O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000001002587 GD Annotated Reactive Cc1nn(-c2ccccc2)nc1CNS(=O)(=O)c1ccc2c(c1)OCCN2C ZINC000001034898 GD Annotated Anodyne Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OCC(N)=O ZINC000001108914 GD Annotated Anodyne Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OCC(N)=O ZINC000001108915 GD Annotated Anodyne CN1CC[C@@]23C(=O)C[C@@H]4C(=CCO[C@@H]5CC(=O)N(c6c(O)cccc62)[C@@H]3[C@H]45)C1 ZINC000001319405 GD Annotated Anodyne in-vitro biogenic CCOc1cc(S(=O)(=O)NCc2ccco2)c(OCC)cc1-n1cnnn1 ZINC000001325355 GD Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC(O)(c3cccnc3)CC2)cc1OC ZINC000001348106 GD Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4ccccn4)CC3)cc21 ZINC000001488509 GD Annotated Anodyne N=C(N)c1ccc(O[C@H]2CO[C@@H]3[C@H](Oc4cccc(C(=N)N)c4)CO[C@H]23)cc1 ZINC000001491358 GD Annotated Anodyne in-vivo O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(F)cc3)nc2)C(=O)N1 ZINC000001494792 GD Annotated Anodyne C[C@@H](NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO ZINC000010450344 GD Annotated Mild C[C@H](NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO ZINC000010450345 GD Annotated Mild C[C@@H]1C(=O)c2nc(CCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034665 GD Annotated Anodyne C[C@H]1C(=O)c2nc(CCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034667 GD Annotated Anodyne CO[C:20]1=[CH:16][C@@H:9]2[C@:5]3([c:3]4[c:2](OS(=O)(=O)O)[c:4]([O:7][CH3:14])[cH:8][cH:13][c:6]4[CH2:12][C@@H:15]2[NH:19][CH2:18][CH2:11]3)[CH2:10][C:17]1=[O:21] ZINC000100044532 GD Annotated Mild in-vitro biogenic CO[C:20]1=[CH:16][C@@H:9]2[C@@:5]3([c:3]4[c:2](OS(=O)(=O)O)[c:4]([O:7][CH3:14])[cH:8][cH:13][c:6]4[CH2:12][C@@H:15]2[NH:19][CH2:18][CH2:11]3)[CH2:10][C:17]1=[O:21] ZINC000100044535 GD Annotated Mild in-vitro biogenic CO[C:20]1=[CH:16][C@@H:9]2[C@:5]3([c:3]4[c:2](OS(=O)(=O)O)[c:4]([O:7][CH3:14])[cH:8][cH:13][c:6]4[CH2:12][C@H:15]2[NH:19][CH2:18][CH2:11]3)[CH2:10][C:17]1=[O:21] ZINC000100044539 GD Annotated Mild in-vitro biogenic CO[C:20]1=[CH:16][C@@H:9]2[C@@:5]3([c:3]4[c:2](OS(=O)(=O)O)[c:4]([O:7][CH3:14])[cH:8][cH:13][c:6]4[CH2:12][C@H:15]2[NH:19][CH2:18][CH2:11]3)[CH2:10][C:17]1=[O:21] ZINC000100044541 GD Annotated Mild in-vitro biogenic O=S(=O)(O)O[c:2]1[c:3]2[c:6]([cH:13][cH:8][c:4]1[O:7][CH3:14])[CH2:12][C@H:15]1[C@H:9]3[C@:5]2([CH2:10][C:17](=[O:21])[C:20](O)=[CH:16]3)[CH2:11][CH2:18][NH:19]1 ZINC000100044544 GD Annotated Mild in-vitro biogenic O=S(=O)(O)O[c:2]1[c:3]2[c:6]([cH:13][cH:8][c:4]1[O:7][CH3:14])[CH2:12][C@H:15]1[C@H:9]3[C@@:5]2([CH2:10][C:17](=[O:21])[C:20](O)=[CH:16]3)[CH2:11][CH2:18][NH:19]1 ZINC000100044545 GD Annotated Mild in-vitro biogenic O=S(=O)(O)O[c:2]1[c:3]2[c:6]([cH:13][cH:8][c:4]1[O:7][CH3:14])[CH2:12][C@@H:15]1[C@H:9]3[C@:5]2([CH2:10][C:17](=[O:21])[C:20](O)=[CH:16]3)[CH2:11][CH2:18][NH:19]1 ZINC000100044548 GD Annotated Mild in-vitro biogenic O=S(=O)(O)O[c:2]1[c:3]2[c:6]([cH:13][cH:8][c:4]1[O:7][CH3:14])[CH2:12][C@@H:15]1[C@H:9]3[C@@:5]2([CH2:10][C:17](=[O:21])[C:20](O)=[CH:16]3)[CH2:11][CH2:18][NH:19]1 ZINC000100044552 GD Annotated Mild in-vitro biogenic C#C[C@H]1CC[C@@H](C#N)N1C(=O)CN[C@@H]1CC[C@@H](Oc2ccc(C#N)cn2)CC1 ZINC000100065038 GD Annotated Mild CCOC(=O)[C@@H](C(=O)O)N1C=CC(C(=O)N/N=C/c2ccccc2Cl)C=C1 ZINC000100086971 GD Annotated Reactive CCOC(=O)[C@H](C(=O)O)N1C=CC(C(=O)N/N=C/c2ccccc2Cl)C=C1 ZINC000100086974 GD Annotated Reactive CCOC(=O)[C@@H](C(=O)O)N1C=CCC(C(=O)N/N=C/c2ccc(OC)cc2)=C1 ZINC000100086992 GD Annotated Reactive CCOC(=O)[C@H](C(=O)O)N1C=CCC(C(=O)N/N=C/c2ccc(OC)cc2)=C1 ZINC000100086996 GD Annotated Reactive C/C=C/C=C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)C[C@H](C)O)C(=O)[C@@]23O[C@@H]3O1 ZINC000100088445 GD Annotated Mild in-vitro C/C=C/C=C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)C[C@H](C)O)C(=O)[C@]23O[C@H]3O1 ZINC000100088449 GD Annotated Mild in-vitro Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccnc3)cc2)c1 ZINC000100093289 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(CCC)[C@@H]21 ZINC000100099669 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC)[C@@H](C(=O)NCC2CC2)[C@@H]1CO ZINC000100105003 GD Annotated Anodyne Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccnc3)cc2)c1 ZINC000100106263 GD Annotated Anodyne O=C(CN1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000100106597 GD Annotated Anodyne O=C(CN1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100106601 GD Annotated Anodyne Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)c1 ZINC000100107158 GD Annotated Anodyne Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccncc3)cc2)c1 ZINC000100107161 GD Annotated Anodyne O=C(CN1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100108132 GD Annotated Anodyne CC(C)NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#C[C@H](C)O)cc3)[C@@H]2C1 ZINC000100120030 GD Annotated Mild CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000100131144 GD Annotated Anodyne in-vitro CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000100131149 GD Annotated Anodyne in-vitro CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000100131152 GD Annotated Anodyne in-vitro CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000100131155 GD Annotated Anodyne in-vitro C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1C(=O)C1CC1 ZINC000100138777 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1C(=O)C1CC1 ZINC000100138782 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1CC1CC1 ZINC000100138798 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1CC1CC1 ZINC000100138802 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)N(Cc3cocn3)[C@@H]21 ZINC000100139597 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2cocn2)[C@@H](C(=O)NCC)[C@@H]1CO ZINC000100139602 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1C(=O)CC ZINC000100141324 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1C(=O)CC ZINC000100141327 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC)[C@@H](C(=O)NCCC)[C@@H]1CO ZINC000100141330 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)N(C(=O)CC)[C@@H]21 ZINC000100141333 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1C(=O)CC1CC1 ZINC000100141451 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1C(=O)CC1CC1 ZINC000100141453 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1CCC ZINC000100141741 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1CCC ZINC000100141744 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC)[C@@H](C(=O)NCC(F)(F)F)[C@@H]1CO ZINC000100141796 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC(F)(F)F)N(CC)[C@@H]21 ZINC000100141798 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC2CC2)[C@@H](C(=O)NCC)[C@@H]1CO ZINC000100142986 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)N(C(=O)CC3CC3)[C@@H]21 ZINC000100142988 GD Annotated Anodyne COc1nc(NC[C@@H]2CCCO2)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 ZINC000100146604 GD Annotated Anodyne N[C@H](C=O)Cc1c(C2=CC(=O)C(=O)c3[nH]cc(CCC=O)c32)[nH]c2ccccc12 ZINC000100192867 GD Annotated Mild in-vitro N[C@@H](C=O)Cc1c(C2=CC(=O)C(=O)c3[nH]cc(CCC=O)c32)[nH]c2ccccc12 ZINC000100192872 GD Annotated Mild in-vitro COC(=O)CSC1=N[P@](=S)(SCC(=O)OC)Nc2[nH]nc(C)c21 ZINC000100210858 GD Annotated Reactive CN1N=C(C(F)(F)F)/C(=C\Nc2ccc(S(=O)(=O)N(C)C)cc2)C1=O ZINC000100257841 GD Annotated Clean C/C=C/[C@@H]1[C@H]2OC3=C(C(=O)O[C@]3(C)O)C(=O)[C@@]1(C)[C@H]1C[C@@H](O)[C@@H](C)C[C@H]1[C@H]2O ZINC000100267003 GD Annotated Mild C/C=C/[C@H]1[C@H]2OC3=C(C(=O)O[C@]3(C)O)C(=O)[C@@]1(C)[C@H]1C[C@@H](O)[C@@H](C)C[C@H]1[C@H]2O ZINC000100267006 GD Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccn2)[C@@H]1C(=O)c1cccs1 ZINC000100270006 GD Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccn2)[C@@H]1C(=O)c1cccs1 ZINC000100270010 GD Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccn2)[C@H]1C(=O)c1cccs1 ZINC000100270013 GD Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccn2)[C@H]1C(=O)c1cccs1 ZINC000100270018 GD Annotated Anodyne COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000100282778 GD Annotated Reactive O=C(O)[C@H]1C2C[C@H]3C[C@H](C2)CC1(n1ncc(N2CCOCC2)c(Cl)c1=O)C3 ZINC000100302758 GD Annotated Anodyne O=C(O)[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(n1ncc(N2CCOCC2)c(Cl)c1=O)C3 ZINC000100302763 GD Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000100306793 GD Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000100306796 GD Annotated Anodyne CC(=O)CC(=O)c1c(CC(=O)O)cc2c(c1O)C(=O)c1c(O)cccc1C2=O ZINC000100307770 GD Annotated Clean in-vitro CCCN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000100319243 GD Annotated Anodyne CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1ccc(S(N)(=O)=O)cc1 ZINC000100326983 GD Annotated Mild CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1ccc(S(N)(=O)=O)cc1 ZINC000100326987 GD Annotated Mild CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@@H]1[C@H](C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000100383552 GD Annotated Anodyne O=C(CCSSc1ccccn1)NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12 ZINC000100396972 GD Annotated Reactive Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1N=O ZINC000100498198 GD Annotated Mild CCOC(=O)/C(C#N)=c1\s/c(=C2\C=Cc3ccccc3N2CC)c(=O)n1CC ZINC000100508679 GD Annotated Mild COc1cc(/C=C/C2=NC(N)=N/C(=C3/C=CC=CC3=O)N2)cc(OC)c1OC ZINC000100519237 GD Annotated Mild CCN(CC)S(=O)(=O)c1ccc(NN/C(C)=C2\C=CC(OC)=CC2=O)nc1 ZINC000100528314 GD Annotated Mild CS(=O)(=O)Nc1ccc(-c2cc(/C=C3\SC(N)=NC3=O)c[nH]c2=O)cc1 ZINC000100536402 GD Annotated Clean O=C1C=CC(Br)=C/C1=c1\[nH]c2n(\c1=N/C1CCCCC1)C=CNC=2 ZINC000100537080 GD Annotated Mild CC1=NN(c2ccccc2)C(=O)/C1=C/NNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000100541586 GD Annotated Reactive CC1=C(C#N)C(=O)NC(=O)/C1=N\Nc1ccc(Br)cc1C(=O)O ZINC000100544188 GD Annotated Reactive CC1=NN(c2ccccc2)C(=O)/C1=C/NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000100547243 GD Annotated Reactive CC1=NN(c2ccccc2)C(=O)/C1=C/NNC(=O)[C@H]1COc2ccccc2O1 ZINC000100547247 GD Annotated Reactive COC(=O)Cc1c(C)nc2nc(NCc3cccc(OC)c3OC)nn2c1O ZINC000100695360 GD Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@@](C2)([C@@H]1O)[C@@]1(O)OC[C@]32CCC[C@@](C)(COC(C)=O)[C@H]2[C@@H]1O ZINC000100777680 GD Annotated Mild C=C1[C@H](O)[C@@]23C[C@H]1CC[C@H]2[C@@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781468 GD Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@H]1CC[C@H]2[C@@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781469 GD Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@H]1CC[C@H]2[C@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781471 GD Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@H]1CC[C@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781474 GD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781583 GD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781586 GD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781589 GD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)[C@H](O)C[C@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781594 GD Annotated Mild in-man endogenous C=C1[C@@H](O)[C@@H](O)[C@@H]2[C@@]3(C)C(=O)C(OC)=C[C@@H](C)[C@@H]3C[C@@H]3OC(=O)C[C@H]1[C@]32C ZINC000100783163 GD Annotated Mild in-man endogenous C=C1C(=O)O[C@@H]2[C@H]1C[C@H](O)[C@](C)(OC(=O)/C(C)=C/C)[C@]13C=C[C@](C)(OO1)[C@@H]23 ZINC000100783178 GD Annotated Reactive in-man endogenous C=C1C(=O)O[C@@H]2[C@H]1C[C@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@]13C=C[C@](C)(OO1)[C@@H]23 ZINC000100783180 GD Annotated Reactive in-man endogenous C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@](C)(OC(=O)/C(C)=C/C)[C@]13C=C[C@](C)(OO1)[C@@H]23 ZINC000100783181 GD Annotated Reactive in-man endogenous C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@]13C=C[C@](C)(OO1)[C@@H]23 ZINC000100783183 GD Annotated Reactive in-man endogenous C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]12C ZINC000100783992 GD Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]12C ZINC000100783994 GD Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]12C ZINC000100783998 GD Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]12C ZINC000100784000 GD Annotated Anodyne in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784003 GD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)C[C@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784004 GD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)C[C@@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784007 GD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784008 GD Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784046 GD Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784048 GD Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784050 GD Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784052 GD Annotated Mild in-man endogenous C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](O)[C@@H]1CC(=O)C(C)=C([C@@H](O)[C@@H]2OC(C)=O)C1(C)C ZINC000100793835 GD Annotated Mild in-vitro biogenic COc1cc(N2C(=O)[C@H](OC(C)=O)[C@@H]2c2ccc(N)o2)cc(OC)c1OC ZINC000100815110 GD Annotated Anodyne COc1cc(N2C(=O)[C@@H](OC(C)=O)[C@@H]2c2ccc(N)o2)cc(OC)c1OC ZINC000100815111 GD Annotated Anodyne COc1cc(N2C(=O)[C@H](OC(C)=O)[C@H]2c2ccc(N)o2)cc(OC)c1OC ZINC000100815114 GD Annotated Anodyne COc1cc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ccc(N)o2)cc(OC)c1OC ZINC000100815116 GD Annotated Anodyne CN[P@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl ZINC000100815356 GD Annotated Reactive C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1/C(=N\C#N)Oc1ccccc1 ZINC000100842693 GD Annotated Mild COc1c(N2C[C@H]3[C@H](N)[C@H]3C2)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O ZINC000100847358 GD Annotated Anodyne COc1c(N2C[C@H]3[C@H](N)[C@H]3C2)c(F)cc2c1N(C1CC1)C[C@H](C(=O)O)C2=O ZINC000100847361 GD Annotated Anodyne O=C(O)CCCO/N=C1\c2ccccc2-c2nc(O)c3nc(C(=O)O)cn3c21 ZINC000100884057 GD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@@](C)(OO1)[C@H]23 ZINC000100891871 GD Annotated Reactive CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]1[C@H]([C@@H](O)[C@@H]32)[C@@]1(O)CC[C@H]2C[C@@H]4[C@@H]1C(=O)O2 ZINC000100899188 GD Annotated Anodyne in-vitro Cc1ccc(Cn2/c(=N\NCC(=O)O)n(C(=O)C(=O)O)c3ccccc32)cc1 ZINC000100900179 GD Annotated Anodyne CCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)SC ZINC000100901059 GD Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@H](C(=O)NC2CCCCCC2)[C@@H]3C1=O ZINC000100928593 GD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@H](C(=O)NC2CCCCCC2)[C@@H]3C1=O ZINC000100928595 GD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000100949333 GD Annotated Anodyne COC(=O)[C@H](CCO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)NC(=O)[C@@H](N)CC(=O)O ZINC000100986110 GD Annotated Anodyne CN(C(=O)c1c(O)c2cc(S(C)(=O)=O)ccc2n(C)c1=O)c1ccccc1 ZINC000100990958 GD Annotated Anodyne CCOC(=O)C1CCN(c2c(Nc3ccc4c(c3)OCCO4)c(=O)c2=O)CC1 ZINC000100996691 GD Annotated Anodyne O=C1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)CCN1 ZINC000100999536 GD Annotated Anodyne N#Cc1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n+](=O)c2ccccc2n1O ZINC000101001750 GD Annotated Anodyne CCc1c(O)n(-c2ccccc2)c(SCC(=O)N2CCOCC2)nc1=O ZINC000101001870 GD Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@H](CSc4cccc(Cl)c4)[C@H](O)[C@@H]3O)cnc1-2 ZINC000101008244 GD Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@@H](CSc4cccc(Cl)c4)[C@H](O)[C@@H]3O)cnc1-2 ZINC000101008246 GD Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@H](CSc4cccc(Cl)c4)[C@@H](O)[C@@H]3O)cnc1-2 ZINC000101008248 GD Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@@H](CSc4cccc(Cl)c4)[C@@H](O)[C@@H]3O)cnc1-2 ZINC000101008249 GD Annotated Anodyne CN1C(=O)[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)[C@H]21 ZINC000101010694 GD Annotated Bother CN1C(=O)[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)[C@H]21 ZINC000101010699 GD Annotated Bother Cc1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H](O)[C@H]4O)[C@H]3C2=O)ccc1Br ZINC000101027443 GD Annotated Anodyne Cc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H](O)[C@H]4O)[C@H]3C2=O)ccc1Br ZINC000101027444 GD Annotated Anodyne CCOC(=O)C(=O)NCc1ccc(/C=C2/N=C(C)C(C(=O)OCC)=C2O)o1 ZINC000101030782 GD Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1CCCO ZINC000101034717 GD Annotated Anodyne COCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101036507 GD Annotated Anodyne CCC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101037328 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(C(N)=O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101038091 GD Annotated Anodyne COC(=O)N1C[C@H]2[C@H](c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)[C@H]2C1 ZINC000101038376 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101039501 GD Annotated Anodyne COc1cc2c(c(OC)c1OC)[n+]([O-])c1c(=O)nc(-c3ccccc3)nc-1n2C ZINC000101081721 GD Annotated Bother O=C1C[C@@H](n2nnn(-c3ccc(OC(F)(F)F)cc3)c2=S)[C@@H]2CO[C@@H]1O2 ZINC000101082188 GD Annotated Anodyne O=C1C[C@H](n2nnn(-c3ccc(OC(F)(F)F)cc3)c2=S)[C@@H]2CO[C@@H]1O2 ZINC000101082191 GD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](OC(C)=O)[C@@H]1C(C)(C)C=CC2=O ZINC000101085934 GD Annotated Mild C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@H]12)[C@H](O)CO ZINC000101126125 GD Annotated Anodyne Cc1nnc(C(=O)[C@@H]2CCCN2C(=O)CNC23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)o1 ZINC000101134658 GD Annotated Anodyne Cc1nnc(C(=O)[C@@H]2CCCN2C(=O)CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)o1 ZINC000101134670 GD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@@H]32)[C@@H]14 ZINC000101175726 GD Annotated Anodyne CC1=C(NCc2ccco2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]1N[C@H]31 ZINC000101201704 GD Annotated Mild CC1=C(NCc2ccco2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1N[C@@H]31 ZINC000101201712 GD Annotated Mild CCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(C(C)=O)cc2)c(=O)n1CC ZINC000101204993 GD Annotated Mild CC1(C)C([C@@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]21 ZINC000101225239 GD Annotated Anodyne CC1(C)C([C@@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]21 ZINC000101225243 GD Annotated Anodyne CC1(C)C([C@@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@@H](O)[C@@H](O)[C@H](O)[C@H]21 ZINC000101225248 GD Annotated Anodyne CC1(C)C([C@@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]21 ZINC000101225252 GD Annotated Anodyne COc1c(N2C[C@H]3[C@H](CN)[C@H]3C2)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O ZINC000101262975 GD Annotated Anodyne COc1c(N2C[C@H]3[C@H](CN)[C@H]3C2)c(F)cc2c1N(C1CC1)C[C@H](C(=O)O)C2=O ZINC000101262977 GD Annotated Anodyne Cn1c(CO[P@](N)(=O)N(CCCl)CCCl)nc2c1C(=O)C=CC2=O ZINC000101267725 GD Annotated Reactive CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1/C(=N/O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000101331896 GD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1/C(=N/O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000101331898 GD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 ZINC000101340120 GD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 ZINC000101340125 GD Annotated Anodyne CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@@H]12 ZINC000101357457 GD Annotated Anodyne CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@@H]12 ZINC000101357459 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)c(F)c2)C(=O)O1 ZINC000101363681 GD Annotated Anodyne CCC(=O)NC[C@H]1CN(c2cc(F)c(N3C[C@H]4[C@H](N)[C@H]4C3)c(F)c2)C(=O)O1 ZINC000101372153 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)c(F)c2)C(=O)O1 