 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M05 mock treatment 0.0158 0.016 1.57 0.0141 0.0143 1.08 1.8776 0.9833 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M06 mock treatment 0.0028 0.00298 0.29 0.0051 0.00535 0.4 0.4937 0.9878 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M07 mock treatment 0.0608 0.0609 6.01 0.0191 0.0193 1.46 5.2826 0.854 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M08 mock treatment 0.0088 0.00895 0.88 0.0131 0.0133 1.01 1.336 0.9979 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M09 mock treatment 0.0128 0.013 1.28 0.0091 0.00933 0.7 1.4015 0.9607 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M10 mock treatment -0.0012 -0.00102 -0.1 0.0191 0.0193 1.46 0.9609 0.6568 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M11 mock treatment 0.0068 0.00698 0.69 0.0071 0.00735 0.56 0.8794 0.9943 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M12 mock treatment 0.0078 0.00798 0.79 0.0081 0.00835 0.63 1.0025 0.994 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M13 mock treatment 0.0078 0.00798 0.79 0.0061 0.00635 0.48 0.8957 0.9718 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M14 mock treatment 0.0098 0.00998 0.98 0.0311 0.0313 2.37 2.3688 0.9245 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M15 mock treatment 0.0068 0.00698 0.69 0.0051 0.00535 0.4 0.7726 0.9677 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M16 mock treatment 0.0088 0.00898 0.89 0.0501 0.0503 3.8 3.3133 0.8492 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M17 mock treatment 0.0098 0.00995 0.98 0.0101 0.0103 0.78 1.2456 0.9935 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M18 mock treatment 0.0118 0.012 1.18 0.0031 0.00335 0.25 1.0126 0.8398 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M19 mock treatment -0.0012 -0.00102 -0.1 -0.0059 -0.00565 -0.43 -0.3725 -0.8504 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M20 mock treatment 0.0108 0.011 1.08 0.0151 0.0153 1.16 1.5823 0.9994 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M21 mock treatment 0.0228 0.023 2.26 0.0271 0.0273 2.06 3.0599 0.9989 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M22 mock treatment 0.0158 0.016 1.57 0.0111 0.0113 0.86 1.7176 0.959 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M23 mock treatment 0.0068 0.00698 0.69 0.0031 0.00335 0.25 0.6659 0.9076 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base M24 mock treatment 0.0048 0.00498 0.49 0.0111 0.0113 0.86 0.9524 0.9653 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N01 mock treatment 0.0058 0.00598 0.59 0.0141 0.0143 1.08 1.1823 0.9593 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N02 mock treatment 0.0078 0.00798 0.79 1.0E-4 3.52E-4 0.03 0.5754 0.7306 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N03 mock treatment 0.0088 0.00898 0.89 0.0131 0.0133 1.01 1.3381 0.998 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N04 mock treatment 0.0098 0.00998 0.98 0.0131 0.0133 1.01 1.4079 0.9999 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N05 mock treatment 0.0068 0.00698 0.69 0.0111 0.0114 0.86 1.0929 0.9941 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N06 mock treatment 0.0078 0.00798 0.79 0.0131 0.0133 1.01 1.2684 0.9926 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N07 mock treatment 0.0188 0.019 1.87 0.0071 0.00733 0.55 1.7132 0.8788 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N08 mock treatment 0.0078 0.00795 0.78 0.0091 0.00933 0.7 1.0527 0.9986 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N09 mock treatment 0.0268 0.027 2.66 0.0131 0.0133 1.01 2.5915 0.9117 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N10 mock treatment 0.0128 0.013 1.28 0.0091 0.00935 0.71 1.4026 0.9609 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N11 mock treatment 0.0138 0.014 1.38 0.0071 0.00735 0.56 1.3656 0.9203 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N12 