ZINC000101374609 GD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(OC(C)=O)[C@@H](O)[C@@H]1C(C)(C)C=CC2=O ZINC000101392613 GD Annotated Mild Cc1nc2c(c3c1C(=O)C(Nc1ccccc1F)=CC3=O)c(=O)n(C)c(=O)n2C ZINC000101402432 GD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(CCC#N)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101407639 GD Annotated Mild CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCCCC2)[C@@H]3C1=O ZINC000101411487 GD Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@@H]3C1=O ZINC000101411623 GD Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(F)c(C)c2)[C@@H]3C1=O ZINC000101411672 GD Annotated Anodyne O=C(NO)c1cnc(N2C[C@H]3[C@H](NCc4ccc5cc(F)ccc5n4)[C@H]3C2)nc1 ZINC000101424935 GD Annotated Anodyne O=C(O)[C@H]1SCCN1S(=O)(=O)c1ccc(/N=N\N2CCOCC2)cc1 ZINC000101461266 GD Annotated Clean CCOC(=O)c1cccc2c1[C@H](/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000101478418 GD Annotated Mild CCOC(=O)c1cccc2c1[C@@H](/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000101478421 GD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(CCF)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101483568 GD Annotated Anodyne O[C@@H]1CC[C@@H](Nc2ncc3nnn(C45C[C@@H]6C[C@@H](CC(O)(C6)C4)C5)c3n2)CC1 ZINC000101496861 GD Annotated Anodyne O[C@@H]1CC[C@@H](Nc2ncc3nnn(C45C[C@@H]6C[C@H](CC(O)(C6)C4)C5)c3n2)CC1 ZINC000101496865 GD Annotated Anodyne O[C@@H]1CC[C@@H](Nc2ncc3nnn(C45C[C@H]6C[C@@H](CC(O)(C6)C4)C5)c3n2)CC1 ZINC000101496868 GD Annotated Anodyne CCOC(=O)N1CCN(c2c(NCc3ccc(N(C)C)cc3)c(=O)c2=O)CC1 ZINC000101536266 GD Annotated Clean CN1C(=O)[C@@]2(C[C@H]3C(=O)N[C@@]2(C)c2nc4ccccc4c(=O)n23)c2ccccc21 ZINC000101543801 GD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@@]12CO[C@@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O ZINC000101563118 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000101569818 GD Annotated Mild CN1C(=O)[C@]2(C[C@H]3C(=O)N[C@@]2(C)c2nc4ccccc4c(=O)n23)c2ccccc21 ZINC000101583162 GD Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(NC2COC2)nc1C1CC1 ZINC000101584655 GD Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(NC2COC2)nc1C1CC1 ZINC000101584660 GD Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(NC2COC2)nc1C1CC1 ZINC000101584668 GD Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC2COC2)nc1C1CC1 ZINC000101584674 GD Annotated Anodyne O=C(/C=C/c1ccc2c(n1)C(=O)C1=C(NCCS1(=O)=O)C2=O)c1ccccc1 ZINC000101639414 GD Annotated Mild COc1cc(-n2nnn([C@@H]3CC(=O)[C@@H]4OC[C@@H]3O4)c2=S)c(OC)cc1Cl ZINC000101641065 GD Annotated Anodyne COc1cc(-n2nnn([C@H]3CC(=O)[C@@H]4OC[C@@H]3O4)c2=S)c(OC)cc1Cl ZINC000101641068 GD Annotated Anodyne O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1C[C@]3(C=C(Br)[C@@H]1O)CCN2 ZINC000101668960 GD Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@H]1C[C@@]3(C=C(Br)[C@@H]1O)CCN2 ZINC000101668964 GD Annotated Mild CO[C@@H]1C(=O)C[C@]23CC(=O)N(C)[C@@]24C[C@@H](O[C@]14OC)c1cc2c(cc13)OCO2 ZINC000101679359 GD Annotated Anodyne CN1C(=O)[C@@H]2C[C@]3(C(=O)Nc4ccccc43)[C@]1(C)c1nc3ccccc3c(=O)n12 ZINC000101682554 GD Annotated Anodyne CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/CCN1CCNCC1 ZINC000101689147 GD Annotated Mild C=C(C)[C@@H]1C[C@H]2O[C@](O)(C/C(C)=C\C(=O)/C=C(/C)C[C@@H]3OC(=O)[C@]24O[C@@H]34)[C@H]1O ZINC000101695041 GD Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@]3(O)OC2 ZINC000101703007 GD Annotated Mild C[C@@]12NC(=O)[C@H](C[C@]13C(=O)Nc1ccccc13)n1c2nc2ccc(F)cc2c1=O ZINC000101710610 GD Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(C#N)c(NC(=O)c1ccccc1OC(C)=O)[n+]2[O-] ZINC000101729842 GD Annotated Mild O=C(COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)NC(=O)NCc1ccco1 ZINC000101733197 GD Annotated Anodyne CC(=O)Oc1ccccc1C(=O)Nc1c(C#N)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] ZINC000101733945 GD Annotated Mild Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc(S(=O)(=O)NC(N)=O)cc1 ZINC000101739092 GD Annotated Mild Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc(S(=O)(=O)N=C(N)N)cc1 ZINC000101739453 GD Annotated Mild COc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCNCC3)=C(O)C2)cc1OC ZINC000101832891 GD Annotated Mild C=C1C(=O)[C@]23C[C@@]1(OC)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000101836018 GD Annotated Mild CCC(=O)N1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101857898 GD Annotated Anodyne CCC(=O)N1C[C@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101857908 GD Annotated Anodyne CC(=O)N1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101864412 GD Annotated Anodyne CC(=O)N1C[C@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101864421 GD Annotated Anodyne C=C1C(=O)[C@]23C[C@@]1(Cl)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000101870305 GD Annotated Mild Cc1ccc(N2CCN(CCn3nc(C)c(-c4ccn[nH]4)c(N)c3=O)CC2)cc1 ZINC000101876709 GD Annotated Anodyne [N-]=[N+]=Nc1ccc(-c2cn3c(=O)c4ncn([C@H]5CO[C@@H](CO)O5)c4nc3[nH]2)cc1 ZINC000101877854 GD Annotated Mild CN(C)/C=N/S(=O)(=O)c1ccc(N2C(=O)/C(=C\N(C)C)SC2=S)cc1 ZINC000101882598 GD Annotated Mild [N-]=[N+]=N[C@H]1C[C@H](n2cnc3c(=O)n4cc(-c5ccccc5)[nH]c4nc32)O[C@@H]1CO ZINC000101897980 GD Annotated Clean O=c1c2ncn([C@H]3CO[C@@H](CO)O3)c2nc2[nH]c(-c3ccc(F)cc3F)cn12 ZINC000101906837 GD Annotated Anodyne COC(=O)N1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101911221 GD Annotated Anodyne COC(=O)N1C[C@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101911226 GD Annotated Anodyne O=c1c2ncn([C@H]3CO[C@@H](CO)O3)c2nc2[nH]c(-c3ccc(Cl)cc3)cn12 ZINC000101916404 GD Annotated Anodyne C[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101917131 GD Annotated Anodyne C[C@@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101917135 GD Annotated Anodyne C[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101917137 GD Annotated Anodyne C[C@@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101917140 GD Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CC/N=c2/c(N3CCCC3)c(O)c2=O)cc1 ZINC000101959690 GD Annotated Anodyne COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)NCCO)(C2)[C@H]13 ZINC000101972596 GD Annotated Anodyne CC[N+](CC)(CC)CCCNC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C ZINC000101991328 GD Annotated Bother Cc1cc(C)n(NC(=O)C(=O)CC(=O)c2cc3ccccc3o2)c(=O)c1C#N ZINC000102001647 GD Annotated Mild CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@@H]3C1=O ZINC000102017499 GD Annotated Anodyne CC(=O)O[C@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N+]13[O-] ZINC000102041688 GD Annotated Bother CC(=O)O[C@H]1[C@@H]2[C@@H]3C[C@H]4C5=[N+]([O-])c6ccccc6[C@]51C[C@@H]2[N+]4([O-])[C@@H](C)[C@@H]3C(=O)O ZINC000102041694 GD Annotated Bother COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/CO ZINC000102045687 GD Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/CO ZINC000102045692 GD Annotated Anodyne CC1=C(C(=O)O)N2[C@H](SC1)[C@H](NC(=O)Cc1ccccc1)[C@@H]2C(=O)S ZINC000102057973 GD Annotated Anodyne CC1=C(C(=O)O)N2[C@H](C(=O)S)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1 ZINC000102057978 GD Annotated Anodyne N=c1c2ncnc(Nc3ccc(F)cc3)c2ncn1NC(=O)c1ccncc1 ZINC000102071624 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)[C@H](O)CC[C@@]5([C@@H](OC)O4)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O ZINC000102077322 GD Annotated Mild N#Cc1ccc(Nc2ncnc3c(=N)n(NC(=O)c4ccncc4)cnc23)cc1 ZINC000102083922 GD Annotated Mild COc1ccc(Nc2ncnc3c(=N)n(NC(=O)c4ccncc4)cnc23)cc1 ZINC000102089075 GD Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NCC[C@@H]1CNCCO1)C=C3C=O ZINC000102163242 GD Annotated Reactive Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NCC[C@H]1CNCCO1)C=C3C=O ZINC000102163246 GD Annotated Reactive C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2O)C1(C)C ZINC000102171506 GD Annotated Mild in-vitro biogenic C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](O)[C@@H]2O)C1(C)C ZINC000102198957 GD Annotated Mild CC1(C)[C@@H](OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccco2)[C@]2(C)CC[C@@H]1C2 ZINC000102215145 GD Annotated Anodyne CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000102215154 GD Annotated Anodyne CC(=O)O[C@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+](C)c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N+]13[O-] ZINC000102227378 GD Annotated Bother CC(=O)O[C@H]1[C@@H]2[C@@H]3C[C@H]4C5=[N+](C)c6ccccc6[C@]51C[C@@H]2[N+]4([O-])[C@@H](C)[C@@H]3C(=O)O ZINC000102227383 GD Annotated Bother C[C@@]12NC(=O)[C@H](C[C@@]13C(=O)Nc1ccccc13)n1c2nc2ccc(F)cc2c1=O ZINC000102228416 GD Annotated Anodyne Cc1nc2c(c3c1C(=O)C(NC1CCCCC1)=CC3=O)c(=O)n(C)c(=O)n2C ZINC000102263250 GD Annotated Mild Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)C(Nc1ccccc1F)=CC3=O ZINC000102263271 GD Annotated Mild Cc1cc(C(=O)O[C@H]2[C@H](C)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@]23O4)cc([N+](=O)[O-])c1 ZINC000102322124 GD Annotated Bother CCCCN(CC)CC/N=c1/c(O)c(O)/c1=N/C1CCN(C(=O)OCC)CC1 ZINC000102354390 GD Annotated Anodyne aggregator CCCN(CCC)CC/N=c1\c(O)c(O)\c1=N/C1CCN(C(=O)OCC)CC1 ZINC000102387810 GD Annotated Anodyne O=C1[C@H]2CC=C3[C@@H]([C@H](O)[C@H]4O[C@@H]4C34OCCCO4)[C@H]2C(=O)N1Cc1ccccc1 ZINC000102389248 GD Annotated Anodyne C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000102389733 GD Annotated Mild CCN1C(=O)[C@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102423823 GD Annotated Mild Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NCCN1CCOCC1)C=C3C=O ZINC000102434432 GD Annotated Reactive COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)/C(=N\NC(C)=O)c2ccccc21 ZINC000102580905 GD Annotated Reactive COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)/C(=N\NC(C)=O)c2ccccc21 ZINC000102580909 GD Annotated Reactive CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N/CCCN(CC)CC)CC1 ZINC000102685710 GD Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccn2)/C1=C(/O)c1ccccc1 ZINC000102718488 GD Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccn2)/C1=C(/O)c1ccccc1 ZINC000102718490 GD Annotated Mild CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@@H]1[C@@H](C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000102793510 GD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O ZINC000102793513 GD Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1CC(C2C(=O)NC(=O)NC2=O)=NN1 ZINC000102828446 GD Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1CC(C2C(=O)NC(=O)NC2=O)=NN1 ZINC000102828447 GD Annotated Anodyne CCN1C(=O)[C@H]2CC[C@@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102845350 GD Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)C1C(=O)NC(=S)NC1=O ZINC000102887234 GD Annotated Mild COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CN1C ZINC000102897113 GD Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2CN1C ZINC000102928539 GD Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2CN1C ZINC000102930590 GD Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1 ZINC000102930995 GD Annotated Anodyne CCOC(=O)/C(C(N)=O)=C(O)/C(O)=C(\Br)C(=O)c1ccccc1 ZINC000102933929 GD Annotated Mild O=C(O)CCCN/C(=C1\C(=O)C(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000102935036 GD Annotated Mild CC1(C)CNC(=O)[C@@]2(/C=N/C(C)(C)CNC(=O)[C@@]3(/C=N/1)CCCO3)CCCO2 ZINC000102937460 GD Annotated Anodyne CC1=N[C@]2(C(=O)O)[C@]3(C(=O)O)N=C(C)O[C@@]3(C(F)(F)F)[C@@]2(C(F)(F)F)O1 ZINC000102941119 GD Annotated Anodyne CCCN1C(=O)/C(=C(/O)C(=O)OCC)[C@@H](c2ccc(OC)c(OC)c2)C1=O ZINC000102941892 GD Annotated Anodyne CC1=NNC(=O)[C@@H]1[C@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@H]1Br ZINC000102957747 GD Annotated Anodyne CC1=NNC(=O)[C@@H]1[C@@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@H]1Br ZINC000102957751 GD Annotated Anodyne COc1ccc(NC(=O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)/C2=N/O)cc1 ZINC000102965640 GD Annotated Mild COc1ccc(NC(=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)/C2=N/O)cc1 ZINC000102965641 GD Annotated Mild CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc3ccccc23)[nH]c1=O ZINC000102972929 GD Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc3cccnc23)[nH]c1=O ZINC000102973605 GD Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc3cnccc23)[nH]c1=O ZINC000102973606 GD Annotated Anodyne C=CCc1ccccc1[C@H]1C[C@]2(C(=O)OC)O[C@@H]1C(C(=O)OC)=C2C(=O)OC ZINC000102982721 GD Annotated Mild C=CCc1ccccc1[C@@H]1C[C@]2(C(=O)OC)O[C@@H]1C(C(=O)OC)=C2C(=O)OC ZINC000102982725 GD Annotated Mild C=CCOC(=O)[C@@H]1[C@@H]2O[C@@]3(C(C(=O)OC)=C2C(=O)OC)c2ccccc2CC[C@@H]13 ZINC000102983358 GD Annotated Mild C=CCn1c(-c2ccccc2)cs/c1=N\C(P(=O)(O)O)P(=O)(O)O ZINC000102986466 GD Annotated Mild CSCC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000103004959 GD Annotated Clean CSCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000103004961 GD Annotated Clean COc1nc(NC[C@H]2CCCO2)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 ZINC000103006759 GD Annotated Anodyne CCn1c(-c2ccccc2)cs/c1=N\C(P(=O)(O)O)P(=O)(O)O ZINC000103015710 GD Annotated Anodyne O=C1COCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(COC1=O)N2 ZINC000103019685 GD Annotated Mild CC1(C)[C@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000103020512 GD Annotated Anodyne C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)C=C(NCc1ccccc1)C3=O ZINC000103029706 GD Annotated Mild CC(C)(C)[C@]12C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](Cl)[C@@]34[C@@]13COC(=O)[C@@H]3O)O2 ZINC000103041031 GD Annotated Reactive O=S1(=O)C[C@@H](N2CC=CC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000103055073 GD Annotated Anodyne O=S1(=O)C[C@H](N2CC=CC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000103055077 GD Annotated Anodyne CC(C)(C)[C@@]12C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](Cl)[C@@]34[C@@]13COC(=O)[C@H]3O)O2 ZINC000103106276 GD Annotated Reactive CC(C)(C)[C@@]12C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](Cl)[C@@]34[C@]13COC(=O)[C@H]3O)O2 ZINC000103106286 GD Annotated Reactive COC(=O)N1c2ccccc2[C@@]23[C@H]4N5CCC[C@]46CC[C@@]12[C@](O)(C6)C(=O)[C@H]3C5 ZINC000103108297 GD Annotated Anodyne CCN1C[C@@]2(C)CC[C@H](O)[C@]34[C@@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000103109037 GD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@@H]1[C@H](C[C@H]32)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@H]1[C@@H]2O ZINC000103109283 GD Annotated Anodyne CCN1C[C@]2(C)CC[C@@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000103109294 GD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@H]2C[C@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@H]1[C@H]2O ZINC000103110270 GD Annotated Anodyne COC(=O)[C@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000103117356 GD Annotated Bother COC(=O)[C@@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000103117357 GD Annotated Bother O=C(O)[C@H](CS)Nc1c(N2CCC(CCC3CCNCC3)CC2)c(=O)c1=O ZINC000103130307 GD Annotated Mild Cc1cc2c(cc1C)[n+]([O-])c(NC(=O)c1ccc([N+](=O)[O-])s1)c(C#N)[n+]2[O-] ZINC000103147702 GD Annotated Mild COc1ccc2c(c1)[n+]([O-])c(C#N)c(NC(=O)c1ccc([N+](=O)[O-])s1)[n+]2[O-] ZINC000103147704 GD Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000103147706 GD Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+]([O-])c2ccc(F)cc2[n+]1[O-] ZINC000103147710 GD Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000103147714 GD Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000103147739 GD Annotated Mild CCN1CCN(c2nc3sc4cc(Cl)ccc4n3c(=O)c2C(N)=O)CC1 ZINC000103166695 GD Annotated Anodyne Cc1nn(Cc2nnc(S)n2-c2ccccc2)c(=O)n1/N=C/c1ccncc1 ZINC000103168476 GD Annotated Mild COc1cccc2c1C(=O)C(NCCOC(=O)CCCNC(C)=O)=C(C)C2=O ZINC000103174899 GD Annotated Mild C/C(CC(=O)c1ccccc1)=N\[C@@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1 ZINC000103174984 GD Annotated Reactive C/C(CC(=O)c1ccccc1)=N\[C@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1 ZINC000103174987 GD Annotated Reactive COc1cc(OC)nc([C@@H](O)c2ccc(C)cc2NS(=O)(=O)C(F)F)n1 ZINC000103176335 GD Annotated Anodyne COc1cc(OC)nc([C@H](O)c2ccc(C)cc2NS(=O)(=O)C(F)F)n1 ZINC000103176336 GD Annotated Anodyne CC(C)C[C@@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N2CCCC2)n1 ZINC000103176641 GD Annotated Anodyne CC(C)C[C@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N2CCCC2)n1 ZINC000103176644 GD Annotated Anodyne CCc1c(Sc2cc(Cl)cc(Cl)c2)n(OCCO)c(=O)[nH]c1=O ZINC000103176908 GD Annotated Anodyne CCC#CCOc1ccc(CCNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC ZINC000103182364 GD Annotated Mild C[C@@H]1CC[C@H]2[C@@](C)(C(=O)N3CCN(C)CC3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103194248 GD Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(C(=O)N3CCN(C)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103194250 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@H]2c2ccc(O)cc2)CC1 ZINC000103195417 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@@H]2c2ccc(O)cc2)CC1 ZINC000103195419 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@H]2c2ccc(O)cc2)CC1 ZINC000103195421 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@@H]2c2ccc(O)cc2)CC1 ZINC000103195423 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@H]2c2ccccc2O)CC1 ZINC000103196958 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2O)CC1 ZINC000103196961 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@H]2c2ccccc2O)CC1 ZINC000103196962 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@@H]2c2ccccc2O)CC1 ZINC000103196964 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@H]2c2cccc(O)c2)CC1 ZINC000103196966 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@@H]2c2cccc(O)c2)CC1 ZINC000103196968 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@H]2c2cccc(O)c2)CC1 ZINC000103196969 GD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@@H]2c2cccc(O)c2)CC1 ZINC000103196972 GD Annotated Reactive COc1ccc(C(=O)Oc2ccc(C[C@H]3NC(=S)NC3=O)cc2)c(OC)c1 ZINC000103199615 GD Annotated Anodyne COc1ccc(C(=O)Oc2ccc(C[C@@H]3NC(=S)NC3=O)cc2)c(OC)c1 ZINC000103199616 GD Annotated Anodyne COc1cccc(C(=O)Oc2ccc(C[C@H]3NC(=S)NC3=O)cc2)c1OC ZINC000103199619 GD Annotated Anodyne COc1cccc(C(=O)Oc2ccc(C[C@@H]3NC(=S)NC3=O)cc2)c1OC ZINC000103199621 GD Annotated Anodyne Cc1ccc2occ([C@@H]3CC(C4C(=O)N(C)C(=O)N(C)C4=O)=NN3)c(=O)c2c1 ZINC000103202603 GD Annotated Anodyne Cc1ccc2occ([C@H]3CC(C4C(=O)N(C)C(=O)N(C)C4=O)=NN3)c(=O)c2c1 ZINC000103202606 GD Annotated Anodyne Cc1nnc(NC(=O)[C@@H]2CCCN2C(=O)N(CCC(C)C)CC(=O)NO)s1 ZINC000103204150 GD Annotated Bother Cc1cnc(NC(=O)[C@@H]2CCCN2C(=O)N(CCC(C)C)CC(=O)NO)s1 ZINC000103205459 GD Annotated Bother N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@@H]1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000103210955 GD Annotated Reactive N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000103210957 GD Annotated Reactive CN(C)c1ccc(/C=N/[C@@H]2C(C#N)=C3CCCN3[C@]2(O)N2CCOCC2)cc1 ZINC000103210967 GD Annotated Reactive CN(C)c1ccc(/C=N/[C@H]2C(C#N)=C3CCCN3[C@]2(O)N2CCOCC2)cc1 ZINC000103210969 GD Annotated Reactive CC(C)NC(=O)c1onc(CS(=O)(=O)c2ccccc2)c1C(=O)NC(C)C ZINC000103211333 GD Annotated Anodyne CCCNC(=O)c1onc(CS(=O)(=O)c2ccccc2)c1C(=O)NCCC ZINC000103211337 GD Annotated Anodyne C=CCNC(=O)c1onc(CS(=O)(=O)c2ccccc2)c1C(=O)NCC=C ZINC000103211342 GD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000103212315 GD Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCC(=O)OC)CN1C ZINC000103219694 GD Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CC(=O)OC)CN1C ZINC000103221019 GD Annotated Anodyne O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1ccccc1Cl ZINC000103225659 GD Annotated Reactive CCOc1ccccc1/C=N/NC(=O)Cn1nnnc1-c1ccc2c(c1)OCO2 ZINC000103225675 GD Annotated Reactive O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1ccccc1[N+](=O)[O-] ZINC000103225680 GD Annotated Reactive O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000103225685 GD Annotated Reactive O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000103225690 GD Annotated Reactive Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(Cl)cc3)c2C)c(N)n1 ZINC000103231844 GD Annotated Reactive Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccccc3Cl)c2C)c(N)n1 ZINC000103231847 GD Annotated Reactive CN1CCN(c2ncnc3c2ncn3[C@H]2C[C@@H]3[C@@H](Cl)C[C@H]2[C@H]3CO)CC1 ZINC000103232008 GD Annotated Reactive O=C(COCc1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)NO ZINC000103233433 GD Annotated Mild NC(=O)NN1C(=O)C(c2c[nH]c3ccccc23)=C(c2n[nH]c3ncccc23)C1=O ZINC000103233922 GD Annotated Anodyne C/C=C/[C@@H]1C=C[C@@H]2C[C@H](CO)CC[C@H]2[C@]1(C)C(=O)C1=C(O)[C@H](CO)N(C)C1=O ZINC000103234090 GD Annotated Mild C/C=C/[C@H]1C=C[C@@H]2C[C@H](CO)CC[C@H]2[C@]1(C)C(=O)C1=C(O)[C@H](CO)N(C)C1=O ZINC000103234092 GD Annotated Mild C/C=C/[C@@H]1C=C[C@@H]2C[C@H](CO)CC[C@H]2[C@]1(C)C(=O)C1=C(O)[C@H](CO)NC1=O ZINC000103234094 GD Annotated Mild O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)CN(CCO)C3=O)s1 ZINC000103234916 GD Annotated Anodyne CC(=O)c1nnn(-c2cnn(-c3ccc(C#N)cc3)c(=O)c2Br)c1C ZINC000103235290 GD Annotated Mild CN1C(=O)C(/C(=N/Nc2ccc(C(=O)O)cc2)c2ccccc2)C(=O)N(C)C1=O ZINC000103235934 GD Annotated Mild COC(=O)c1ccc(CONC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000103236698 GD Annotated Anodyne Cc1cc(O)c([C@@H](c2c(N)n(C)c(=O)n(C)c2=O)C2CCCCC2)c(=O)o1 ZINC000103237763 GD Annotated Anodyne Cc1cc(O)c([C@H](c2c(N)n(C)c(=O)n(C)c2=O)C2CCCCC2)c(=O)o1 ZINC000103237766 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@H](O)C[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000103240321 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000103240324 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000103240327 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000103240343 GD Annotated Mild COC[C@@H]1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000103240353 GD Annotated Anodyne CCOC(=O)C/C(=N\N=C1/NCCN1c1cccc(Cl)c1)C(=O)OCC ZINC000103247528 GD Annotated Mild CCOC(=O)C/C(=N\N=C1/NCCN1c1ccc(Cl)cc1)C(=O)OCC ZINC000103247530 GD Annotated Mild COc1cc(Cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)nn2)ccc1F ZINC000103247638 GD Annotated Bother COc1ccc(Cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)nn2)cc1F ZINC000103247639 GD Annotated Bother CN(C)CCN(C)CCS(=O)(=O)NCc1ccc(Br)cc1 ZINC000103249060 GD Annotated Anodyne Cc1cc([C@](C)(O)C#Cc2ccc3nc(C)n(-c4ncnc(N)n4)c3c2)no1 ZINC000103249646 GD Annotated Mild Cc1nc2ccc(C#C[C@@](C)(O)c3nccs3)cc2n1-c1ncnc(N)n1 ZINC000103249649 GD Annotated Mild CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(CC)c1=O ZINC000103249914 GD Annotated Anodyne C=CC(=O)Nc1ccnc(Sc2c(C)nc(N3CCN(C)CC3)nc2C)n1 ZINC000103254906 GD Annotated Anodyne CCOC(=O)c1nnn(-c2ccccc2C(F)(F)F)c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256596 GD Annotated Anodyne CCOC(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256631 GD Annotated Anodyne COC(=O)[C@@H]1Cc2cn(cn2)C/C=C/COc2ccc(Cl)c(c2)C(=O)N1 ZINC000103258295 GD Annotated Anodyne O=C(O)/C(=C\c1ccc(O)c(O)c1)[C@@H](c1ccc(O)c(O)c1)[C@H](O)C(=O)O ZINC000103258682 GD Annotated Clean O=C(O)/C(=C\c1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)[C@H](O)C(=O)O ZINC000103258685 GD Annotated Clean O=C(O)/C(=C\c1ccc(O)c(O)c1)[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C(=O)O ZINC000103258688 GD Annotated Clean O=C(O)/C(=C\c1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)[C@@H](O)C(=O)O ZINC000103258690 GD Annotated Clean CCOC(=O)C(C(=O)OCC)N1C(C)=C(C(=O)OC)CC(C(=O)OC)=C1C ZINC000103258817 GD Annotated Anodyne C=C(COC(C)=O)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000103260656 GD Annotated Mild Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000103262824 GD Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n([C@@H](C)C(N)=O)c2s1 ZINC000103263648 GD Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n([C@H](C)C(N)=O)c2s1 ZINC000103263650 GD Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](CO)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265392 GD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]3(C)O[C@H](O[C@H]3CC(=O)C(C)=O)[C@@H](OC(=O)CC(C)C)[C@@H]12 ZINC000103268019 GD Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H](O[C@@H]3CC(=O)C(C)=O)[C@@H](OC(=O)CC(C)C)[C@@H]12 ZINC000103268021 GD Annotated Mild C1=C2CCN3Cc4cc5c(cc4[C@H]([C@H](OC[C@@H]4CO4)[C@H]1OC[C@@H]1CO1)[C@@H]23)OCO5 ZINC000103269003 GD Annotated Anodyne COC(=O)c1nnc(C(=O)OC)c(-c2ccc3c([N+](=O)[O-])c(OC)ccc3n2)n1 ZINC000103269691 GD Annotated Bother COc1ccc2cc3n(c(=O)c2c1OC)C[C@H](O)[C@H](O)c1cc2c(cc1-3)OCO2 ZINC000103278305 GD Annotated Anodyne COc1ccc2cc3n(c(=O)c2c1OC)C[C@@H](O)[C@H](O)c1cc2c(cc1-3)OCO2 ZINC000103278306 GD Annotated Anodyne COc1ccc2cc3n(c(=O)c2c1OC)C[C@H](O)[C@@H](O)c1cc2c(cc1-3)OCO2 ZINC000103278308 GD Annotated Anodyne COc1ccc2cc3n(c(=O)c2c1OC)C[C@@H](O)[C@@H](O)c1cc2c(cc1-3)OCO2 ZINC000103278310 GD Annotated Anodyne CCOP(=O)(CCCCn1cc(Cn2cc(C)c(=O)[nH]c2=O)nn1)OCC ZINC000103281638 GD Annotated Anodyne C=C1C[C@@](Cn2ncc(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000103284281 GD Annotated Mild C=C1C[C@](Cn2ncc(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000103284286 GD Annotated Mild O=C(C[C@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000103284944 GD Annotated Bother O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000103284946 GD Annotated Bother Cc1nc2ccc(S(N)(=O)=O)cc2c2c1C(=O)[C@@H](c1c(C)nn(C)c1C)C2=O ZINC000103285135 GD Annotated Anodyne Cc1nc2ccc(S(N)(=O)=O)cc2c2c1C(=O)[C@H](c1c(C)nn(C)c1C)C2=O ZINC000103285138 GD Annotated Anodyne O=C(C[C@H]1SC(=O)NC1=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])s1 ZINC000103286696 GD Annotated Bother O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])s1 ZINC000103286697 GD Annotated Bother Cc1c(C)[n+]([O-])c2cc(/C=N/NC(=O)NCCc3ccccc3)ccc2[n+]1[O-] ZINC000103288578 GD Annotated Reactive CC(C)(C)c1cc2nc(SCc3[nH]c(=O)[nH]c(=O)c3Cl)[nH]c(=O)n2n1 ZINC000103288891 GD Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@]23COC(=O)[C@H]2C[C@@H](O)C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000103292185 GD Annotated Anodyne C/C=C1/CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@H](O)C(=O)N(c4ccccc42)[C@@H]13 ZINC000103293174 GD Annotated Anodyne O=C(c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)N1CCOCC1 ZINC000103303007 GD Annotated Anodyne CCN1C(=O)/C(=N\NC(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21 ZINC000103461833 GD Annotated Reactive CNC(=N)N1C=C[C@H]2C=C[C@@H]3[C@](O)(C=O)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@@]25C1 ZINC000103524776 GD Annotated Mild in-vitro biogenic CNC(=N)N1C=C[C@@H]2CC[C@@H]3[C@](O)(C=O)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@@]25C1 ZINC000103524788 GD Annotated Mild in-vitro biogenic CNC[C@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23C[C@H](O)C(C(=O)O)=C3C1 ZINC000103524792 GD Annotated Anodyne in-vitro biogenic CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(COC)C(C(=O)O)=C3C1 ZINC000103524822 GD Annotated Anodyne in-vitro biogenic CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@H]3CCC[C@H]4[C@](O)(C=O)C(C(=O)O)=C(C1)[C@@]342 ZINC000103524854 GD Annotated Mild in-vitro biogenic CN/C1=N/CC#C[C@@H]2C[C@@H](C)[C@@]34C[C@H](O)C(C(=O)O)=C3C[C@@H]2[C@]42CC=CN1C2 ZINC000103524913 GD Annotated Mild in-vitro biogenic CNCCNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@H](O)C(C(=O)O)=C3C1 ZINC000103524966 GD Annotated Anodyne in-vitro biogenic COc1ccc2nc3c(O)n(CCC(=O)O)c(SCC(N)=O)nc-3c2c1 ZINC000103531122 GD Annotated Anodyne CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N/Cc2cccc(OC)c2)CC1 ZINC000103533190 GD Annotated Anodyne Cc1ccc2nc3c(O)n(CC(=O)N4CCC5(CC4)OCCO5)ncc-3c2c1 ZINC000103536855 GD Annotated Anodyne Cc1ccc(OC/C(=C\C=O)Nc2cc(C[C@H](N)C(=O)O)c(O)cc2O)cc1 ZINC000103549492 GD Annotated Reactive C[C@@H]1O[C@H](/C=C/C=C/Br)/C=C/[C@H](O)C[C@H](O)[C@@H]2C[C@@H](O)[C@@H]1O2 ZINC000103564717 GD Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)CC[C@]2(C)[C@@H]1C[C@]1(O)C[C@H](O)C(C)=C([C@@H](O)[C@@H]2OC(C)=O)C1(C)C ZINC000103579459 GD Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H]1[C@H]3C(=CCC(=O)N23)[C@H]2C[C@@]13CCN3C/C2=C/CO ZINC000103582014 GD Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)CC[C@@]2(C)[C@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C ZINC000103586404 GD Annotated Mild in-vitro biogenic COc1cccc([C@@H]2C3=C(O)OCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1OC ZINC000103663671 GD Annotated Anodyne COc1cccc([C@H]2C3=C(O)OCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1OC ZINC000103663676 GD Annotated Anodyne Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCOCC4)nc2-3)cc1 ZINC000103693871 GD Annotated Anodyne CCc1nc2nc(C)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)c(=O)n2[nH]1 ZINC000103695813 GD Annotated Anodyne O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCOCC1 ZINC000103702870 GD Annotated Anodyne CC1=c2c(nc(N)c(C#N)/c2=C2/C=CC(=O)C(O)=C2)N(c2ccc(F)cc2)N1 ZINC000103727137 GD Annotated Mild O=C(NCc1ccco1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1 ZINC000103743363 GD Annotated Anodyne O=C(NCc1ccco1)c1nc2n(Cc3cccc(Cl)c3)[nH]nc-2c(=O)n1 ZINC000103743383 GD Annotated Anodyne Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)NC[C@@H]4CCCO4)nc2-3)cc1 ZINC000103778721 GD Annotated Anodyne Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)NC[C@H]4CCCO4)nc2-3)cc1 ZINC000103778726 GD Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)Cn2[nH]cc3c4cc(C)ccc4nc-3c2=O)C1 ZINC000103815697 GD Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)Cn2[nH]cc3c4cc(C)ccc4nc-3c2=O)C1 ZINC000103815700 GD Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1 ZINC000103815906 GD Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1 ZINC000103815911 GD Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(C(=O)NN/C=C2\C=CC=C(O)C2=O)c1 ZINC000103822099 GD Annotated Reactive COC(=O)N1c2ccccc2[C@@]23[C@H]4N5CCC[C@@]46CC[C@@]12[C@@H](O)[C@@H]6C(=O)[C@H]3C5 ZINC000103884490 GD Annotated Anodyne COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(O)=C(C)C(=O)[C@H](O)[C@@]1(C)OC ZINC000103886646 GD Annotated Anodyne COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(O)=C(C)C(=O)[C@@H](O)[C@@]1(C)OC ZINC000103886655 GD Annotated Anodyne CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000103889572 GD Annotated Anodyne C/C(NNc1nc(N2CCCCC2)nc(N2CCOCC2)n1)=C1/C=CC=CC1=O ZINC000103917062 GD Annotated Mild CCOC(=O)CNC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)N1CC ZINC000103917619 GD Annotated Anodyne COc1ccc(CCNC(=O)C2=C/C(=C3/C=C(C)C=CC3=O)NN2)cc1OC ZINC000103917956 GD Annotated Mild COCCN1C(=O)C2=C(/C(=C3\C=CC=CC3=O)NN2)[C@H]1c1ccc(OC)cc1 ZINC000103918406 GD Annotated Mild COCCN1C(=O)C2=C(/C(=C3\C=CC=CC3=O)NN2)[C@@H]1c1ccc(OC)cc1 ZINC000103918410 GD Annotated Mild CN1/C(=C2\C=C(Cl)C=CC2=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000103918510 GD Annotated Mild C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN4CCOCC4)[C@H]3[C@@H]3O[C@]132 ZINC000103949711 GD Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN4CCOCC4)[C@H]3[C@H]3O[C@@]132 ZINC000103949714 GD Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C(=O)NCc4ccco4)nc2-3)c1 ZINC000103954859 GD Annotated Anodyne CCOC(=O)[C@@]1(CCSC)N[C@H](c2ccco2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000103956743 GD Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C(=O)NC[C@@H]4CCCO4)nc2-3)c1 ZINC000103958757 GD Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C(=O)NC[C@H]4CCCO4)nc2-3)c1 ZINC000103958762 GD Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000103960636 GD Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000103961864 GD Annotated Anodyne O=C(O)C[C@@H]1S/C(=N\N/C=C2\C=CC=CC2=O)N(c2ccc(O)cc2)C1=O ZINC000103974560 GD Annotated Mild CC1=NC(=O)NC(=O)/C1=C/NNC(=O)CCCCCNC(=O)OC(C)(C)C ZINC000103981142 GD Annotated Reactive CC1=Nc2ccccc2/C1=C/NNC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000103993486 GD Annotated Reactive CCN(CC)C(=O)CSC1=NNC(=C2C=CC(=O)C=C2)N1C[C@@H]1CCCO1 ZINC000104008674 GD Annotated Mild CCN(CC)C(=O)CSC1=NNC(=C2C=CC(=O)C=C2)N1C[C@H]1CCCO1 ZINC000104008678 GD Annotated Mild CCc1nnc(NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C)s1 ZINC000104008766 GD Annotated Mild CCc1nnc(NC(=O)CSC2=NN/C(=C3/C=CC=CC3=O)N2CC)s1 ZINC000104013039 GD Annotated Mild CN1CCN(C(=O)C2=CNN3C2=N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)CC1 ZINC000104013539 GD Annotated Anodyne CN1CCN(C(=O)C2=CNN3C2=N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)CC1 ZINC000104013545 GD Annotated Anodyne CN1CCN(C(=O)C2=CNN3C2=N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 ZINC000104013551 GD Annotated Anodyne CN1CCN(C(=O)C2=CNN3C2=N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 ZINC000104013556 GD Annotated Anodyne COc1ccc(CCNC(=O)C2=C/C(=C3/C=CC(C)=CC3=O)NN2)cc1OC ZINC000104020392 GD Annotated Mild COC1=CC(=C2NN=C(SCC(=O)NC3CCCC3)N2C)C=C(OC)C1=O ZINC000104024767 GD Annotated Mild COC1=CC=C/C(=C2\N=C(NCCN3CCOCC3)c3ccccc3N2)C1=O ZINC000104029075 GD Annotated Mild O=C(CSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)NC[C@H]1CCCO1 ZINC000104081807 GD Annotated Anodyne O=C(CSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)NC[C@@H]1CCCO1 ZINC000104081811 GD Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000104181737 GD Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000104182637 GD Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@@]23C=C[C@H]1O3 ZINC000104196184 GD Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000104196190 GD Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000104196196 GD Annotated Anodyne O=C(NC[C@H]1CCCO1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1 ZINC000104210974 GD Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1 ZINC000104210979 GD Annotated Anodyne CC1(C)CNC(=O)[C@]2(/C=N\C(C)(C)CNC(=O)[C@]3(/C=N\1)CCCO3)CCCO2 ZINC000104282509 GD Annotated Anodyne CC1(C)CNC(=O)[C@]2(/C=N/C(C)(C)CNC(=O)[C@]3(/C=N\1)CCCO3)CCCO2 ZINC000104282515 GD Annotated Anodyne CC(C)=C1C[C@@]2(O)[C@@H](C[C@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@]32O)C1(C)C ZINC000104351700 GD Annotated Mild in-man CC(C)=C1C[C@@]2(O)[C@@H](C[C@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@@]32O)C1(C)C ZINC000104351705 GD Annotated Mild in-man NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H]([C@H]1C[C@@H]3C=C[C@@H]1C3)NS2(=O)=O ZINC000104352555 GD Annotated Anodyne in-man NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H]([C@@H]1C[C@@H]3C=C[C@@H]1C3)NS2(=O)=O ZINC000104352560 GD Annotated Anodyne in-man C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@](C)(OO1)[C@H]23 ZINC000104378395 GD Annotated Reactive in-man C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@](C)(OO1)[C@H]23 ZINC000104378397 GD Annotated Reactive in-man C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@](C)(OO1)[C@H]23 ZINC000104378399 GD Annotated Reactive in-man C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)[C@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@](C)(OO1)[C@H]23 ZINC000104378401 GD Annotated Reactive in-man CC(C)N1CCC(N2CCN(Cc3cccc4nonc34)C[C@H]2CCO)CC1 ZINC000104380263 GD Annotated Anodyne CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)n2[nH]1 ZINC000104396302 GD Annotated Bother Cc1ccc(CNC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1 ZINC000104437003 GD Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000104470277 GD Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000104470485 GD Annotated Anodyne Cn1ncc(N2CCN(C(=O)[C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]34)CC2)cc1=O ZINC000104644370 GD Annotated Clean C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)OC(C)=O)[C@@H]23 ZINC000104962995 GD Annotated Mild CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000105320180 GD Annotated Anodyne CC1=N[C@@]2(C(=O)O)[C@@]3(C(=O)O)N=C(C)O[C@@]3(C(F)(F)F)[C@]2(C(F)(F)F)O1 ZINC000105471137 GD Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](Nc2ccc(C(C)=O)cc2)[C@@H]1OC(C)=O ZINC000105504694 GD Annotated Anodyne CC(=O)O[C@@H]1[C@@H](Nc2ccc(C(C)=O)cc2)OC[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000105504700 GD Annotated Anodyne COC(=O)C1=CO[C@@H]2O[C@@H]3/C(=C\c4ccc(O)c(OC)c4)C(=O)O[C@]34C=C[C@@H]1[C@@H]24 ZINC000105509697 GD Annotated Anodyne COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NNC(N)=O)[C@H]2C)OCO4)c1O ZINC000105521062 GD Annotated Reactive COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NNC(N)=O)[C@@H]2C)OCO4)c1O ZINC000105521067 GD Annotated Reactive CO[C@@]12CC(O)=C(OC(C)=O)C(=O)[C@]1(C)c1c(O)c(C)c(O)c(C(C)=O)c1O2 ZINC000105570810 GD Annotated Mild O=C1CN(S(=O)(=O)CC(F)(F)F)C[C@@H](O)CN1CCCc1ccccc1 ZINC000105848783 GD Annotated Anodyne O=C1CN(S(=O)(=O)CC(F)(F)F)C[C@H](O)CN1CCCc1ccccc1 ZINC000105848786 GD Annotated Anodyne O=C(O)c1cc(S(=O)(=O)N2C[C@H]3C[C@@H]3[C@H]2C(=O)O)c(Cl)cc1Cl ZINC000106349998 GD Annotated Anodyne NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000106866610 GD Annotated Anodyne NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000106866613 GD Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 ZINC000107369423 GD Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1C ZINC000110692035 GD Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1C ZINC000110692039 GD Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1C ZINC000110692042 GD Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1C ZINC000110692045 GD Annotated Anodyne O=C1C(=O)N(CCCn2ccnc2)[C@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 ZINC000110747521 GD Annotated Anodyne O=C1C(=O)N(CCCn2ccnc2)[C@H](c2cccnc2)[C@H]1C(=O)c1ccco1 ZINC000110747526 GD Annotated Anodyne C[C@@H](CS)C(=O)N1CCC[C@]1(C(=O)O)C(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000111478853 GD Annotated Mild in-vitro C[C@H](CS)C(=O)N1CCC[C@]1(C(=O)O)C(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000111478855 GD Annotated Mild in-vitro NC(=O)c1cc(-c2cnoc2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12 ZINC000113201675 GD Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CCN(C)CC3)n2)cc1 ZINC000113410704 GD Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CCN(C)CC3)n2)cc1 ZINC000113410707 GD Annotated Mild COC(=O)CN(C)c1nccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)n1 ZINC000113414025 GD Annotated Mild COC(=O)CN(C)c1nccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)n1 ZINC000113414027 GD Annotated Mild CS(=O)(=O)Nc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN(C3CCC3)CC2)c1 ZINC000113853934 GD Annotated Anodyne CS(=O)(=O)Nc1cccc([C@H]2C[C@@H]2C(=O)N2CCN(C3CCC3)CC2)c1 ZINC000113853936 GD Annotated Anodyne CS(=O)(=O)Nc1cccc([C@H]2C[C@H]2C(=O)N2CCN(C3CCC3)CC2)c1 ZINC000113853938 GD Annotated Anodyne CC(C)(C)c1ccccc1N1CCN(C(=O)CCC(=O)NS(C)(=O)=O)CC1 ZINC000114273665 GD Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCCN(C)C)cc2s1 ZINC000114397854 GD Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCCCN(C)C)cc2s1 ZINC000114400084 GD Annotated Anodyne c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)nc(N2CCOCC2)n1 ZINC000114771707 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NCCO)n[nH]c2-3)C(=O)O1 ZINC000011524642 GD Annotated Anodyne CCS(=O)(=O)c1ncc(CN(CCO)CCO)n1CCCc1ccccc1 ZINC000011661158 GD Annotated Anodyne NC(=O)CCC(=O)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000011662272 GD Annotated Anodyne