mock treatment 0.0048 0.00498 0.49 0.0051 0.00535 0.4 0.6332 0.9953 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N13 mock treatment 0.0048 0.00498 0.49 0.0101 0.0103 0.78 0.899 0.9752 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N14 mock treatment 0.0028 0.00298 0.29 0.0041 0.00435 0.33 0.4402 0.9985 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N15 mock treatment 0.0028 0.00298 0.29 0.0041 0.00435 0.33 0.4402 0.9985 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N16 mock treatment 8.0E-4 9.8E-4 0.1 0.0121 0.0123 0.93 0.7267 0.7764 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N17 mock treatment 0.0228 0.023 2.26 -9.0E-4 -6.48E-4 -0.05 1.5662 0.6917 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N18 mock treatment 0.0148 0.015 1.47 0.0081 0.00835 0.63 1.4887 0.9282 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N19 mock treatment 0.0078 0.00798 0.79 1.0E-4 3.5E-4 0.03 0.5754 0.7304 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N20 mock treatment 0.0228 0.023 2.26 -0.0019 -0.00165 -0.12 1.5128 0.6672 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N21 mock treatment 0.0068 0.00698 0.69 1.0E-4 3.52E-4 0.03 0.5058 0.7339 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N22 mock treatment 8.0E-4 9.8E-4 0.1 0.0011 0.00135 0.1 0.1404 0.9997 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N23 mock treatment -2.0E-4 -1.96E-5 0.0 -9.0E-4 -6.48E-4 -0.05 -0.0359 -0.7345 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base N24 mock treatment 0.0208 0.021 2.07 1.0E-4 3.52E-4 0.03 1.4801 0.7161 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O01 mock treatment -0.0032 -0.00302 -0.3 -0.0069 -0.00665 -0.5 -0.5655 -0.969 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O02 mock treatment -0.0022 -0.00202 -0.2 -0.0029 -0.00265 -0.2 -0.2822 -1.0 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O03 mock treatment -0.0012 -0.00102 -0.1 -0.0059 -0.00565 -0.43 -0.3726 -0.8506 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O04 mock treatment 0.0028 0.00298 0.29 1.0E-4 3.52E-4 0.03 0.2266 0.768 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O05 mock treatment -0.0012 -0.00102 -0.1 0.0021 0.00235 0.18 0.0545 0.2668 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O06 mock treatment -2.0E-4 -1.86E-5 0.0 -0.0039 -0.00365 -0.28 -0.196 -0.7118 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O07 mock treatment -0.0012 -0.00102 -0.1 -0.0069 -0.00665 -0.5 -0.4259 -0.8322 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O08 mock treatment 8.0E-4 9.8E-4 0.1 -0.0039 -0.00365 -0.28 -0.1263 -0.4329 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O09 mock treatment -0.0032 -0.00302 -0.3 -0.0099 -0.00965 -0.73 -0.7257 -0.9222 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O10 mock treatment -0.0032 -0.00302 -0.3 -0.0079 -0.00765 -0.58 -0.6189 -0.9526 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O11 mock treatment -0.0062 -0.00602 -0.59 -0.0069 -0.00667 -0.5 -0.7758 -0.9966 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O12 mock treatment -0.0052 -0.00502 -0.5 -0.0029 -0.00265 -0.2 -0.4914 -0.9204 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O13 mock treatment -0.0022 -0.00202 -0.2 -0.0069 -0.00665 -0.5 -0.4957 -0.918 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O14 mock treatment -0.0032 -0.00302 -0.3 -9.0E-4 -6.5E-4 -0.05 -0.2453 -0.8127 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O15 mock treatment -2.0E-4 -1.96E-5 0.0 1.0E-4 3.52E-4 0.03 0.0174 0.654 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O16 mock treatment -0.0012 -0.00102 -0.1 0.0011 0.00135 0.1 0.001 0.007 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O17 mock treatment 0.0028 0.00298 0.29 -0.0019 -0.00165 -0.12 0.1199 0.3757 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O18 mock treatment -0.0022 -0.00202 -0.2 -0.0059 -0.00565 -0.43 -0.4424 -0.9399 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O19 mock treatment -0.0042 -0.00402 -0.4 -0.0079 -0.00765 -0.58 -0.6885 -0.9832 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O20 mock treatment -0.0012 -0.00102 -0.1 1.0E-4 3.52E-4 0.03 -0.0523 -0.5028 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O21 mock treatment -0.0022 -0.00202 -0.2 -0.0039 -0.00365 -0.28 -0.3356 -0.9874 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O22 mock treatment 0.0018 0.00198 0.2 1.0E-4 3.52E-4 0.03 0.1569 0.796 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O23 mock treatment -0.0022 -0.00202 -0.2 -0.0079 -0.00765 -0.58 -0.5491 -0.8991 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base O24 mock treatment -0.0012 -0.00102 -0.1 -9.0E-4 -6.5E-4 -0.05 -0.1058 -0.9458 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P01 mock treatment -0.0042 -0.00402 -0.4 -0.0069 -0.00665 -0.5 -0.6352 -0.9932 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P02 mock treatment 0.0028 0.00298 0.29 0.0021 0.00235 0.18 0.3335 0.9708 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P03 mock treatment -2.0E-4 -1.98E-5 0.0 -0.0029 -0.00265 -0.2 -0.1427 -0.714 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P04 mock treatment -2.0E-4 -1.96E-5 0.0 -0.0039 -0.00365 -0.28 -0.1961 -0.712 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P05 mock treatment -0.0052 -0.00502 -0.5 -0.0079 -0.00765 -0.58 -0.7584 -0.9971 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P06 mock treatment 8.0E-4 9.8E-4 0.1 -0.0039 -0.00365 -0.28 -0.1263 -0.4329 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P07 mock treatment -0.0012 -0.00102 -0.1 0.0021 0.00235 0.18 0.0545 0.2672 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P08 mock treatment -0.0042 -0.00402 -0.4 -0.0089 -0.00867 -0.65 -0.7431 -0.9712 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P09 mock treatment 8.0E-4 9.8E-4 0.1 -0.0019 -0.00165 -0.12 -0.0196 -0.1243 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P10 mock treatment -0.0012 -0.00102 -0.1 -0.0049 -0.00465 -0.35 -0.3192 -0.8744 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P11 mock treatment -0.0032 -0.00302 -0.3 -0.0029 -0.00265 -0.2 -0.352 -0.9812 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P12 mock treatment -0.0022 -0.00202 -0.2 0.0011 0.00135 0.1 -0.0688 -0.3077 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P13 mock treatment 0.0038 0.00395 0.39 0.0031 0.00333 0.25 0.4534 0.9776 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P14 mock treatment 0.0038 0.00398 0.39 1.0E-4 3.52E-4 0.03 0.2964 0.7533 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P15 mock treatment 0.0018 0.00198 0.2 -9.0E-4 -6.48E-4 -0.05 0.1036 0.5142 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P16 mock treatment 0.0338 0.034 3.35 0.0081 0.00835 0.63 2.814 0.8257 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P17 mock treatment 0.0038 0.00398 0.39 -0.0019 -0.00165 -0.12 0.1896 0.4601 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P18 mock treatment -0.0052 -0.00502 -0.5 -0.0079 -0.00765 -0.58 -0.7584 -0.9971 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P19 mock treatment -0.0042 -0.00402 -0.4 -0.0049 -0.00465 -0.35 -0.5285 -0.9981 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P20 mock treatment 0.0018 0.00198 0.2 -9.0E-4 -6.51E-4 -0.05 0.1034 0.5133 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P21 mock treatment -0.0042 -0.00402 -0.4 -0.0089 -0.00867 -0.65 -0.7431 -0.9712 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P22 mock treatment -0.0052 -0.00502 -0.5 -0.0089 -0.00867 -0.65 -0.8128 -0.9905 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P23 mock treatment 0.0048 0.00498 0.49 1.0E-4 3.52E-4 0.03 0.3662 0.7443 1062.0012 Calc(E1-E2)(1062.0012) GDHGSAssay 1062.0012.Base P24 mock treatment 0.0128 0.013 1.28 -9.0E-4 -6.51E-4 -0.05 0.8685 0.6794