NC(=O)CCC(=O)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000011662273 GD Annotated Anodyne COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3CC(C)C)CC2)cc1 ZINC000011662655 GD Annotated Clean COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3CC(C)C)CC2)cc1 ZINC000011662656 GD Annotated Clean COCCn1c(CN(C)Cc2cnn(C)c2)cnc1S(=O)(=O)CCC(C)C ZINC000011663306 GD Annotated Anodyne CCCCn1c(CN(C[C@@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)CC ZINC000011663399 GD Annotated Anodyne CCCCn1c(CN(C[C@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)CC ZINC000011663400 GD Annotated Anodyne CCCc1cc(CN(C)Cc2cnc(S(C)(=O)=O)n2CCCOC)n[nH]1 ZINC000011664501 GD Annotated Anodyne CN(C(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCOC1 ZINC000011839970 GD Annotated Anodyne CN(C(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)[C@H]1CCOC1 ZINC000011839972 GD Annotated Anodyne CCN(CC)C[C@H](O)COc1cc(CNCCn2cccn2)ccc1OC ZINC000011842937 GD Annotated Anodyne CCN(CC)C[C@@H](O)COc1cc(CNCCn2cccn2)ccc1OC ZINC000011842938 GD Annotated Anodyne Cc1cccc(CN2CCN(c3nc4nonc4nc3NC3CC3)CC2=O)c1 ZINC000011843155 GD Annotated Anodyne CS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CO)n1Cc1ccccc1F ZINC000011935196 GD Annotated Anodyne CS(=O)(=O)c1ncc(CN2CCCC[C@H]2CO)n1Cc1ccccc1F ZINC000011935197 GD Annotated Anodyne COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)Cc2ccn[nH]2)CC1 ZINC000011936729 GD Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1nnnc1CN1CCCC1)CC3 ZINC000011996809 GD Annotated Anodyne COc1ccc(OC)c(CNC(=O)Cn2nnnc2CN2CCCCCC2)c1 ZINC000011996913 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC4(COC4)C3)c2c1=O ZINC000115622187 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC[C@@H]3CCCN3)c2c1=O ZINC000115622575 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCNCC4)cc3)nc(NCCCO)c2c1=O ZINC000115622717 GD Annotated Anodyne Cn1cnc2cc(-c3ccc4c(c3)CC(=O)N4)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115622983 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C4(N)CC4)nc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115623311 GD Annotated Anodyne CC(C)Nc1nc(-c2ccc3c(c2)C(=O)C(=O)N3C)cc2ncn(C)c(=O)c12 ZINC000115623370 GD Annotated Anodyne Cn1cnc2cc(-c3cnc(N4CCOCC4)nc3)nc(NC3CC3)c2c1=O ZINC000115623985 GD Annotated Anodyne CC(C)Nc1nc(-c2cnc(N3CCOCC3)nc2)cc2ncn(C)c(=O)c12 ZINC000115624048 GD Annotated Anodyne C[C@H](CO)Nc1nc(-c2ccc(N3CCNCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624058 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@H]3CCOC3)c2c1=O ZINC000115624233 GD Annotated Anodyne CC[C@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115624261 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(OCCO)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624312 GD Annotated Anodyne CNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 ZINC000115624329 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(N)c(S(C)(=O)=O)c3)nc(NC3CC3)c2c1=O ZINC000115624389 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C4CNC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115624532 GD Annotated Anodyne COCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624550 GD Annotated Anodyne COCCNc1nc(-c2ccc(NC(C)=O)c(O)c2)cc2ncn(C)c(=O)c12 ZINC000115624555 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C4(N)CC4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624564 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC(CO)C3)c2c1=O ZINC000115624605 GD Annotated Anodyne CCNS(=O)(=O)c1cccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)c1 ZINC000115624609 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C4(N)CC4)nc3)nc(N[C@@H]3CCCO3)c2c1=O ZINC000115624633 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCCN)c2c1=O ZINC000115624705 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCCCC(=O)O)c2c1=O ZINC000115624710 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC(C)(C)CO)c2c1=O ZINC000115624731 GD Annotated Anodyne C[C@@H](CO)Nc1nc(-c2ccc(N3CCNCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624743 GD Annotated Anodyne CNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 ZINC000115624793 GD Annotated Anodyne CC(=O)N[C@H](C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NCCCO)n2)cc1 ZINC000115624837 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC[C@@H](CO)C3)c2c1=O ZINC000115625058 GD Annotated Anodyne COCCOc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115625069 GD Annotated Anodyne CNS(=O)(=O)c1cccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)c1 ZINC000115625100 GD Annotated Anodyne CN(C)S(=O)(=O)c1cccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)c1 ZINC000115625225 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(NS(C)(=O)=O)cc3)nc(NC3CC3)c2c1=O ZINC000115625296 GD Annotated Anodyne CNS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1 ZINC000115625363 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCCC4=O)cc3)nc(NCCO)c2c1=O ZINC000115625391 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCc3c[nH]cn3)c2c1=O ZINC000115625395 GD Annotated Anodyne C[C@H](CO)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115625502 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@@H]3CCNC3)c2c1=O ZINC000115625538 GD Annotated Anodyne CC(C)Nc1nc(-c2cnn(CCN3CCOCC3)c2)cc2ncn(C)c(=O)c12 ZINC000115625541 GD Annotated Anodyne CN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(N3CC[C@H](CO)C3)n2)cc1 ZINC000115625686 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115625721 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCN)c2c1=O ZINC000115625884 GD Annotated Anodyne Cn1cnc2cc(-c3ccc4c(c3)CC(=O)N4)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115625893 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC[C@@H](O)C3)c2c1=O ZINC000115625987 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC[C@H](O)C3)c2c1=O ZINC000115626110 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115626214 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCO)c2c1=O ZINC000115626466 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(/C(N)=N\O)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115626592 GD Annotated Mild Cn1cnc2cc(-c3ccc(N4CCCC4=O)cc3)nc(NCCCO)c2c1=O ZINC000115626627 GD Annotated Anodyne CN1CCc2cc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CO)C4)n3)ccc21 ZINC000115627144 GD Annotated Anodyne CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(N(C)CC(=O)O)nc2)c(O)cc1O ZINC000115811910 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-n4ccnn4)C[C@H]3C2)n1 ZINC000116821900 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-n4ccnn4)C[C@@H]3C2)n1 ZINC000116821902 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-n4ccnn4)C[C@H]3C2)n1 ZINC000116821904 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-n4cncn4)C[C@H]3C2)n1 ZINC000116823053 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-n4cncn4)C[C@@H]3C2)n1 ZINC000116823055 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-n4cncn4)C[C@H]3C2)n1 ZINC000116823056 GD Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116823071 GD Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116823073 GD Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 ZINC000116823074 GD Annotated Anodyne COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1 ZINC000116823532 GD Annotated Anodyne COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@@H]3C2)n1 ZINC000116823534 GD Annotated Anodyne COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1 ZINC000116823536 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cnccc4-n4ccnn4)C[C@H]3C2)n1 ZINC000116824226 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cnccc4-n4ccnn4)C[C@@H]3C2)n1 ZINC000116824228 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cnccc4-n4ccnn4)C[C@H]3C2)n1 ZINC000116824230 GD Annotated Anodyne Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@H]3C2)n1 ZINC000116824246 GD Annotated Anodyne Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@@H]3C2)n1 ZINC000116824247 GD Annotated Anodyne Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@H]3C2)n1 ZINC000116824249 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4ccnn4)C[C@@H]32)n1 ZINC000116825460 GD Annotated Anodyne COc1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000117650476 GD Annotated Anodyne COc1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000117650477 GD Annotated Anodyne COc1nc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cnc1N ZINC000117702529 GD Annotated Anodyne O=C1NC(=S)N/C1=C\c1ccc(-c2ccc3c(c2)CN(CCO)C3=O)s1 ZINC000117891694 GD Annotated Anodyne CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3cccc(CN(C)C)c3)nc21 ZINC000118366448 GD Annotated Anodyne NC(=O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000118390148 GD Annotated Anodyne O=c1n(CCO)c2cnc3ccc(-c4ccn[nH]4)nc3c2n1C1CCOCC1 ZINC000118529340 GD Annotated Anodyne O=c1n(CCO)c2cnc3ccc(-c4cn[nH]c4)nc3c2n1C1CCOCC1 ZINC000118538965 GD Annotated Anodyne C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc5[nH]ncc5c4)nc3c21 ZINC000118545332 GD Annotated Anodyne CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@H](NC(=O)Nc2cnc3[nH]ccc3n2)C1 ZINC000118760440 GD Annotated Anodyne O=C(CC[C@@H]1CCCN(C(=O)Cn2cnnn2)C1)NCc1ccc(F)c(F)c1 ZINC000012022573 GD Annotated Anodyne O=C(CC[C@H]1CCCN(C(=O)Cn2cnnn2)C1)NCc1ccc(F)c(F)c1 ZINC000012022580 GD Annotated Anodyne CN(CCO)C(=O)c1cn(C2CCN(Cc3c(F)cccc3Cl)CC2)nn1 ZINC000012023407 GD Annotated Anodyne COC[C@@H]1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)C1 ZINC000012052272 GD Annotated Anodyne COC[C@H]1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)C1 ZINC000012052275 GD Annotated Anodyne C1CCC(N2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)C1 ZINC000012053613 GD Annotated Anodyne Cn1cc(CCC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)cn1 ZINC000012056774 GD Annotated Anodyne Cn1cc(CCC(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)cn1 ZINC000012056777 GD Annotated Anodyne CN(CCN1CCc2ccccc2C1)c1nc2nonc2nc1N1CCOCC1 ZINC000012072436 GD Annotated Anodyne COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCN2CCCC2=O)CC1 ZINC000012074377 GD Annotated Anodyne COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)CCN2CCCC2=O)CC1 ZINC000012074381 GD Annotated Anodyne COc1cc(C[C@@]2(O)CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O ZINC000012153653 GD Annotated Anodyne COc1cc(C[C@]2(O)CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O ZINC000012153654 GD Annotated Anodyne in-vitro biogenic Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2ccc(Cl)cc2)=C1 ZINC000012155162 GD Annotated Anodyne Cn1cncc1CN1CCC(O)(Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000012221780 GD Annotated Anodyne O=C(c1nc[nH]n1)N1CCN(c2nncc(-c3cccc4ccccc34)n2)CC1 ZINC000012298240 GD Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccno2)c(F)c1 ZINC000012299282 GD Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccno2)c(F)c1 ZINC000012299283 GD Annotated Anodyne O=C(c1nc2ccccn2c1CNCCOc1cccnc1)N1CCOCC1 ZINC000012299717 GD Annotated Anodyne Cc1c[nH]c(CN(C)C(=O)C[C@H]2C(=O)NCCN2CCCc2ccccc2)n1 ZINC000012305523 GD Annotated Anodyne Cc1c[nH]c(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CCCc2ccccc2)n1 ZINC000012305526 GD Annotated Anodyne Cc1ccccc1Oc1ncccc1CNC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000012308089 GD Annotated Anodyne c1ccc(COC2CCN(c3nc4nonc4nc3N3CCOCC3)CC2)nc1 ZINC000012308773 GD Annotated Anodyne COCCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)CC(C)(C)C ZINC000012317325 GD Annotated Anodyne COCCCn1c(CN(CCO)C(C)C)cnc1S(=O)(=O)C1CCCC1 ZINC000012317390 GD Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4nc5ccccc5[nH]4)CC3=O)ccc12 ZINC000012355012 GD Annotated Anodyne NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3cccc(-c4cc[nH]n4)c32)cc1 ZINC000012355035 GD Annotated Mild CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C ZINC000012356240 GD Annotated Anodyne CCCOc1ccc(Nc2nc(N)n[nH]2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 ZINC000012360816 GD Annotated Anodyne COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(C)=O)cc(OC)c1OC ZINC000012377563 GD Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 ZINC000012378050 GD Annotated Anodyne O=C(c1ccccc1)[C@@H]1CCCN(c2nc3nonc3nc2N2CCOCC2)C1 ZINC000012429929 GD Annotated Anodyne O=C(c1ccccc1)[C@H]1CCCN(c2nc3nonc3nc2N2CCOCC2)C1 ZINC000012429930 GD Annotated Anodyne CCN(CCO)Cc1cnc(S(=O)(=O)CCOC)n1Cc1ccccc1 ZINC000012430212 GD Annotated Anodyne CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)Cn2cnnn2)CC1 ZINC000012432538 GD Annotated Anodyne O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)OCC(=O)c1ccccc1 ZINC000012437332 GD Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)OCC(=O)c1ccccc1 ZINC000012437333 GD Annotated Anodyne COC(=O)CSC1=N[P@@](=S)(SCC(=O)OC)Nc2[nH]nc(C)c21 ZINC000012444647 GD Annotated Reactive CCn1ccnc1CN1CCCC[C@@H]1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000012446837 GD Annotated Anodyne CCn1ccnc1CN1CCCC[C@H]1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000012446839 GD Annotated Anodyne O=C(NCCc1cn2cccnc2n1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012447020 GD Annotated Anodyne O=C(NCCc1cn2cccnc2n1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012447022 GD Annotated Anodyne CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccn1 ZINC000012448537 GD Annotated Anodyne CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1ccccn1 ZINC000012448538 GD Annotated Anodyne Cc1cnccc1CNC(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 ZINC000012449250 GD Annotated Anodyne Cc1cnccc1CNC(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1 ZINC000012449251 GD Annotated Anodyne Cc1cc(=O)c(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c[nH]1 ZINC000012456705 GD Annotated Anodyne Cc1cc(=O)c(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c[nH]1 ZINC000012456709 GD Annotated Anodyne NC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000012458534 GD Annotated Anodyne NC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000012458535 GD Annotated Anodyne COCCCNc1nc2nonc2nc1N1CCC(N2CCSCC2)CC1 ZINC000012459235 GD Annotated Anodyne CN(C)CCN(c1nc2nonc2nc1N1CCOCC1)C1CCCCC1 ZINC000012476087 GD Annotated Anodyne COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCC[S@@](C)=O ZINC000012479604 GD Annotated Anodyne COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCC[S@](C)=O ZINC000012479611 GD Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000012480082 GD Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000012495038 GD Annotated Anodyne COC(=O)[C@]1(CCSC)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000012496002 GD Annotated Anodyne CCOC(=O)[C@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000012496545 GD Annotated Anodyne Cc1ccc(OC/C(=C/C=O)Nc2cc(C[C@H](N)C(=O)O)c(O)cc2O)cc1 ZINC000012502244 GD Annotated Reactive in-vivo COCCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCCOC ZINC000012509664 GD Annotated Anodyne N#Cc1cccc(NC(=O)COC(=O)CCc2nc(=O)c3ccccc3[nH]2)c1 ZINC000012515035 GD Annotated Mild O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)NC(=O)NCc1ccco1 ZINC000012528844 GD Annotated Anodyne Cc1cccc(CN2CCN(c3nc4nonc4nc3N3CCCC3)CC2=O)c1 ZINC000012573299 GD Annotated Anodyne CC[C@H]1C(=O)NCCN1C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 ZINC000012577817 GD Annotated Anodyne CC[C@@H]1C(=O)NCCN1C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 ZINC000012577823 GD Annotated Anodyne Nc1nnnn1CC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 ZINC000012580679 GD Annotated Anodyne Nc1nnnn1CC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 ZINC000012580689 GD Annotated Anodyne c1cnn(CC[C@H]2CCCCN2c2nc3nonc3nc2N2CCOCC2)c1 ZINC000012594272 GD Annotated Anodyne c1cnn(CC[C@@H]2CCCCN2c2nc3nonc3nc2N2CCOCC2)c1 ZINC000012594278 GD Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000012595173 GD Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000012595176 GD Annotated Anodyne Cc1cc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C3CCCC3)CC2)cc(C)n1 ZINC000012597076 GD Annotated Anodyne Cc1cc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C3CCCC3)CC2)cc(C)n1 ZINC000012597081 GD Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000012635549 GD Annotated Anodyne O=C(Nc1ccnn1C1CCN(C(=O)CCn2cncn2)CC1)C1CCCC1 ZINC000012702419 GD Annotated Anodyne C1CCN(C2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)C1 ZINC000012709160 GD Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)N1C(=O)c3ccccc3NC(=O)[C@@H]21 ZINC000012726585 GD Annotated Anodyne COCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)NCCOC ZINC000012726684 GD Annotated Anodyne COC[C@@H]1CCCCN1C(=O)CCCn1nnnc1CN1CCC(C)CC1 ZINC000012752075 GD Annotated Anodyne COC[C@H]1CCCCN1C(=O)CCCn1nnnc1CN1CCC(C)CC1 ZINC000012752078 GD Annotated Anodyne CCOC(=O)C[C@@H]1COCCN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000012763016 GD Annotated Anodyne CCOC(=O)C[C@H]1COCCN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000012763020 GD Annotated Anodyne C[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)Nc1ccccc1 ZINC000012927670 GD Annotated Anodyne C[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)Nc1ccccc1 ZINC000012927674 GD Annotated Anodyne CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccoc2C)C1=O ZINC000012950648 GD Annotated Reactive CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccoc2C)C1=O ZINC000012950652 GD Annotated Reactive CCOC1=C/C(=C/NNc2nc(N3CCCC3)nc(N3CCCC3)n2)C=CC1=O ZINC000013111033 GD Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1ccc2ccccc21 ZINC000013116382 GD Annotated Anodyne CC(=O)O[C@H]1CO[C@@H](n2ccc3ccccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013116383 GD Annotated Anodyne CC(=O)O[C@@H]1[C@@H](n2ccc3ccccc32)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000013116384 GD Annotated Anodyne CC(=O)O[C@H]1CO[C@H](n2ccc3ccccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013116385 GD Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000013116599 GD Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000013116601 GD Annotated Anodyne CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000013116602 GD Annotated Anodyne O=C(CCC(=O)Nc1cccc(Cl)c1)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O ZINC000013119028 GD Annotated Reactive Cc1ccc(C)c(NC(=O)CCC(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)c1 ZINC000013119032 GD Annotated Reactive CCOC1=CC=C/C(=C\NNc2ccc(S(=O)(=O)N(CC)CC)cn2)C1=O ZINC000013119101 GD Annotated Mild CCN(CC)C1=CC(=O)/C(=C/NNC(=O)CCC(=O)NCc2ccccc2)C=C1 ZINC000013119164 GD Annotated Reactive O=C1C([N+](=O)[O-])=CC=C/C1=C\NNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000013119208 GD Annotated Reactive COC1=C/C(=C/NNC(=O)CCNC(=O)c2ccccc2Cl)C=CC1=O ZINC000013119287 GD Annotated Reactive COC1=CC=C/C(=C\NNC(=O)CSc2nnc(C)n2-c2ccccc2)C1=O ZINC000013119349 GD Annotated Reactive COC1=CC(=CNn2c(-c3n[nH]c4c3CCC4)n[nH]c2=S)C=C(OC)C1=O ZINC000013119597 GD Annotated Mild COc1ccc(Cc2n[nH]c(NN/C=C3\C=CC=CC3=O)nc2=O)cc1OC ZINC000013120104 GD Annotated Mild C[C@@H](ON/C=C1\C=CC=CC1=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000013120195 GD Annotated Mild C[C@H](ON/C=C1\C=CC=CC1=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000013120196 GD Annotated Mild CCOC1=CC=C/C(=C\NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000013122195 GD Annotated Mild O=C(CNC(=O)c1ccccc1)NN/C=C1\C=C(Br)C=CC1=O ZINC000013122271 GD Annotated Reactive O=C1C=CC(=CNNC(=O)CNC(=O)c2ccccc2Br)C=C1 ZINC000013122338 GD Annotated Reactive COc1ccc(Cc2n[nH]c(NNC=C3C=CC(=O)C=C3)nc2=O)cc1OC ZINC000013122488 GD Annotated Mild O=C1C=CC([N+](=O)[O-])=C/C1=C\NNc1ncnc2c1cnn2-c1ccccc1 ZINC000013122531 GD Annotated Mild COC1=C/C(=C\NNC(=O)CSc2nnc(C)n2-c2ccccc2)C(=O)C=C1 ZINC000013122694 GD Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(NN/C=C2\C=C(OC)C=CC2=O)nc1 ZINC000013122880 GD Annotated Mild COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2cncc(Br)c2)C1=O ZINC000013123046 GD Annotated Reactive O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000013123175 GD Annotated Reactive COC1=CC=C/C(=C\NNc2nc(N3CCCC3)nc(N3CCCC3)n2)C1=O ZINC000013123314 GD Annotated Mild CC(=O)OCC1=C/C(=C2/N=c3ccccc3=NC2=O)NN1c1ccc(Cl)cc1 ZINC000013123359 GD Annotated Anodyne CCOC1=CC=C/C(=C\NNc2nc(N3CCCC3)nc(N3CCCC3)n2)C1=O ZINC000013124101 GD Annotated Mild O=C(CNC(=O)c1ccccc1Br)NN/C=C1\C=CC=CC1=O ZINC000013124206 GD Annotated Reactive COC1=C/C(=C/NN(C)S(=O)(=O)c2ccc(C)cc2)C=C([N+](=O)[O-])C1=O ZINC000013124217 GD Annotated Mild CCc1ccc(N2C[C@@H](C(=O)NN/C=C3\C=C([N+](=O)[O-])C=CC3=O)CC2=O)cc1 ZINC000013124331 GD Annotated Reactive CCc1ccc(N2C[C@H](C(=O)NN/C=C3\C=C([N+](=O)[O-])C=CC3=O)CC2=O)cc1 ZINC000013124332 GD Annotated Reactive Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)NN/C=C2\C=CC(=O)C=C2O)cc1 ZINC000013125655 GD Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2cc(C)nc3ccccc23)C1=O ZINC000013125665 GD Annotated Reactive O=C1C=C/C(=C/NNC(=O)C(O)(c2ccccc2)c2ccccc2)C=C1[N+](=O)[O-] ZINC000013125725 GD Annotated Reactive COc1ccc(C2=NN=C/C2=C\NNS(=O)(=O)c2ccccc2)cc1OC ZINC000013126169 GD Annotated Anodyne O=C1C=Cc2cc(=C3Nc4ccccc4N3)c(=O)oc2=C1CN1CCCCCC1 ZINC000013126193 GD Annotated Mild O=C1C=Cc2cc(=C3Nc4ccccc4N3)c(=O)oc2=C1CN1CCCCC1 ZINC000013129927 GD Annotated Mild CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NC2CCCCCC2)[C@@H]3C1=O ZINC000013131327 GD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCCCC2)[C@@H]3C1=O ZINC000013131329 GD Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@@H]3C1=O ZINC000013131690 GD Annotated Anodyne COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)cc1 ZINC000013132253 GD Annotated Anodyne COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)cc1 ZINC000013132254 GD Annotated Anodyne C/C(=N/NC(=O)C[C@@H]1N=C(Cc2ccccc2)NNC1=O)c1ccc(C)cc1 ZINC000013136310 GD Annotated Reactive C/C(=N/NC(=O)C[C@H]1N=C(Cc2ccccc2)NNC1=O)c1ccc(C)cc1 ZINC000013136311 GD Annotated Reactive C/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000013139274 GD Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1N1CCc2ccccc21 ZINC000013139324 GD Annotated Anodyne CC(=O)O[C@H]1CO[C@@H](N2CCc3ccccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013139325 GD Annotated Anodyne CSCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000013140128 GD Annotated Clean CCOC(=O)[C@H]1[C@@H](c2ccc(C(=O)O)cc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000013144779 GD Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(C(=O)O)cc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000013144781 GD Annotated Anodyne C[C@@H](OC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)c1ccccc1 ZINC000013147034 GD Annotated Anodyne C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)c1ccccc1 ZINC000013147035 GD Annotated Anodyne C[C@@H](OC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)c1ccccc1 ZINC000013147036 GD Annotated Anodyne C[C@H](OC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)c1ccccc1 ZINC000013147037 GD Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)cc1 ZINC000013147293 GD Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)cc1 ZINC000013147294 GD Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@]23C=C[C@H]1O3 ZINC000013147325 GD Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@]23C=C[C@H]1O3 ZINC000013147354 GD Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@]23C=C[C@H]1O3 ZINC000013147355 GD Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000013147369 GD Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(F)c(C)c2)[C@@H]3C1=O ZINC000013150412 GD Annotated Anodyne CC(=O)N[C@H]1[C@@H](Oc2ccccc2C)O[C@H]2CO[C@H](c3ccco3)O[C@H]2[C@@H]1O ZINC000013151329 GD Annotated Anodyne CC(=O)N[C@@H]1[C@@H](Oc2ccccc2C)O[C@H]2CO[C@H](c3ccco3)O[C@H]2[C@@H]1O ZINC000013151330 GD Annotated Anodyne CC(=O)N[C@@H]1[C@H](O)[C@@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1ccccc1C ZINC000013151331 GD Annotated Anodyne CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1ccccc1C ZINC000013151332 GD Annotated Anodyne O=C(O)[C@@H]1SCCN1S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 ZINC000013151965 GD Annotated Anodyne O=C(O)[C@H]1SCCN1S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 ZINC000013151966 GD Annotated Anodyne O=C1CCCN1CCC/N=c1/c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)n1O ZINC000013152975 GD Annotated Bother O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013153383 GD Annotated Anodyne COc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1 ZINC000013154035 GD Annotated Anodyne COc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 ZINC000013154036 GD Annotated Anodyne Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(C)c2ccccc2c1=O ZINC000013154594 GD Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1cccc(OC)c1 ZINC000013154926 GD Annotated Anodyne CC(=O)NC1=C(C)C(=O)c2c(nc3n2CC[C@H]3OC(=O)c2ccccc2)C1=O ZINC000013215415 GD Annotated Mild C=C1C[C@H](OC(=O)[C@](C)(O)CCl)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000013326252 GD Annotated Reactive biogenic C=C1C[C@H](OC(=O)[C@@](C)(O)CCl)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000013326254 GD Annotated Reactive biogenic O=C1NC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N=C1c1cccs1 ZINC000013363083 GD Annotated Anodyne COC(=O)[C@H]1c2cc3c(c(O)c2CC[C@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O ZINC000013367659 GD Annotated Clean O=C1C=C2O[C@@]3(O)CC(=O)c4c(O)cc(O)cc4C3=C2c2cc(O)cc(O)c21 ZINC000013368988 GD Annotated Mild O=C1C=C2O[C@]3(O)CC(=O)c4c(O)cc(O)cc4C3=C2c2cc(O)cc(O)c21 ZINC000013368990 GD Annotated Mild O[C@]1(c2ccc3c(c2)OCO3)OC[C@H]2[C@@H](c3ccc4c(c3)OCO4)OC[C@]21O ZINC000013372044 GD Annotated Anodyne O[C@]1(c2ccc3c(c2)OCO3)OC[C@H]2[C@H](c3ccc4c(c3)OCO4)OC[C@]21O ZINC000013372046 GD Annotated Anodyne O[C@]1(c2ccc3c(c2)OCO3)OC[C@@H]2[C@@H](c3ccc4c(c3)OCO4)OC[C@]21O ZINC000013372048 GD Annotated Anodyne O[C@]1(c2ccc3c(c2)OCO3)OC[C@@H]2[C@H](c3ccc4c(c3)OCO4)OC[C@]21O ZINC000013372050 GD Annotated Anodyne COC(=O)[C@@H]1c2cc3c(c(O)c2CC[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O ZINC000013374316 GD Annotated Clean COc1cc(OC)c2c(c1)C(=O)c1c(O)c(C(C)=O)c(C(=O)O)c(O)c1C2=O ZINC000013374715 GD Annotated Clean C[C@@H](O)C(=O)O[C@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O ZINC000013374927 GD Annotated Anodyne Cc1cc(O)c(C=O)c(O)c1C(=O)OCc1cc(O)c(C=O)c(O)c1C(=O)O ZINC000013375597 GD Annotated Anodyne N=C1N[C@@H]2n3c(cc(Br)c3Br)C(=O)N3CCC[C@@]23N1 ZINC000013379787 GD Annotated Anodyne N=C1N[C@H]2n3c(cc(Br)c3Br)C(=O)N3CCC[C@]23N1 ZINC000013379790 GD Annotated Anodyne in-vitro COc1ccc2c(c1)C(=O)N1CCC[C@H]1c1n-2c(=O)c(O)c2cc(OC)cc[n+]12 ZINC000013397483 GD Annotated Anodyne COc1c(O)ccc2c(=O)c3c(O)cc4c(c3n(C)c12)[C@@H](O)[C@@H](O)C(C)(C)O4 ZINC000013397664 GD Annotated Bother in-man endogenous COc1c(O)ccc2c(=O)c3c(O)cc4c(c3n(C)c12)[C@@H](O)[C@H](O)C(C)(C)O4 ZINC000013397667 GD Annotated Bother in-man endogenous COc1c(O)ccc2c(=O)c3c(O)cc4c(c3n(C)c12)[C@H](O)[C@@H](O)C(C)(C)O4 ZINC000013397670 GD Annotated Bother in-man endogenous COc1c(O)ccc2c(=O)c3c(O)cc4c(c3n(C)c12)[C@H](O)[C@H](O)C(C)(C)O4 ZINC000013397673 GD Annotated Bother in-man endogenous C[C@]1(O)C[C@H](C[C@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000013399220 GD Annotated Anodyne C[C@](O)(C[C@H]1C[C@@](C)(O)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 ZINC000013399224 GD Annotated Anodyne C[C@](O)(C[C@@H]1C[C@@](C)(O)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 ZINC000013399232 GD Annotated Anodyne O=C(O)c1cc(S(=O)(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)O)c(Cl)cc1Cl ZINC000013401174 GD Annotated Anodyne O=C(O)c1cc(S(=O)(=O)N2C[C@H]3C[C@H]3[C@@H]2C(=O)O)c(Cl)cc1Cl ZINC000013401179 GD Annotated Anodyne CC1(C)C=Cc2c(c(C[C@@H](O)C(C)(C)O)c3oc(CO)cc(=O)c3c2O)O1 ZINC000013404262 GD Annotated Anodyne COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2C[C@@](O)([C@H](C)O)[C@@H]1C[C@H]23 ZINC000013406525 GD Annotated Anodyne COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2C[C@@](O)(C(C)=O)[C@@H]1C[C@H]23 ZINC000013406532 GD Annotated Anodyne COC(=O)C1=C2Nc3c(OC)cccc3[C@@]23CCN2C[C@@](O)([C@H](C)O)[C@@H]1C[C@H]23 ZINC000013406539 GD Annotated Anodyne CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)[C@@H](O)c3cc4c(cc3[C@@H]12)OCO4 ZINC000013408859 GD Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C(C)=CC[C@@]2([C@@H]3[C@H](C)COC(=O)[C@H]3O[C@]2(C)O)[C@H]1OC(C)=O ZINC000013414774 GD Annotated Anodyne in-man CC(=O)O[C@H]1C(C)=CC[C@@]2([C@H]3[C@H](O[C@]2(C)O)C(=O)OC[C@@H]3C)[C@H]1OC(C)=O ZINC000013414777 GD Annotated Anodyne in-man CC(=O)O[C@H]1C(C)=CC[C@@]2([C@@H]3[C@H](C)COC(=O)[C@@H]3O[C@]2(C)O)[C@H]1OC(C)=O ZINC000013414780 GD Annotated Anodyne in-man CC(=O)O[C@H]1C(C)=CC[C@@]2([C@@H]3[C@@H](C)COC(=O)[C@@H]3O[C@]2(C)O)[C@H]1OC(C)=O ZINC000013414783 GD Annotated Anodyne in-man Nc1ncc(C[C@H]2CNC(=O)c3cc(Br)c(Br)n32)[nH]1 ZINC000013429644 GD Annotated Anodyne CS[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@@](CO)(SC)N(C)C1=O ZINC000013430277 GD Annotated Anodyne CS[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@](CO)(SC)N(C)C1=O ZINC000013430280 GD Annotated Anodyne O=[N+]([O-])c1cc([C@H](NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1 ZINC000013440483 GD Annotated Bother O=[N+]([O-])c1cc([C@@H](NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1 ZINC000013440485 GD Annotated Bother O=C(O)CN1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440578 GD Annotated Anodyne O=C(O)CN1CCC(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440604 GD Annotated Anodyne COC(=O)c1sc2[nH]c([S@@](=O)Cc3ccccn3)nc2c1C(=O)OC ZINC000013448914 GD Annotated Anodyne COC(=O)c1sc2[nH]c([S@](=O)Cc3ccccn3)nc2c1C(=O)OC ZINC000013448917 GD Annotated Anodyne O=S(=O)(O)OCCc1cc(O)c(O)c(Br)c1Br ZINC000013450174 GD Annotated Clean COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)O)=NO2 ZINC000013450344 GD Annotated Anodyne COC(=O)C1=NO[C@]2(C=C(Br)C(OC)=C(Br)[C@@H]2O)C1 ZINC000013450363 GD Annotated Anodyne NC1=N[C@@]23CCCN2C(=O)c2[nH]c(Br)c(Br)c2[C@H]3N1 ZINC000013450474 GD Annotated Anodyne NC1=N[C@]23CCCN2C(=O)c2[nH]c(Br)c(Br)c2[C@H]3N1 ZINC000013450479 GD Annotated Anodyne NC1=N[C@]23CCCN2C(=O)c2[nH]c(Br)c(Br)c2[C@@H]3N1 ZINC000013450489 GD Annotated Anodyne O=C1N[C@@H]2n3c(cc(Br)c3Br)C(=O)N3CCC[C@@]23N1 ZINC000013450765 GD Annotated Anodyne O=C1N[C@@H]2n3c(cc(Br)c3Br)C(=O)N3CCC[C@]23N1 ZINC000013450770 GD Annotated Anodyne CN1C(=O)Nc2ccc(OC(=O)/C=C/c3ccccc3)cc2[C@@]12NC(=O)NC2=O ZINC000013455932 GD Annotated Anodyne CN1C(=O)Nc2ccc(OC(=O)/C=C/c3ccccc3)cc2[C@]12NC(=O)NC2=O ZINC000013455935 GD Annotated Anodyne COc1cc([C@@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@@H]2CO)cc(O)c1O ZINC000013462093 GD Annotated Clean in-vitro biogenic COc1cc([C@@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@H]2CO)cc(O)c1O ZINC000013462096 GD Annotated Clean NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3ccc(-c4cnco4)cc32)cc1 ZINC000013470429 GD Annotated Mild COc1ccc2c(c1Cl)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000013470477 GD Annotated Mild Cc1c([N+](=O)[O-])ccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000013470478 GD Annotated Mild NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3ccc4[nH]nc(Cl)c4c32)cc1 ZINC000013470479 GD Annotated Mild COc1c(C)c2c(c(O)c1CCO[P@](=O)(O)CP(=O)(O)O)C(=O)OC2 ZINC000013472291 GD Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)NCCO)ccc2O1 ZINC000013472635 GD Annotated Anodyne COC(=O)/C=C/Cn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O ZINC000013475108 GD Annotated Anodyne COCCOCCN(CCOC)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013475418 GD Annotated Anodyne CC(C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCO)nn1 ZINC000013478013 GD Annotated Anodyne CC(C)C[C@H](N)c1cn([C@@H](Cc2ccc(O)cc2)C(=O)N2CCNCC2)nn1 ZINC000013478093 GD Annotated Anodyne CC[C@H](C)[C@@H](C(=O)N1CCNCC1)n1cc([C@@H](N)Cc2ccc(O)cc2)nn1 ZINC000013478139 GD Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CC[C@H](C(N)=O)C3)c21 ZINC000013478398 GD Annotated Bother COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CC[C@@H](NC=O)C3)c21 ZINC000013478418 GD Annotated Bother C=C(C)C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)/C=C\C)c3)=NO2)C[C@H]1C(N)=O ZINC000013478607 GD Annotated Mild C=C(C)C(=O)N1C[C@]2(CC(c3cccc(NC(=O)/C=C\C)c3)=NO2)C[C@H]1C(N)=O ZINC000013478609 GD Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)CC)C3)c1 ZINC000013478663 GD Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)CC)C3)c1 ZINC000013478665 GD Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)/C=C/C)C3)c1 ZINC000013478667 GD Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)/C=C/C)C3)c1 ZINC000013478669 GD Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)CC#N)C3)c1 ZINC000013478717 GD Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)CC#N)C3)c1 ZINC000013478719 GD Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)C(=C)C)C3)c1 ZINC000013478726 GD Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)C(=C)C)C3)c1 ZINC000013478729 GD Annotated Mild C/C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)/C=C/C)C3)c1 ZINC000013478731 GD Annotated Anodyne C/C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)/C=C/C)C3)c1 ZINC000013478733 GD Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC)C3)c1 ZINC000013478929 GD Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC)C3)c1 ZINC000013478931 GD Annotated Anodyne CCC(=O)c1c(CC(=O)OC)c(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O ZINC000013480500 GD Annotated Clean CNC(=O)N/N=C(\c1ccc(N)cc1)c1cc2c(cc1CC(=O)OC)OCO2 ZINC000013487445 GD Annotated Reactive COc1cc(OC)c2cc3n(c2c1)C(=S)N(CCCN1CCOCC1)C3=O ZINC000013487558 GD Annotated Anodyne Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2N)c1 ZINC000013489452 GD Annotated Mild CN(C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1 ZINC000013489777 GD Annotated Anodyne O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccccn1)C2 ZINC000013491490 GD Annotated Anodyne O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccncc1)C2 ZINC000013491491 GD Annotated Anodyne CCc1[nH]nc2c1C(=O)c1c(NC(=O)CN3CCC(C(N)=O)CC3)cccc1-2 ZINC000013492174 GD Annotated Anodyne CC(C)c1[nH]nc2c1C(=O)c1c(NC(=O)CN3CCC(C(N)=O)CC3)cccc1-2 ZINC000013492175 GD Annotated Anodyne NC(=O)C1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CC2)CC1 ZINC000013492176 GD Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@@H](N)CO ZINC000013493213 GD Annotated Anodyne CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3F)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000013496183 GD Annotated Reactive CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1 ZINC000013511386 GD Annotated Anodyne COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)NCCO)(C2)[C@H]13 ZINC000013522307 GD Annotated Anodyne in-vivo O=C(CN1Cc2c(Cl)cccc2N(Cc2ccccc2)S1(=O)=O)NO ZINC000013530615 GD Annotated Anodyne O=Cc1ccn(-c2cc3c(cc2C(F)(F)F)[nH]c(=O)c2nc(C(=O)O)nn23)c1 ZINC000013532586 GD Annotated Anodyne CCOC(=O)c1nc2c(O)nc3cc([N+](=O)[O-])c(-n4ccc(C=O)c4)cc3n2n1 ZINC000013532613 GD Annotated Bother C[C@H]1N=N[C@H](c2ccc(S(=O)(=O)N[C@@H]3SC(=S)NC3=O)cc2)S1 ZINC000013532964 GD Annotated Clean C[C@@H]1N=N[C@H](c2ccc(S(=O)(=O)N[C@@H]3SC(=S)NC3=O)cc2)S1 ZINC000013532968 GD Annotated Clean C[C@H]1N=N[C@@H](c2ccc(S(=O)(=O)N[C@@H]3SC(=S)NC3=O)cc2)S1 ZINC000013532973 GD Annotated Clean C[C@@H]1N=N[C@@H](c2ccc(S(=O)(=O)N[C@@H]3SC(=S)NC3=O)cc2)S1 ZINC000013532978 GD Annotated Clean Cn1c(=O)c(Cc2ccc(C(=N)N)cc2)nc2cc(C3(C(=O)O)CC3)ccc21 ZINC000013535243 GD Annotated Anodyne CCOC(=O)N(C)CC[C@@]12C=C[C@H](O)C[C@@H]1Oc1c(OC)ccc(CO)c12 ZINC000013535622 GD Annotated Anodyne NCCCCN(CCCN)Cc1ccc(CN(CCCN)CCCCN)cc1 ZINC000013553207 GD Annotated Anodyne C[C@H](c1cc[n+]([O-])cc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553710 GD Annotated Bother CN(C)CCc1c(C(=O)N(C)C)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12 ZINC000013557166 GD Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCC(=O)N1 ZINC000013559791 GD Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCCC(=O)N1 ZINC000013559798 GD Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OC/C(S)=N/1 ZINC000013559803 GD Annotated Anodyne COC(=O)c1c(C)c(OC)cc(O)c1CSC[C@H](NC(C)=O)C(=O)OC ZINC000013559809 GD Annotated Anodyne N=C(N)c1ccc(N2CC3(CCN(C(=O)CCCC(=O)O)CC3)CC2=O)cc1 ZINC000013560392 GD Annotated Anodyne N=C(N)c1ccc(N2CC3(CCN(C(=O)CCCC(=O)O)CC3)NC2=O)cc1 ZINC000013560409 GD Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCS(=O)(=O)CC2)cc1 ZINC000013560513 GD Annotated Anodyne O=C1COCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(COC1=O)N2 ZINC000013580045 GD Annotated Mild O=C1CNCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)CNCC1=N2 ZINC000013580054 GD Annotated Mild NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O ZINC000013583412 GD Annotated Anodyne C=C(C)C(=O)O[C@@H]1/C=C(\C=O)[C@H](OC)CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000013585318 GD Annotated Reactive in-vivo C=C(C)C(=O)O[C@@H]1[C@@H](OC)/C(C=O)=C\CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000013585321 GD Annotated Reactive Cc1nn(-c2ccc(S(N)(=O)=O)c(CO)c2)c2c1c(=O)[nH]c1ccccc12 ZINC000013588966 GD Annotated Anodyne Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1c(=O)[nH]c1ccc([N+](=O)[O-])cc12 ZINC000013588968 GD Annotated Bother CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCN1C(=O)COCC1=O ZINC000013590031 GD Annotated Anodyne Cc1cccc(N2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)n1 ZINC000013593910 GD Annotated Anodyne CCn1nc(C)c(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)c1C ZINC000013594538 GD Annotated Anodyne CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)o2)c1C ZINC000013594541 GD Annotated Anodyne Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)nc2c1CCCC2 ZINC000013595182 GD Annotated Anodyne Cc1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)nc2c1CCCC2 ZINC000013595185 GD Annotated Anodyne CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCN(c2ncccn2)CC1 ZINC000013596850 GD Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4n5c3c2OC[C@H]5CS4)CC1 ZINC000013600141 GD Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4n5c3c2OC[C@@H]5CS4)CC1 ZINC000013600143 GD Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4n5c3c2SC[C@H]5CO4)CC1 ZINC000013600154 GD Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4n5c3c2SC[C@@H]5CO4)CC1 ZINC000013600156 GD Annotated Anodyne COC(=O)NC(=O)C[C@@H]1C(=O)N(C)C(=O)c2cc(Br)c(OC)cc21 ZINC000013601357 GD Annotated Anodyne COC(=O)NC(=O)C[C@H]1C(=O)N(C)C(=O)c2cc(Br)c(OC)cc21 ZINC000013601360 GD Annotated Anodyne COC(=O)c1[nH]c2ccc(CN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C ZINC000013605924 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000013607957 GD Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 ZINC000013607960 GD Annotated Anodyne COc1cccc(OC)c1CN1C(=O)c2c(c(O)c3nccnc3c2O)C1=O ZINC000013612266 GD Annotated Anodyne COc1cccc(CN2C(=O)c3c(c(O)c4nccnc4c3O)C2=O)c1OC ZINC000013612268 GD Annotated Anodyne COc1ccc(CN2C(=O)c3c(c(O)c4nccnc4c3O)C2=O)c(OC)c1 ZINC000013612270 GD Annotated Anodyne CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCN1CCCc2ccccc21 ZINC000013636657 GD Annotated Anodyne CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCCN1CCCc2ccccc21 ZINC000013636660 GD Annotated Anodyne CC(C)CN1CCNC(=O)[C@@H]1CC(=O)NCc1cnn(-c2cccc(F)c2)c1 ZINC000013636760 GD Annotated Anodyne CC(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1cnn(-c2cccc(F)c2)c1 ZINC000013636765 GD Annotated Anodyne Cc1nonc1OCCNCc1c(C(=O)N(C)C)nc2ccc(Cl)cn12 ZINC000013637099 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1n[nH]c(=O)c2ccccc12 ZINC000013637494 GD Annotated Anodyne O=C(O)[C@H]1NCCN(C(=O)c2ccc3ccc4ccccc4c3c2)[C@H]1C(=O)O ZINC000013642338 GD Annotated Bother in-vitro O=C(O)[C@H]1NCCN(C(=O)c2ccc3c(c2)CCc2ccccc2-3)[C@H]1C(=O)O ZINC000013642344 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3nnn(C)n3)c(F)c2)C(=O)O1 ZINC000013648809 GD Annotated Anodyne CCNC[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3CC)C1 ZINC000013649624 GD Annotated Anodyne CCNC[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3CC)C1 ZINC000013649626 GD Annotated Anodyne N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)C1 ZINC000013650204 GD Annotated Anodyne N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)C1 ZINC000013650205 GD Annotated Anodyne O=C(O)c1c(=O)c2cc(F)c(N3CCNCC3)c3c2n2c(csc12)CO3 ZINC000013650208 GD Annotated Anodyne O=C1C[C@@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc([N+](=O)[O-])cc1 ZINC000013651442 GD Annotated Bother O=C1C[C@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc([N+](=O)[O-])cc1 ZINC000013651443 GD Annotated Bother C#CCNC(=O)C1=C[C@H](c2ccc3c(c2)OCO3)[C@@H](CCCO)[C@H](OCC)O1 ZINC000013656433 GD Annotated Mild C#CCNC(=O)C1=C[C@@H](c2ccc3c(c2)OCO3)[C@H](CCCO)[C@@H](OCC)O1 ZINC000013656568 GD Annotated Mild COCCNC(=O)c1onc(CSc2ccncc2)c1C(=O)NCCOC ZINC000013660857 GD Annotated Anodyne COc1cc(CCCN2C(=O)C(=O)NC[C@@H]2CCCCN)cc(OC)c1OC ZINC000013662179 GD Annotated Anodyne C[C@@H](O)[C@H]1CNC(=O)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662189 GD Annotated Anodyne C[C@H](O)[C@H]1CNC(=O)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662191 GD Annotated Anodyne COc1cc(C)c(S(=O)(=O)NC[C@@H](O)[C@@H](N)Cc2ccccc2)c(C)c1C ZINC000013681953 GD Annotated Anodyne in-vivo Nc1c(C(=O)c2cccc(CCS(N)(=O)=O)c2)cnn1-c1ccc(F)cc1 ZINC000013683073 GD Annotated Anodyne Cn1cc2c(nc(NC(=O)Nc3ccc[n+](C)c3)n3nc(-c4ccco4)nc23)n1 ZINC000013683586 GD Annotated Anodyne COC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)Nc2nnc(C(F)(F)F)n2[C@@]1(C)O ZINC000013684025 GD Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2c(cnn2C)C4=NCC3)cc1 ZINC000013687120 GD Annotated Clean Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2cnn(C)c2C4=NCC3)cc1 ZINC000013687155 GD Annotated Clean C#CCCCO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3CC[C@@H]12 ZINC000013704373 GD Annotated Mild CC(C)CNCc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1 ZINC000013727888 GD Annotated Anodyne CC(C)CNCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1 ZINC000013727903 GD Annotated Anodyne CC(C)CNCc1ccccc1S(=O)(=O)c1csc(S(N)(=O)=O)c1 ZINC000013727910 GD Annotated Anodyne CCN(CC)Cc1cc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)ccc1O ZINC000013727949 GD Annotated Clean CC(C)(C)C1CS(=O)(=O)C(c2cc([N+](=O)[O-])ccc2O)S(=O)(=O)C1 ZINC000013733460 GD Annotated Bother CC(C)(C)C1CS(=O)(=O)C(c2cc(O)ccc2[N+](=O)[O-])S(=O)(=O)C1 ZINC000013733463 GD Annotated Bother CC(=O)OCCOCn1c2c(c(=O)[nH]c1=O)CN(C)c1ccccc1S2 ZINC000013741653 GD Annotated Anodyne CC(=O)OCCOCn1c2c(c(=O)n(C)c1=O)CNc1ccccc1S2 ZINC000013741654 GD Annotated Anodyne O=C1c2cc(N3CCOCC3)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21 ZINC000013755820 GD Annotated Anodyne O=c1c(O)nc2cc([N+](=O)[O-])c(-n3ccnc3)cc2n1[C@@H]1CN2CCC1CC2 ZINC000013759237 GD Annotated Bother O=c1c(O)nc2cc([N+](=O)[O-])c(-n3ccnc3)cc2n1[C@H]1CN2CCC1CC2 ZINC000013759240 GD Annotated Bother C#C[C@H](CC(=O)O)NC(=O)CN1CCc2ccc(-c3ccncc3)cc2C1=O ZINC000013760120 GD Annotated Mild C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)c(O)c1)C(F)(F)F ZINC000013760237 GD Annotated Anodyne C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cncnc2)cc1)C(F)(F)F ZINC000013760238 GD Annotated Anodyne C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cncnc2)cc1)C(F)(F)F ZINC000013760239 GD Annotated Anodyne COC(=O)C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC(c2ccc(C(=N)N)cc2)=NO1 ZINC000013763281 GD Annotated Anodyne COC(=O)C[C@@H](CC(C)C)NC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1 ZINC000013763283 GD Annotated Anodyne N=C(N)NCc1ccc(COc2ccc3c(c2)CCN(CC(=O)O)C3=O)cc1 ZINC000013763501 GD Annotated Anodyne CN1Cc2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000013763785 GD Annotated Anodyne CN1Cc2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2N[C@H](CC(=O)O)C1=O ZINC000013763788 GD Annotated Anodyne C#CCn1c(=O)c2c(nc(/C=C/c3cccc(Br)c3)n2C)n(C)c1=O ZINC000013776417 GD Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC(=O)[C@]3(C)C(=O)O)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000013781908 GD Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC(=O)[C@]3(C)C(=O)O)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000013781909 GD Annotated Anodyne Clc1nc2c(N3CCCC3)nc(N3CCNCC3)nc2nc1N1CCCC1 ZINC000013782030 GD Annotated Anodyne CN(C(=O)c1ccc2c(c1)CN(CC(=O)O)C(=O)CC2)c1ccc(C(=N)N)cc1 ZINC000013782923 GD Annotated Anodyne C=CC[N+]1(C)CCN(CCNC(=O)n2c(=O)n(C(C)C)c3ccccc32)CC1 ZINC000013799452 GD Annotated Mild CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(NC(C)=O)c2c1=O ZINC000013801005 GD Annotated Anodyne C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1/C(=N/C#N)Oc1ccccc1 ZINC000013804077 GD Annotated Mild O=C1c2ccccc2-c2ccc(C[C@H](NCP(=O)(O)O)c3nnn[nH]3)cc21 ZINC000013805008 GD Annotated Anodyne O=C1c2ccccc2-c2ccc(C[C@@H](NCP(=O)(O)O)c3nnn[nH]3)cc21 ZINC000013805011 GD Annotated Anodyne COC(=O)N1c2ccccc2[C@]23[C@H]4N5CCC[C@]46CC[C@]12[C@@](O)(C6)C(=O)[C@H]3C5 ZINC000013814920 GD Annotated Anodyne COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 ZINC000013815587 GD Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 ZINC000013815590 GD Annotated Mild CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CC)C(=O)C2=CN1C(CO)CO ZINC000013816961 GD Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CC)C(=O)C2=CN1C(CO)CO ZINC000013816965 GD Annotated Mild C=CCN1C=C2C(=O)[C@@](C)(OC(=O)CCC(=O)OC)C(=O)C=C2C=C1C1CC1 ZINC000013816984 GD Annotated Mild C=CCN1C=C2C(=O)[C@](C)(OC(=O)CCC(=O)OC)C(=O)C=C2C=C1C1CC1 ZINC000013816988 GD Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(C3CC3)C=C2C1=O ZINC000013817040 GD Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(C3CC3)C=C2C1=O ZINC000013817044 GD Annotated Mild CS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]21)OCCO5 ZINC000013820253 GD Annotated Anodyne Nc1nc(Cl)c2ncn([C@@H]3C[C@H]4C[C@](CC(=O)O)(C(=O)O)O[C@H]4C3)c2n1 ZINC000013826870 GD Annotated Anodyne O=C(NCCN1CCOCC1)[C@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 ZINC000013829210 GD Annotated Anodyne O=C(NCCN1CCOCC1)[C@@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 ZINC000013829212 GD Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@H]21 ZINC000013829385 GD Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@@H]12 ZINC000013829387 GD Annotated Anodyne CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000013831450 GD Annotated Clean CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000013831451 GD Annotated Clean CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000013831453 GD Annotated Clean CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000013831454 GD Annotated Clean CCOC(=O)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000013831464 GD Annotated Clean CC1(C)C(=O)c2ccc(Br)cc2[C@@H](N2CCN=C2NC#N)[C@@H]1O ZINC000013832191 GD Annotated Anodyne N[C@H](Cc1nc2cc(Cl)c(Cl)cc2nc1CP(=O)(O)O)C(=O)O ZINC000013861294 GD Annotated Anodyne N[C@H](Cc1nc2c(Cl)ccc(Cl)c2nc1CP(=O)(O)O)C(=O)O ZINC000013861295 GD Annotated Anodyne O=C(CN1Cc2c(Br)cccc2N(CC2CC2)S1(=O)=O)NO ZINC000013862890 GD Annotated Anodyne CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O ZINC000013885991 GD Annotated Mild C[C@@H](SC(=O)c1cccs1)C(=O)NCC(=O)N1CSC[C@H]1C(=O)O ZINC000013903726 GD Annotated Anodyne C[C@H](O)C[S@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000013919052 GD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)C[C@@H](C)O)CC(=O)O1 ZINC000013919053 GD Annotated Anodyne C[C@@H](c1cc[n+]([O-])cc1)n1nc(O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O ZINC000013919736 GD Annotated Bother O=C(Nc1nnn[nH]1)c1cnc(N2CCOCC2)nc1OC1CCCCCC1 ZINC000013981909 GD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000135751605 GD Annotated Anodyne C/N=C(\SCc1cc2c(cc1Cl)OCO2)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000135757536 GD Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@H](OC(C)=O)C3=CC[N+]([O-])(C2)[C@H]31 ZINC000136064112 GD Annotated Bother CC[C@H]1C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000136354127 GD Annotated Bother C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C=O)C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000136696972 GD Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O)C[C@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000136777632 GD Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000136777671 GD Annotated Mild Cc1nc2nc[nH]n2c(=O)c1NS(=O)(=O)c1ccc(Br)cc1 ZINC000136793903 GD Annotated Anodyne COC(=O)C[C@@H]1[C@@H]2[C@@H](OC)OC[C@]2(O)C[C@H]1OC(=O)/C=C\c1ccc(O)cc1 ZINC000136798861 GD Annotated Anodyne COC1=C(OC)C(=O)C([C@H]2COc3c(cc(OC)c(OC)c3O)C2)=CC1=O ZINC000136872128 GD Annotated Mild C[C@]1(C(=O)O)N=C2c3ncn(CCCc4ccccc4)c3N=CN2[C@](C)(O)[C@@H]1O ZINC000136997282 GD Annotated Anodyne COC1=C(OC)C(=O)C([C@H]2COc3c(cc(OC)c(O)c3OC)C2)=CC1=O ZINC000137013185 GD Annotated Mild O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000137078673 GD Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3cc(Cl)cc(Cl)c3)c(=O)c12 ZINC000137079215 GD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)C/C=C/[C@H]1C)O2 ZINC000137297231 GD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@@H]2C=C[C@@H](O)[C@@H](COC(=O)C/C=C/[C@H]1C)O2 ZINC000137298190 GD Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@H](C)O3)[C@H]12 ZINC000137711914 GD Annotated Mild CO[C@@]12C[C@@H]3[C@H]([C@@H]1N(C)C(=O)N2C)N(C)C(=O)c1ccc(Br)n13 ZINC000137727336 GD Annotated Anodyne C/C=C1\C(=O)OC=C2C(=O)OCC[C@@H]3C(=COC(=O)/C3=C\C)C(=O)OCC[C@H]21 ZINC000137755252 GD Annotated Anodyne C/C1=C/C(=O)O[C@@H]2CC[N+]3(CCl)CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 ZINC000137925038 GD Annotated Reactive Cn1ncc(N2CCN(C(=O)[C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]34)CC2)cc1=O ZINC000137934894 GD Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[P@](=O)(c3ccccc3)[C@@H](O)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000138089490 GD Annotated Anodyne NS(=O)(=O)c1cc2c(cc1Cl)N[C@H]([C@@H]1C[C@@H]3C=C[C@@H]1C3)NS2(=O)=O ZINC000138459826 GD Annotated Anodyne in-man NS(=O)(=O)c1cc2c(cc1Cl)N[C@H]([C@H]1C[C@@H]3C=C[C@@H]1C3)NS2(=O)=O ZINC000138459943 GD Annotated Anodyne in-man C=C(C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@H]12)[C@@H](O)CO ZINC000138510827 GD Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\C[C@@H]3O[C@]3(COC(=O)C=C(C)C)[C@H](O)C[C@H]12 ZINC000138643861 GD Annotated Mild COc1ccc2c(c1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)C(=O)C3 ZINC000138683786 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@]1(OO)C=C[C@@](C)(O)[C@H]21 ZINC000138824780 GD Annotated Reactive C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@@H]1[C@]4(C(=O)OC)[C@H](O)O2 ZINC000139192010 GD Annotated Anodyne C[C@@H]1C[C@@H](O)[C@]23COC(=O)[C@@]1(C[C@H](O)c1ccoc1)[C@H]2CC[C@H](O)[C@]31CO1 ZINC000139293057 GD Annotated Anodyne CC(=O)O[C@@]1(C)C(=O)OC[C@H]2CCN3CC[C@@H](OC(=O)/C=C(/C)C[C@H]1C)[C@@H]23 ZINC000139334211 GD Annotated Anodyne CC(=O)O[C@@]1(C)C(=O)OC[C@H]2CC[N+]3([O-])CC[C@@H](OC(=O)/C=C(/C)C[C@H]1C)[C@@H]23 ZINC000139442838 GD Annotated Bother O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC(CO)C1 ZINC000139664006 GD Annotated Anodyne C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1C(=O)[C@]1(CO)O[C@@H]1C2=O ZINC000139896833 GD Annotated Mild CN(C)CCCN1C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N=C1O ZINC000014192336 GD Annotated Mild N#Cc1cc(C(=O)c2ccccc2O)cn(-c2ccc(S(N)(=O)=O)cc2)c1=O ZINC000014244703 GD Annotated Anodyne COC1=CC(=O)[C@]2(CC[C@]34C(OC)=C(OC)C(=O)C[C@]23CCN4C)C[C@@H]1O ZINC000014413751 GD Annotated Mild COc1c(OC[C@H](O)[C@@](C)(O)C[C@@H]2C[C@@H](C)C(=O)O2)ccc2ccc(=O)oc12 ZINC000014422405 GD Annotated Anodyne COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(O)c1O ZINC000014437811 GD Annotated Clean Cc1cc2c(c3c1CC=C([C@@](O)(CO)[C@@H]1CO1)O3)C(=O)c1c(O)cccc1C2=O ZINC000014442084 GD Annotated Clean O=C(OC[C@]1(O)C(=O)C=C[C@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000014489530 GD Annotated Mild CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@H](O)C(CO)=C[C@H]2O ZINC000140081159 GD Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC(CO)CO)cn1 ZINC000141316207 GD Annotated Anodyne Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 ZINC000141390750 GD Annotated Anodyne Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)N2CCOCC2)cn1 ZINC000141390949 GD Annotated Anodyne CC[C@H]1C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000141490725 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 ZINC000141584213 GD Annotated Reactive in-man O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000141649023 GD Annotated Bother COCCS(=O)(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 ZINC000141948469 GD Annotated Anodyne CC(=O)c1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N ZINC000142161039 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@](O)(C(=O)/C=C/C)[C@@H](C)[C@@H]3O[C@@H]3[C@@H]12 ZINC000142205237 GD Annotated Mild CCN/C(=N\S(=O)(=O)c1ccc2[nH]ccc2c1)N1CC2(C=N1)CCNCC2 ZINC000142241998 GD Annotated Mild Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC[C@@H](O)CO)cn1 ZINC000142312366 GD Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC[C@H](O)CO)cn1 ZINC000142312574 GD Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@@H](CO)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 ZINC000142684070 GD Annotated Clean COC(=O)C1=CO[C@@H](C)[C@@H](CO)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 ZINC000142684290 GD Annotated Clean Cc1noc(-c2cnn3c(=O)cc(-c4ccc5c(cnn5C5COC5)c4)[nH]c23)n1 ZINC000142755099 GD Annotated Anodyne CC(C)(O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142856165 GD Annotated Anodyne CC(C)(O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142856378 GD Annotated Anodyne CC[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142887878 GD Annotated Anodyne CC[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142888102 GD Annotated Anodyne CC[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142888289 GD Annotated Anodyne CC[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142888475 GD Annotated Anodyne CN(C)CCN(C)S(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000142906886 GD Annotated Anodyne CN1CC[C@@H](CNS(=O)(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 ZINC000142930631 GD Annotated Anodyne CN1CC[C@H](CNS(=O)(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 ZINC000142930848 GD Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(CCCCO)ccc1-2 ZINC000142936248 GD Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OCCF)ccc1-2 ZINC000142944438 GD Annotated Anodyne C[C@@H](O)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142952162 GD Annotated Anodyne C[C@H](O)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142952361 GD Annotated Anodyne COCCCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142985658 GD Annotated Anodyne COCCCc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142986327 GD Annotated Anodyne COCCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143006140 GD Annotated Anodyne O[C@@H]1O[C@H](c2ccc3c(c2)OCO3)[C@@]2(O)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000143157329 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCc3c[nH]nn3)c2c1=O ZINC000143220977 GD Annotated Anodyne CN1CC[C@]23C(=O)C[C@@]4(O)C(=CCO[C@H]5CC(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 ZINC000143244316 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C4CCNCC4)cc3)nc(NCCO)c2c1=O ZINC000143363979 GD Annotated Anodyne C[C@H](N)c1ccc(-c2cc3ncn(C)c(=O)c3c(N3CC[C@H](CO)C3)n2)cc1 ZINC000143412218 GD Annotated Anodyne CN(CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ncncc2F)cc(=O)n1C ZINC000143436940 GD Annotated Bother COCCN1C(=O)[C@]2(N=C1N)c1cc(C#N)ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1 ZINC000143438392 GD Annotated Anodyne O=C(NC(CO)CO)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 ZINC000143499378 GD Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@@]23C(=O)C[C@@H](O)CCC[C@H](O)/C=C/[C@H]2[C@@H]2O[C@@H]2[C@@H](C)[C@@H]13 ZINC000143575906 GD Annotated Anodyne C[C@@H](N)c1ccc(-c2cc3ncn(C)c(=O)c3c(N3CC[C@H](CO)C3)n2)cc1 ZINC000143595245 GD Annotated Anodyne O=C(N[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(N4CCNCC4)o3)nc12 ZINC000143645105 GD Annotated Anodyne COC(=O)C1=CNC[C@H]2[C@@H]1C[C@H](OC(=O)C1=CN[C@@H](C)c3cnccc31)[C@@H]2C ZINC000143780183 GD Annotated Anodyne C[C@@]1(O)CC[C@@H](c2c(O)cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)CO1 ZINC000144030741 GD Annotated Clean CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(N3CC[C@H]3C(N)=O)cc1OCC2 ZINC000144054117 GD Annotated Anodyne Cc1cn(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C ZINC000144077740 GD Annotated Anodyne Cc1ccc2c(c1)nc(CCNC(=O)c1c(C(=O)N3CCC3)cnn1C)n2C ZINC000144080926 GD Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)no1 ZINC000144088119 GD Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCn1ccc(-c2ccccc2)n1 ZINC000144089620 GD Annotated Anodyne Cn1nc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C ZINC000144091955 GD Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1csc(-c2ncccn2)n1 ZINC000144092152 GD Annotated Anodyne Cn1cc(-c2cccnc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C ZINC000144092783 GD Annotated Anodyne Cn1ncc(C(=O)N2CCCC2)c1C(=O)NCCc1nc2ccccc2n1C ZINC000144098136 GD Annotated Anodyne Cn1cc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)nnn1C ZINC000144098363 GD Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000144101177 GD Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000144106050 GD Annotated Anodyne Cc1nc(-c2ccccc2)nn1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C ZINC000144109032 GD Annotated Anodyne CN(C(=O)c1cnn(C)c1C(=O)NCCc1nc2ccccc2n1C)C1CC1 ZINC000144109695 GD Annotated Anodyne NC(=O)c1n[nH]c2c1CN([C@H]1CCO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000144195279 GD Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(OC)cc21 ZINC000144242102 GD Annotated Anodyne C[C@@H](c1ccn2nccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21 ZINC000144272085 GD Annotated Anodyne CNC(=O)N1CC(NC(=O)c2cnc(N)c3nc(-c4cccc(F)c4)ccc23)C1 ZINC000144769233 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@H]3CCC[C@H]3O)c2c1=O ZINC000144799230 GD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@H]3CCC[C@@H]3O)c2c1=O ZINC000144799431 GD Annotated Anodyne CN(CCOc1cnc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO ZINC000144835807 GD Annotated Anodyne Cc1[nH]n(C)c(=O)c1C(=O)c1ccc(S(C)(=O)=O)c(C2=NOCC2)c1Cl ZINC000144835981 GD Annotated Anodyne CN(CCOc1cnc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO ZINC000144836013 GD Annotated Anodyne O=C(c1cc(CO)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1 ZINC000144918421 GD Annotated Anodyne O=C(c1cc(CO)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1 ZINC000144918634 GD Annotated Anodyne CN1CCc2cc3c(cc2[C@]12OC(=O)c1c(ccc4c1OCO4)C2=O)OCO3 ZINC000014513960 GD Annotated Anodyne C[N+]1([O-])CCc2cc3c(cc2[C@@]12OC(=O)c1c(ccc4c1OCO4)C2=O)OCO3 ZINC000014513962 GD Annotated Mild COc1cc(C)c2c(c1C)Oc1c(c(CO)c(O)c3c1[C@H](O)OC3=O)OC2=O ZINC000014514371 GD Annotated Anodyne C=CCn1nc(C(=O)OCC)c2c1CCN(C(=O)c1cc3ncccn3n1)C2 ZINC000014532420 GD Annotated Mild O=C1C[C@H](c2ccccc2)NCC[C@]2(O)CN(CCCN1)C(=O)c1ccccc12 ZINC000014559260 GD Annotated Anodyne CC(C)=C1C[C@@]2(O)[C@@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@]32O)C1(C)C ZINC000014560027 GD Annotated Mild in-man endogenous CC(C)=C1C[C@@]2(O)[C@@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@@]32O)C1(C)C ZINC000014560030 GD Annotated Mild in-man endogenous CC(C)=C1C[C@]2(O)[C@@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@]32O)C1(C)C ZINC000014560033 GD Annotated Mild in-man endogenous CC(C)=C1C[C@]2(O)[C@@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@@]32O)C1(C)C ZINC000014560035 GD Annotated Mild in-man endogenous COC(=O)C1=CC(OC)=C(Cl)C(=O)[C@]12OC(=O)c1c(O)cc(C)cc1O2 ZINC000014585652 GD Annotated Mild COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@]1(C)O[C@@H](C(=O)O)C[C@H]3O1 ZINC000014587341 GD Annotated Mild COCc1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1CS(C)(=O)=O ZINC000014589684 GD Annotated Anodyne CC[C@@]12C[C@@](O)(C(=O)OC)C3=Nc4ccccc4[C@@]34CCN(C(=O)[C@@H]3O[C@@H]31)[C@@H]24 ZINC000014589973 GD Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2C(=O)N3CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 ZINC000014594517 GD Annotated Anodyne COc1cc([C@@H]2Oc3ccc(NC=O)c4c3[C@@H]2C(=O)NCCC4=O)ccc1O ZINC000014610295 GD Annotated Anodyne CC(=O)N1c2ccccc2[C@]23CCN(C)[C@H]2C[C@H]2C4=C(COC4=O)OC[C@H]2[C@H]13 ZINC000014611877 GD Annotated Anodyne in-vitro biogenic CC(=O)N1c2c(O)cccc2[C@]23CCN(C)[C@H]2C[C@H]2C4=C(COC4=O)OC[C@H]2[C@H]13 ZINC000014611879 GD Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@H](O1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2 ZINC000014613599 GD Annotated Clean COC1=C[C@@H](C)[C@@H]2C[C@@H]3O[C@@H](O)C[C@@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000014613621 GD Annotated Mild in-man endogenous COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@@H](O)C[C@@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000014613622 GD Annotated Mild in-man endogenous COC1=C[C@@H](C)[C@H]2C[C@@H]3O[C@@H](O)C[C@@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000014613623 GD Annotated Mild in-man endogenous COC1=C[C@H](C)[C@H]2C[C@@H]3O[C@@H](O)C[C@@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000014613624 GD Annotated Mild in-man endogenous C=C1[C@@H](O)[C@@H](O)[C@@H]2[C@@]3(C)C(=O)C(OC)=C[C@H](C)[C@@H]3C[C@@H]3OC(=O)C[C@H]1[C@]32C ZINC000014613654 GD Annotated Mild in-man endogenous C=C1[C@@H](O)[C@@H](O)[C@@H]2[C@@]3(C)C(=O)C(OC)=C[C@@H](C)[C@H]3C[C@@H]3OC(=O)C[C@H]1[C@]32C ZINC000014613655 GD Annotated Mild in-man endogenous C=C1[C@@H](O)[C@@H](O)[C@@H]2[C@@]3(C)C(=O)C(OC)=C[C@H](C)[C@H]3C[C@@H]3OC(=O)C[C@H]1[C@]32C ZINC000014613656 GD Annotated Mild in-man endogenous C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1=NCCNN1C3=O ZINC000014614237 GD Annotated Anodyne CC(=O)O[C@@H]1c2c(ccc3c2OCO3)[C@@H](O)[C@@]12NCCc1cc3c(cc12)OCO3 ZINC000014616132 GD Annotated Anodyne CC(=O)O[C@H]1c2c(ccc3c2OCO3)[C@@H](O)[C@@]12NCCc1cc3c(cc12)OCO3 ZINC000014616133 GD Annotated Anodyne CC(=O)O[C@H]1c2c(ccc3c2OCO3)[C@H](O)[C@@]12NCCc1cc3c(cc12)OCO3 ZINC000014616135 GD Annotated Anodyne in-vitro biogenic C[C@]12CC[C@](C(=O)O)(O1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2 ZINC000014635853 GD Annotated Clean COc1cc2c(cc1OC)C(=O)[C@]1(O)c3ccc(OC)c(OC)c3C(=O)N1CC2 ZINC000014636303 GD Annotated Anodyne CCOC(=O)Cc1c2c3c(cc(O)c(O)c3oc1=O)C(=O)O[C@H]2C(=O)OCC ZINC000014655793 GD Annotated Clean CO[C@@]12CC(O)=C(C(C)=O)C(=O)[C@@]1(C)c1c(O)c(C(C)=O)c(O)c(C)c1O2 ZINC000014658882 GD Annotated Mild CO[C@@]12CC(O)=C(C(C)=O)C(=O)[C@]1(C)c1c(O)c(C(C)=O)c(O)c(C)c1O2 ZINC000014658888 GD Annotated Mild COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3cc(OC)c(OC)cc3C(=O)N1CC2 ZINC000014679201 GD Annotated Anodyne CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1c(O)ccc(O)c1C3=O ZINC000014686602 GD Annotated Clean CC[C@@H]1C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1c(O)ccc(O)c1C3=O ZINC000014686610 GD Annotated Clean COc1cc(C(=O)c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2ccc(O)cc2)ccc1O ZINC000014687348 GD Annotated Anodyne COc1cc(-c2c(C(=O)c3ccc(O)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)ccc1O ZINC000014687350 GD Annotated Anodyne Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H](C(Cl)(CO)CO)O3 ZINC000014689088 GD Annotated Bother in-man endogenous Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H](C(Cl)(CO)CO)O3 ZINC000014689090 GD Annotated Bother in-man endogenous COC(=O)C1=CNC(=O)[C@H]2[C@@H]1C[C@H](OC(=O)c1cnc(C)c3cnccc13)[C@@H]2C ZINC000014691985 GD Annotated Anodyne COc1c(O)c2c3c(c(O)cc(C)c3c1O)C(=O)[C@](O)(C(C)(C)C(C)=O)C2=O ZINC000014693255 GD Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc([C@H](O)[C@@H](O)CO)cc3[C@@H]2CO)ccc1O ZINC000014710221 GD Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(OC)cc([C@H](O)[C@@H](O)CO)cc3[C@@H]2CO)ccc1O ZINC000014710225 GD Annotated Anodyne in-vitro biogenic COc1cc(C)c2c(c1CO)Oc1c(c(C)c(O)c3c1[C@H](O)OC3=O)OC2=O ZINC000014715892 GD Annotated Anodyne COc1cc(C)c2c(c1CO)Oc1c(c(C)c(O)c3c1[C@@H](O)OC3=O)OC2=O ZINC000014715894 GD Annotated Anodyne C=C(CO)[C@H]1CC2=CC(=O)[C@@H]3C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]3(C)[C@@H]2[C@@H](O)C1 ZINC000014725006 GD Annotated Mild in-vitro biogenic C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000014727742 GD Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000014727743 GD Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000014727744 GD Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000014727745 GD Annotated Anodyne in-man CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C)CC(=O)O[C@@]31CCC(=O)[C@]21CO1 ZINC000014765346 GD Annotated Anodyne COc1ccc2c(c1O)C(=O)O[C@@]1(C2=O)c2cc3c(cc2CCN1C)OCO3 ZINC000014768426 GD Annotated Anodyne C[N+]1(C)CCc2cc3c(cc2[C@@]12OC(=O)c1c(ccc(O)c1O)C2=O)OCO3 ZINC000014768432 GD Annotated Mild COC(=O)/C(=C1\OC(=O)C(c2ccc(O)c(O)c2)=C1O)c1ccc(O)c(O)c1 ZINC000014827618 GD Annotated Clean CC[C@@]12C[C@@]3(C(=O)OC)O[C@@H]1[C@@H](O)CN1CCc4c(n3c3cc(OC)ccc43)[C@@H]12 ZINC000014829364 GD Annotated Anodyne CC(=O)O[C@@H]1c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](O)[C@@H]2O[C@@]21C ZINC000014851604 GD Annotated Clean CC1(C)C=CN2C(=O)[C@]3(O)CCCN3C(=O)[C@@H]2C[C@@]12Nc1ccccc1C2=O ZINC000014858271 GD Annotated Anodyne COc1cc(C[C@]23C[C@@H]4CC(=O)[C@@]2(O)C[C@@](c2ccccc2)(O4)O3)oc(=O)c1 ZINC000014884339 GD Annotated Anodyne O[C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@]1(O)CO[C@H]2c1ccc2c(c1)OCO2 ZINC000014884740 GD Annotated Anodyne O[C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@]1(O)CO[C@@H]2c1ccc2c(c1)OCO2 ZINC000014884744 GD Annotated Anodyne C[C@@]1(O)C[C@@H](C[C@@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000014927528 GD Annotated Anodyne C[C@@]1(O)C[C@H](C[C@@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000014927530 GD Annotated Anodyne CC(C)c1s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)c1C(N)=O ZINC000014944867 GD Annotated Bother CN(C)S(=O)(=O)c1ccc(-n2nc(C(N)=O)c3ccc4[nH]ncc4c32)cc1 ZINC000014945781 GD Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c21 ZINC000014947116 GD Annotated Mild in-vivo Cc1nc2ccc(S(N)(=O)=O)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O ZINC000014947212 GD Annotated Anodyne CC(=O)O[C@@H]1C(C)=CC[C@@]2([C@H]1OC(C)=O)[C@H]1[C@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000014950035 GD Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C(C)=CC[C@@]2([C@H]1OC(C)=O)[C@H]1[C@@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000014950038 GD Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C(C)=CC[C@]2([C@H]3[C@H](C)COC(=O)[C@H]3O[C@@]2(C)O)[C@H]1OC(C)=O ZINC000014950040 GD Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C(C)=CC[C@@]2([C@H]1OC(C)=O)[C@@H]1[C@H](O[C@@]2(C)O)C(=O)OC[C@@H]1C ZINC000014950043 GD Annotated Anodyne in-man endogenous C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1(C)CCN(c2ccc(C#N)cn2)CC1 ZINC000014950340 GD Annotated Mild C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1(C)CCN(c2ccc(C(=O)O)cn2)CC1 ZINC000014950343 GD Annotated Mild CC(C)(CNS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O ZINC000014960743 GD Annotated Mild NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(CO)CCCC3)cc12 ZINC000014960847 GD Annotated Mild C[C@@H]1CC(=O)[C@@]23CO[C@@H](O)[C@@H]2C[C@@H](O)C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000014970821 GD Annotated Anodyne C=CCN1C(=O)C[C@]2(C1=O)C(=O)N(CCCC(=O)O)c1ccc(Cl)cc12 ZINC000014976530 GD Annotated Mild C=CCN1C(=O)C[C@@]2(C1=O)C(=O)N(CCCC(=O)O)c1ccc(Cl)cc12 ZINC000014976533 GD Annotated Mild COCCCNc1nc2nonc2nc1N1CCCN(C2CCCC2)CC1 ZINC000014976905 GD Annotated Anodyne CN(Cc1ccon1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 ZINC000014981495 GD Annotated Anodyne CN(Cc1ccon1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 ZINC000014981497 GD Annotated Anodyne NCCNc1ccc2c(c1)nc(Cc1ccc3c(c1)OCO3)n1nc(N)nc21 ZINC000145002353 GD Annotated Anodyne CC[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000145402172 GD Annotated Anodyne C=CC[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000145402991 GD Annotated Anodyne C=CC[C@@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000145404855 GD Annotated Anodyne COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H](CCF)C(=O)NO)cc1 ZINC000145414201 GD Annotated Anodyne CC[C@@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000145419200 GD Annotated Anodyne COc1cc(/C=C2/C(=O)[C@H]3C[C@@]45CCO[C@@H]2[C@@]4(COC5=O)O3)cc(OC)c1O ZINC000145665755 GD Annotated Mild NC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)nsc1NC(=O)N1CCCC1=O ZINC000145712460 GD Annotated Anodyne C=CCN(CC(=O)O)C(=O)CCc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1 ZINC000145961800 GD Annotated Mild C[C@@H]1[C@@H](O)[C@@H]2OCC3=CCC[C@H]([C@]1(C[C@H](O)c1ccoc1)C(=O)O)[C@]32CO ZINC000146281522 GD Annotated Anodyne CN1CCC(N2CCC(Oc3nc(-c4ccncn4)cc(=O)n3C)CC2)CC1 ZINC000146521710 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1 ZINC000146599537 GD Annotated Mild Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)c(F)c3F)cn2)n1 ZINC000146621096 GD Annotated Anodyne C=C(CCO)C(=O)O[C@H]1C[C@]2(C)[C@H]([C@@H](C=O)CC[C@H]2O)[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000147266235 GD Annotated Mild C=C(CCO)C(=O)O[C@H]1C[C@]2(C)[C@H]([C@H](C=O)CC[C@H]2O)[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000147266453 GD Annotated Mild C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12)[C@H](O)CO ZINC000147523686 GD Annotated Mild NC1=N[C@@]23CCCN2C(=O)c2c([nH]c(Br)c2Br)[C@H]3N1 ZINC000147808111 GD Annotated Anodyne C/C=C1/CN2[C@H]3Cc4c(n(C)c5ccccc45)[C@]2(O)C[C@@H]1[C@@]3(CO)C(=O)OC ZINC000147834273 GD Annotated Anodyne C[C@@H]1O[C@]1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@@](O)(C(C)(C)O)C[C@H]2[C@]1(C)O ZINC000148004088 GD Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)c(OS(=O)(=O)O)c(O)c1C2=O ZINC000148005434 GD Annotated Clean CC1=C(C)[C@H]2[C@H](C)NC(=O)[C@]23C(=O)C[C@H](O)[C@]2(C)O[C@@H]2[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000148017005 GD Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@H]3O[C@@]3(C)[C@@H](O)CC(=O)[C@]23C(=O)N[C@@H](C)[C@@H]3[C@@H]1C ZINC000148017209 GD Annotated Mild CCCCC/C=C/C1=C(CO)[C@@H]2OC(C)(C)[C@@H](O)C[C@]2(O)[C@@H]2OC(=O)O[C@H]12 ZINC000148042075 GD Annotated Anodyne Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(N2CCNCC2)nc1 ZINC000148078071 GD Annotated Anodyne O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN3CCNCC3)c1c2O ZINC000148259560 GD Annotated Clean CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)NO ZINC000148660679 GD Annotated Anodyne in-vitro CC1(C)OC[C@H]([C@H]2O[P@@](=O)(c3ccccc3)[C@@H](O)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000148848777 GD Annotated Anodyne C[C@H](Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)OS(=O)(=O)O ZINC000148939427 GD Annotated Clean Cc1ncnc(N2CCN(C(=O)C3CCC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149162667 GD Annotated Mild Cc1ncnc(N2CCN(C(=O)c3ccno3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149162943 GD Annotated Mild Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)n1 ZINC000149170072 GD Annotated Anodyne Cc1ncn(C2=NCC(=O)N3CCc4c(cccc4-c4cnc(F)cn4)C3=C2)n1 ZINC000149191287 GD Annotated Anodyne COCc1cnn(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 ZINC000149213379 GD Annotated Anodyne COCc1cnn(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 ZINC000149213554 GD Annotated Anodyne CCc1ncnc(N2CCN(C(=O)C3CC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149215872 GD Annotated Mild Cn1cc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)cn1 ZINC000149220950 GD Annotated Anodyne CCc1ncnc(N2CCN(C3CCOCC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149227162 GD Annotated Mild Cc1ncnc(N2CCC3(CCN(C)C3=O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149231317 GD Annotated Mild CCc1ncnc(N2CCC3(CCNC3=O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149265139 GD Annotated Mild CCc1ncnc(N2CCN(c3ncccn3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149266398 GD Annotated Mild CCc1ncnc(N2CCn3c(COC)nnc3C2)c1C#Cc1ccc(N)nc1 ZINC000149269291 GD Annotated Mild CCc1ncnc(N2CCC3(CCN(C)C3=O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149292299 GD Annotated Mild CCc1ncnc(N2CCN(CC(C)(C)O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149471069 GD Annotated Mild CS[C@@H]1COC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C ZINC000149511837 GD Annotated Anodyne CS[C@H]1COC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C ZINC000149512028 GD Annotated Anodyne CS[C@@H]1COC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C ZINC000149512222 GD Annotated Anodyne CS[C@H]1COC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C ZINC000149512380 GD Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cnccn2)cnn1C ZINC000149699624 GD Annotated Anodyne N#Cc1cnc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(F)c3)cn2)cn1 ZINC000149848223 GD Annotated Anodyne N[C@H]1CCN(Cc2c[nH]c3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1 ZINC000149849138 GD Annotated Clean C[C@H](c1ccn2nccc2c1)n1nnc2ncc(-c3cnn(CCO)c3)nc21 ZINC000149917879 GD Annotated Anodyne NC(=O)c1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(Cl)n1 ZINC000149969154 GD Annotated Anodyne N[C@@H](Cc1nc2cc(Cl)c(Cl)cc2nc1CP(=O)(O)O)C(=O)O ZINC000001533934 GD Annotated Anodyne N[C@@H](Cc1nc2c(Cl)ccc(Cl)c2nc1CP(=O)(O)O)C(=O)O ZINC000001533939 GD Annotated Anodyne O=C(O)CNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O ZINC000001534881 GD Annotated Anodyne C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)c(O)c1)C(F)(F)F ZINC000001535221 GD Annotated Anodyne C=CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(CC=C)c1=O ZINC000001537485 GD Annotated Mild C[C@H](SC(=O)c1cccs1)C(=O)NCC(=O)N1CSC[C@@H]1C(=O)O ZINC000001537725 GD Annotated Anodyne C[C@H](NC(=O)Cc1cccs1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21 ZINC000001553177 GD Annotated Anodyne COc1ccc(/C=c2/sc3n(c2=O)N[C@H](c2ccc(Cl)cc2)NN=3)cc1 ZINC000001617417 GD Annotated Anodyne COc1ccc(/C=c2/sc3n(c2=O)N[C@@H](c2ccc(Cl)cc2)NN=3)cc1 ZINC000001617419 GD Annotated Anodyne CN(C)c1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2=O ZINC000001620895 GD Annotated Mild CCOC(=O)[C@]12CCC[C@]1(O)N(NC(=O)c1ccccc1)C(C)=C2C(=O)OC ZINC000001620911 GD Annotated Anodyne O=C(CCn1[nH]c(=O)c(Cl)c(Cl)c1=O)NOCCCc1ccccc1 ZINC000001623186 GD Annotated Anodyne C[C@@H]1O[C@H](n2cc(Cl)c(=O)[nH]c2=O)C=C(OC(=O)c2ccccc2)C1=O ZINC000001623718 GD Annotated Mild C[C@H]1O[C@H](n2cc(Cl)c(=O)[nH]c2=O)C=C(OC(=O)c2ccccc2)C1=O ZINC000001623719 GD Annotated Mild C[C@@H]1O[C@@H](n2cc(Cl)c(=O)[nH]c2=O)C=C(OC(=O)c2ccccc2)C1=O ZINC000001623720 GD Annotated Mild C[C@H]1O[C@@H](n2cc(Cl)c(=O)[nH]c2=O)C=C(OC(=O)c2ccccc2)C1=O ZINC000001623721 GD Annotated Mild CN(c1ccc(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1)S(C)(=O)=O ZINC000001623911 GD Annotated Anodyne COC(=O)C1=C(C)N(NC(=O)c2cccc(Cl)c2)[C@](C)(O)[C@@]12CCOC2=O ZINC000001625359 GD Annotated Anodyne Cc1ccc([N+](=O)[O-])c2c(NCCNC(=O)Cn3ccnc3[N+](=O)[O-])ccnc12 ZINC000001629580 GD Annotated Bother COc1c(O)c2c3c(c(C)cc(O)c3c1O)C(=O)[C@](O)(C(C)(C)C(C)=O)C2=O ZINC000001635323 GD Annotated Anodyne Nc1ccc([C@H]2SCC(=O)N2NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 ZINC000001642139 GD Annotated Anodyne COc1c2nc(CCl)n(C)c(=O)c2c(OC)c2c(=O)n(C)c(CCl)nc12 ZINC000001645814 GD Annotated Reactive CCOP(=O)(C/C=C/Cn1nc(Br)c(=O)[nH]c1=O)OCC ZINC000001647367 GD Annotated Anodyne CN1C(=O)N/C(=C\c2ccc(S(=O)(=O)N/N=C/c3ccccc3)cc2)C1=O ZINC000001649586 GD Annotated Mild NS(=O)(=O)c1ccc(/N=C2\NC[C@@H](CI)S2)cc1 ZINC000001649992 GD Annotated Reactive CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ncsc1C2=O ZINC000001650461 GD Annotated Clean N#Cc1c(-c2ccccc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1O ZINC000001650968 GD Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2c(O)n[nH]c2C[C@@]1(O)OCC ZINC000001653573 GD Annotated Anodyne C=CCOc1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@@H]2C(=O)OC)cc1OC ZINC000001653576 GD Annotated Anodyne COc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCC(=O)N4)CC2)cc1OC ZINC000001653927 GD Annotated Anodyne CN(C)C(=O)C(F)(F)[C@H](c1ccc(F)cc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000001654931 GD Annotated Anodyne Cc1ccc([C@H](C2C(=O)N(C)C(=O)N(C)C2=O)C(F)(F)C(=O)N(C)C)cc1 ZINC000001654934 GD Annotated Anodyne COc1ccc([C@H](C2C(=O)N(C)C(=O)N(C)C2=O)C(F)(F)C(=O)N(C)C)cc1 ZINC000001654935 GD Annotated Anodyne C=Cc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=C2O[C@H](C(=O)OC)C(=O)N21 ZINC000001655176 GD Annotated Anodyne C=Cc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=C2O[C@H](C(=O)OC)C(=O)N21 ZINC000001655177 GD Annotated Anodyne C=Cc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=C2O[C@@H](C(=O)OC)C(=O)N21 ZINC000001655178 GD Annotated Anodyne C=Cc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=C2O[C@@H](C(=O)OC)C(=O)N21 ZINC000001655179 GD Annotated Anodyne OCCOCn1cc(Cn2ncc3c(SCc4ccccc4)ncnc32)nn1 ZINC000001658540 GD Annotated Anodyne OCCOCn1nncc1Cn1ncc2c(SCc3ccccc3)ncnc21 ZINC000001658549 GD Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000001662899 GD Annotated Anodyne COC(=O)/N=c1\[nH]c2ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OC)cc2[nH]1 ZINC000001663035 GD Annotated Anodyne CC[C@]12C[C@]3(C(=O)OC)O[C@H]1[C@H](O)CN1CCc4c(n3c3cc(OC)ccc43)[C@H]12 ZINC000001678498 GD Annotated Anodyne CC(=O)Nc1nc(=O)c2nc(CCN(C)c3ccc(C(=O)O)cc3)cnc2[nH]1 ZINC000001721813 GD Annotated Anodyne CN1C(=O)C[C@](C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)(c2ccccc2)C1=O ZINC000001762649 GD Annotated Anodyne CC1=Nc2nc(CCCO)nn2[C@H](c2ccc(Br)cc2)[C@H]1C(N)=O ZINC000001795289 GD Annotated Anodyne O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 ZINC000001814086 GD Annotated Anodyne O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2cccnc2)[C@H]1C(=O)c1ccco1 ZINC000001814087 GD Annotated Anodyne CC(=O)NNC1=NN(C(C)=O)[C@]2(S1)C(=O)Nc1ccc(Br)cc12 ZINC000001857191 GD Annotated Reactive O=[N+]([O-])C(=C(N1CCOCC1)N1CCOCC1)/C(Cl)=C(\Cl)[N+](=O)[O-] ZINC000001860607 GD Annotated Anodyne CC(C)(CO)NC(=O)c1cccc(C(=O)NC(C)(C)CO)c1Br ZINC000001861616 GD Annotated Anodyne O=C(O)C[C@H]1CC(CNC(=O)CCCNC2=NCCN2)=CCc2ccccc21 ZINC000001909805 GD Annotated Anodyne O=C(O)C[C@H]1CC(CNC(=O)CCCNC2=NCCCN2)=CCc2ccccc21 ZINC000001909824 GD Annotated Anodyne Cc1cc(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)cc2c1C(=O)c1c(O)cccc1C2=O ZINC000015063190 GD Annotated Clean Cn1ccnc1CN1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1 ZINC000015064523 GD Annotated Anodyne Cc1nc(CN2CCN(c3nc4nonc4nc3N3CCCC3)CC2)cs1 ZINC000015065545 GD Annotated Anodyne CCN(CCN1CCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 ZINC000015065713 GD Annotated Anodyne CCN(CCN1CCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 ZINC000015065714 GD Annotated Anodyne O=C(CCn1cnnn1)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 ZINC000015065923 GD Annotated Anodyne O=C(CCn1cnnn1)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 ZINC000015065924 GD Annotated Anodyne Cc1nn(C)c(C)c1CN(C(=O)C[C@H]1C(=O)NCCN1CC(C)C)C(C)C ZINC000015078591 GD Annotated Anodyne Cc1nn(C)c(C)c1CN(C(=O)C[C@@H]1C(=O)NCCN1CC(C)C)C(C)C ZINC000015078593 GD Annotated Anodyne COc1cc2c(c(O)c1COC(=O)c1c(C)cc(O)c(C)c1O)C(=O)O[C@H]2O ZINC000015149115 GD Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@@H]12 ZINC000015149309 GD Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@@H]12 ZINC000015149313 GD Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12 ZINC000015149317 GD Annotated Bother COC(=O)C1=CO[C@@H](C)[C@@H](C=O)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 ZINC000015150267 GD Annotated Mild in-man COC(=O)C1=CO[C@H](C)[C@@H](C=O)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 ZINC000015150269 GD Annotated Mild in-man COC(=O)C1=CO[C@@H](C)[C@H](C=O)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 ZINC000015150271 GD Annotated Mild in-man COC(=O)C1=CO[C@H](C)[C@H](C=O)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 ZINC000015150273 GD Annotated Mild in-man COc1c(O)cc2c(=O)oc3c(O)c(OS(=O)(=O)O)cc4c(=O)oc1c2c34 ZINC000015150547 GD Annotated Bother C[C@]1(O)C[C@@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015157221 GD Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)(C[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@@]3([C@H]1O)[C@@H]2O ZINC000015167332 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000015167344 GD Annotated Mild in-vitro biogenic O=C(O)C1=Cc2cc(O)c(O)cc2[C@@H](c2cc(C(=O)O)oc(=O)c2)[C@@H]1C(=O)O ZINC000015203053 GD Annotated Clean C[C@@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015207573 GD Annotated Anodyne in-man C[C@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015207575 GD Annotated Anodyne in-man C[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015207578 GD Annotated Anodyne in-man C[C@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015207580 GD Annotated Anodyne in-man C=C1C[C@H](C[C@](C)(O)[C@@H](O)COc2ccc3ccc(=O)oc3c2O)OC1=O ZINC000015212082 GD Annotated Mild in-vitro biogenic COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@@H](O)[C@](C)(O)C[C@H]3O ZINC000015215809 GD Annotated Clean COc1cc2c(c(O)c1CSC[C@@H](NC(C)=O)C(=O)O)C(=O)C(C)=CC2=O ZINC000015215931 GD Annotated Mild CN(C)CCc1cc2c(cc1C[C@@]1(O)NC(=O)c3c1ccc1c3OCO1)OCO2 ZINC000015219803 GD Annotated Anodyne CC(=O)N[C@@H](COC(C)=O)CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2 ZINC000015248717 GD Annotated Anodyne in-man CC(=O)N[C@H](COC(C)=O)CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2 ZINC000015248720 GD Annotated Anodyne in-man CN1C(=O)C(=O)N2C(=C[C@]3(c4c[nH]c5ccccc45)c4ccccc4N[C@H]23)C1=O ZINC000015257926 GD Annotated Anodyne CCOC(=O)C1=C[C@]2(O)C(=O)C=C[C@H]1c1ccc3c(O)c(O)c(O)c(O)c3c12 ZINC000015263109 GD Annotated Mild O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@H]2CC(=O)[C@@]1(O)CO2)c1ccccc1 ZINC000015263354 GD Annotated Anodyne O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)[C@H]2CC(=O)[C@]1(O)CO2)c1ccccc1 ZINC000015263356 GD Annotated Anodyne CC(C)[C@H]1[C@@H](O)[C@@]2(O)OCCN3C(=O)C4=C5C3=C2[C@]1(C)CC[C@]5(C)CCC4=O ZINC000015265386 GD Annotated Mild C[C@@]12C[C@@H](O)[C@@H](O)CC1=CC[C@H]1C(=O)O[C@@H]3CO[C@]4(C)OC=C(CC[C@@H]12)[C@]34O ZINC000015267176 GD Annotated Anodyne in-vitro biogenic C[C@@H](O)C(=O)O[C@H](COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O ZINC000015273440 GD Annotated Anodyne CC#CC#C/C=C1/O[C@]2(CC[C@H](OC(C)=O)CO2)[C@@H](O)[C@@H]1OC(=O)CC(C)C ZINC000015274177 GD Annotated Mild O=C(c1cc2ncc(Br)cn2n1)N1CCc2[nH]c(=O)sc2CC1 ZINC000150165894 GD Annotated Anodyne Cn1cnc2c1CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2 ZINC000150190981 GD Annotated Anodyne CCCc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000150338607 GD Annotated Anodyne CCCc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 ZINC000150338608 GD Annotated Anodyne O=C(O)c1c(=O)c2cc(F)c(N3CC[C@H](O)C3)c3c2n2c(csc12)CO3 ZINC000150579885 GD Annotated Anodyne O=C(O)c1c(=O)c2cc(F)c(N3CC[C@@H](O)C3)c3c2n2c(csc12)CO3 ZINC000150579892 GD Annotated Anodyne C=C(CO)C(=O)O[C@H]1C[C@H](C)C(=O)C2=C(O)C(C)=CC(=O)[C@]21C(=C)C(=O)OC ZINC000153988333 GD Annotated Mild CCOC(=O)Cc1cc(O)n2nc(NCc3cccc(OC)c3OC)nc2n1 ZINC000015668953 GD Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3cc(OC)ccc3OC)nc2n1 ZINC000015668957 GD Annotated Anodyne CN1CCN(c2ncc3c(n2)CCN(Cc2ccc4c(c2)OCCO4)C3)CC1 ZINC000015779398 GD Annotated Anodyne CCN1CCN(c2ncc3c(n2)CCN(Cc2ccc4c(c2)OCCO4)C3)CC1 ZINC000015779450 GD Annotated Anodyne C=CCC1=CC=C/C(=C\NNC(=O)COc2ccc(-n3cnnn3)cc2)C1=O ZINC000015837255 GD Annotated Reactive Cn1cccc1-c1cc(C(=O)NN/C=C2\C=C(Br)C=CC2=O)[nH]n1 ZINC000015885159 GD Annotated Reactive C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccco1 ZINC000015905782 GD Annotated Reactive CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000015910415 GD Annotated Anodyne CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000015910417 GD Annotated Anodyne C[C@@H](CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)NC(=O)Cc1ccccc1 ZINC000015924787 GD Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)cc1 ZINC000015924838 GD Annotated Clean CS(=O)(=O)Nc1ccc(-c2cc(/C=C3/SC(=N)NC3=O)c[nH]c2=O)cc1 ZINC000015935002 GD Annotated Anodyne CC1CCN(C(=O)c2[nH]cnc2C(=O)NCC(=O)OCc2ccccc2)CC1 ZINC000015935515 GD Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(F)cc1)N1C(=O)c3ccccc3NC(=O)[C@@H]21 ZINC000015936656 GD Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@@H]3C(=O)Nc4ccccc4C(=O)N23)c1 ZINC000015936659 GD Annotated Anodyne Cc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@@H]3C(=O)Nc4ccccc4C(=O)N23)cc1 ZINC000015936661 GD Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1 ZINC000015937091 GD Annotated Anodyne CCN(CC)S(=O)(=O)c1cc(C(=O)/N=c2\sccn2C)ccc1OC ZINC000015940891 GD Annotated Anodyne CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000015941808 GD Annotated Anodyne CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000015941810 GD Annotated Anodyne CC(C)c1c(C(=O)NN/C=C2\C=Nc3ccccc32)nnn1-c1nonc1N ZINC000015952065 GD Annotated Reactive COC1=C/C(=C/NNC(=O)c2cncc(Br)c2)C=C([N+](=O)[O-])C1=O ZINC000015952517 GD Annotated Reactive COc1ccc([C@@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)N(C)C)cc1 ZINC000015952930 GD Annotated Anodyne COc1ccc([C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)N(C)C)cc1 ZINC000015952931 GD Annotated Anodyne Cc1cc(C)n(CC(=O)NN/C=C2\C=C(Br)C=C([N+](=O)[O-])C2=O)n1 ZINC000015953255 GD Annotated Reactive COCCn1c(N/N=C(C)\C=C\c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000015961625 GD Annotated Mild COc1ccc(C(=O)NCC(=O)NN/C=C2\C=NN=C2c2ccccc2)cc1 ZINC000015962143 GD Annotated Reactive C[C@]12C[C@H](c3ccccc3O1)[C@@H](/C(N)=N/NC(=O)c1ccc(F)cc1)C(=O)N2 ZINC000015973824 GD Annotated Reactive COC1=C/C(=C/NNC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)C=CC1=O ZINC000015973834 GD Annotated Reactive COc1ccc(Cc2nnc(NN/C=C3\C=CC(=O)C=C3O)nc2O)cc1OC ZINC000015974016 GD Annotated Mild Cc1ccc(C/N=c2\c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc1 ZINC000015974180 GD Annotated Bother Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccc2F)c1-c1cccs1 ZINC000015978542 GD Annotated Reactive Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccn2)c1-c1ccccc1 ZINC000015989877 GD Annotated Reactive C/C=C(\C)C(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@H]2O)OC1=O ZINC000157025757 GD Annotated Anodyne CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@@H]12 ZINC000016349495 GD Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5[C@H]3C4 ZINC000016889866 GD Annotated Anodyne OC([C@H]1O[C@H](c2ccccc2)OC[C@H]1O)[C@@H]1O[C@@H](c2ccccc2)OC[C@@H]1O ZINC000016891492 GD Annotated Anodyne OC([C@H]1O[C@H](c2ccccc2)OC[C@@H]1O)[C@@H]1O[C@@H](c2ccccc2)OC[C@@H]1O ZINC000016891495 GD Annotated Anodyne OC([C@H]1O[C@@H](c2ccccc2)OC[C@@H]1O)[C@@H]1O[C@@H](c2ccccc2)OC[C@@H]1O ZINC000016891499 GD Annotated Anodyne CN(c1ccc(-c2csc(CC(=O)N3CCOCC3)n2)cc1)S(C)(=O)=O ZINC000016940796 GD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H](C)CCC/C(CO)=C\[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12 ZINC000016955017 GD Annotated Mild C/C(=N\NC(=N)N)c1sc(-c2nc(C)c(/C(C)=N/NC(=N)N)s2)nc1C ZINC000016957800 GD Annotated Mild COc1cccc([C@H]2c3cc4c(cc3O[C@@H](NNC(N)=O)[C@@H]2C)OCO4)c1O ZINC000016958635 GD Annotated Reactive NC1=NN(c2ccccc2)[C@]2(O)c3ccncc3C3=NN(c4ccccc4)C(=O)[C@]132 ZINC000016958918 GD Annotated Anodyne CC(=O)O[C@H]1C2=C(C(=O)[C@H](O)[C@@]3(C[C@@H]3C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000165250910 GD Annotated Mild COC(=O)[C@]1(O)C[C@]23CCO[C@H]2CCN2CCc4c(n1c1c(OC)cccc41)[C@@H]23 ZINC000165718554 GD Annotated Anodyne COCCNC(=O)CCc1c(COC)c2cc(OC)c(O)c(C=O)c2oc1=O ZINC000166288358 GD Annotated Anodyne COCCS(=O)(=O)N1CCN(c2cc(-c3ncc(C)cc3C)ccn2)CC1 ZINC000166329640 GD Annotated Anodyne COc1cc2c(C)c(CCC(=O)N3CCOCC3)c(=O)oc2c(C=O)c1O ZINC000166478676 GD Annotated Anodyne C=C(C)[C@@H]1C/C=C2\C(=O)O[C@@H](C[C@]3(C)CC(=O)[C@](CO)(CC(=O)C1)O3)[C@@H]2O ZINC000166757558 GD Annotated Mild COc1ccc2c(c1O)N1C(=O)C[C@@H]3OCC=C4CN5CC[C@]26[C@@H]5C[C@@H]4[C@@H]3[C@H]16 ZINC000166877735 GD Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@@H](C=O)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1 ZINC000167045832 GD Annotated Mild in-man Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-n4cnnc4)C[C@H]3C2)n1 ZINC000167211202 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-n4cnnc4)C[C@@H]3C2)n1 ZINC000167211312 GD Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-n4cnnc4)C[C@H]3C2)n1 ZINC000167211415 GD Annotated Anodyne O=S(=O)(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 ZINC000168239232 GD Annotated Anodyne N#CCS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 ZINC000169204676 GD Annotated Mild CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000169291125 GD Annotated Anodyne CC1(C)[C@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000169291126 GD Annotated Anodyne Cc1ccc2c(c1)O[C@@H]1[C@H](NC(=O)CCN3CCN(C)CC3)C(=O)CC[C@@]21C ZINC000169292904 GD Annotated Anodyne C=C(C)[C@@H]1C[C@H]2O[C@](O)(C/C(C)=C/C(=O)/C=C(/C)C[C@@H]3OC(=O)[C@]24O[C@@H]34)[C@H]1O ZINC000169293034 GD Annotated Mild C=C(C)[C@@H]1C[C@H]2O[C@](O)(C/C(C)=C/C(=O)/C=C(\C)C[C@@H]3OC(=O)[C@]24O[C@@H]34)[C@H]1O ZINC000169293035 GD Annotated Mild C=C(C)[C@@H]1C[C@H]2O[C@](O)(C/C(C)=C\C(=O)/C=C(\C)C[C@@H]3OC(=O)[C@]24O[C@@H]34)[C@H]1O ZINC000169293036 GD Annotated Mild COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5[C@@H]3C4 ZINC000169293080 GD Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5[C@@H]3C4 ZINC000169293081 GD Annotated Anodyne N=C1N[C@@H]2[C@@H](/N=N/c3ccc(Br)cc3)C(=N)NN2c2[nH]nc(N)c21 ZINC000169294333 GD Annotated Clean Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H]2C)cc1 ZINC000169294392 GD Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169294507 GD Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1 ZINC000169294740 GD Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1 ZINC000169294741 GD Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)cc1 ZINC000169294742 GD Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)cc1 ZINC000169294743 GD Annotated Anodyne CSCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000169295586 GD Annotated Clean CSCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000169295587 GD Annotated Clean CSCC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000169295589 GD Annotated Clean CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)NC2CCCCCC2)[C@@H]3C1=O ZINC000169296241 GD Annotated Anodyne Nc1[nH]cnc2c([C@H]3N[C@@H](CSc4cccc(Cl)c4)[C@@H](O)[C@@H]3O)cnc1-2 ZINC000169296854 GD Annotated Anodyne Nc1[nH]cnc2c([C@H]3N[C@H](CSc4cccc(Cl)c4)[C@@H](O)[C@@H]3O)cnc1-2 ZINC000169296855 GD Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169297187 GD Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169297188 GD Annotated Anodyne CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169297189 GD Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169297704 GD Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169297707 GD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(F)c(C)c2)[C@@H]3C1=O ZINC000169298816 GD Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169299120 GD Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169299121 GD Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169299122 GD Annotated Anodyne CCOC(=O)[C@@]1(CCSC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169299545 GD Annotated Anodyne CCOC(=O)[C@]1(CCSC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169299546 GD Annotated Anodyne O=C(O)[C@@H]1SCCN1S(=O)(=O)c1ccc(/N=N\N2CCOCC2)cc1 ZINC000169299589 GD Annotated Clean COC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169299995 GD Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169299996 GD Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169299997 GD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C(=O)N4C[C@@H](CCC5=C2[C@@H]1CC5)[C@]3(CO)/C=C/C(=O)[C@H](C)C4 ZINC000169300277 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H](O)C[C@H]4C(C)(C)CC[C@@H](O)[C@]4(C)[C@@H]2C[C@@H](OC(C)=O)[C@H]1[C@H]3O ZINC000169300454 GD Annotated Mild NCC[C@H]1CN([C@@H]2N=C3c4c(O)cccc4C(=O)c4cccc(c43)O2)CCO1 ZINC000169300813 GD Annotated Clean COC(=O)[C@@]1(CO)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169301611 GD Annotated Anodyne COC(=O)[C@]1(CO)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169301612 GD Annotated Anodyne COC(=O)[C@@]1(CO)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169301613 GD Annotated Anodyne C/C(CC(=O)c1ccccc1)=N\[C@@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1 ZINC000169302221 GD Annotated Reactive C/C(CC(=O)c1ccccc1)=N\[C@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1 ZINC000169302223 GD Annotated Reactive CCN1CCN(Cc2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)CC1 ZINC000169302601 GD Annotated Bother C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCCN1CCOCC1 ZINC000169303735 GD Annotated Anodyne C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCCN1CCOCC1 ZINC000169303736 GD Annotated Anodyne CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1CCCN1CCOCC1 ZINC000169305496 GD Annotated Anodyne CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1CCCN1CCOCC1 ZINC000169305497 GD Annotated Anodyne O=S1(=O)C[C@@H](N2CC=CC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000169305524 GD Annotated Anodyne O=S1(=O)C[C@H](N2CC=CC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000169305525 GD Annotated Anodyne N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@@H]1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000169306026 GD Annotated Reactive CN(C)c1ccc(/C=N/[C@@H]2C(C#N)=C3CCCN3[C@@]2(O)N2CCOCC2)cc1 ZINC000169306029 GD Annotated Reactive CN(C)c1ccc(/C=N/[C@H]2C(C#N)=C3CCCN3[C@@]2(O)N2CCOCC2)cc1 ZINC000169306030 GD Annotated Reactive CCN1C(=O)c2cccc3c(S(=O)(=O)NCCN4CCOCC4)ccc1c23 ZINC000169308092 GD Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CNCCN3CCOCC3)[C@@H]2CC1 ZINC000169308984 GD Annotated Anodyne CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1c[nH]cn1 ZINC000169309206 GD Annotated Anodyne CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1c[nH]cn1 ZINC000169309209 GD Annotated Anodyne COc1cc(-n2n[n+](C)c3c2C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000169310479 GD Annotated Clean O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000169311837 GD Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@@]23C=C[C@H]1O3 ZINC000169311839 GD Annotated Anodyne Cc1cc(=O)n2nc(N3C[C@H](CN)[C@@H](c4cc(F)ccc4F)CC3=O)ccc2n1 ZINC000169312414 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3OC(=O)O ZINC000169313016 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2OC(C)=O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000169313017 GD Annotated Mild O=C(NC1(c2ccccn2)CCC1)C1=NN(c2c[n+]([O-])ccn2)[C@@H]2[C@H]3C[C@H]3C[C@@H]12 ZINC000169313062 GD Annotated Anodyne O=C(NC1(c2ccccn2)CCC1)C1=NN(c2c[n+]([O-])ccn2)[C@H]2[C@H]3C[C@H]3C[C@@H]12 ZINC000169313063 GD Annotated Anodyne O=C(NC1(c2ccccn2)CCC1)C1=NN(c2c[n+]([O-])ccn2)[C@H]2[C@@H]1C[C@@H]1C[C@@H]12 ZINC000169313064 GD Annotated Anodyne O=C(NC1(c2ccccn2)CCC1)C1=NN(c2c[n+]([O-])ccn2)[C@@H]2[C@@H]1C[C@@H]1C[C@@H]12 ZINC000169313065 GD Annotated Anodyne CCOC(=O)C(=O)Nc1cc(C(=O)O)cc(NC(=O)C(=O)OCC)c1Cl ZINC000169316037 GD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)C=C(NC(=O)CCN3CCN(C)CC3)C(=O)C[C@@H]1O2 ZINC000169316324 GD Annotated Mild Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN(C)CCN(C)C)[C@@H]1O2 ZINC000169316353 GD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)C[C@H](NC(=O)CCN3CCN(C)CC3)C(=O)C[C@@H]1O2 ZINC000169316359 GD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)C[C@@H](NC(=O)CCN3CCN(C)CC3)C(=O)C[C@@H]1O2 ZINC000169316360 GD Annotated Anodyne O=c1n(-c2ccc3c(c2)OCO3)c2ncccc2n1S(=O)(=O)C(F)(F)F ZINC000169316527 GD Annotated Anodyne CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(N3C(=O)CCC3=O)c2)C(=O)OC1=O ZINC000169316799 GD Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(NS(C)(=O)=O)c2)C(=O)OC1=O ZINC000169316800 GD Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(NS(C)(=O)=O)cc2)C(=O)OC1=O ZINC000169316801 GD Annotated Reactive C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCCO)CC(=O)O1 ZINC000169317136 GD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCCO)CC(=O)O1 ZINC000169317140 GD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)C[C@@H](C)O)CC(=O)O1 ZINC000169317462 GD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)C[C@@H](C)O)CC(=O)O1 ZINC000169317463 GD Annotated Anodyne CCS(=O)(=O)OCCN1[C@@H](OO)CCO[P@@]1(=O)N(C)CCCl ZINC000169318979 GD Annotated Reactive O=[N+]([O-])C1=C2N(C[C@@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)CN(CCO)C1 ZINC000169318980 GD Annotated Anodyne CCS(=O)(=O)OCCN1[C@H](OO)CCO[P@@]1(=O)N(C)CCCl ZINC000169318981 GD Annotated Reactive CCS(=O)(=O)OCCN(C)[P@@]1(=O)OCC[C@@H](OO)N1CCCl ZINC000169319564 GD Annotated Reactive CCS(=O)(=O)OCCN(C)[P@]1(=O)OCC[C@@H](OO)N1CCCl ZINC000169319566 GD Annotated Reactive C[S@@](=O)C[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169322007 GD Annotated Bother C[S@](=O)C[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169322009 GD Annotated Bother C[S@@](=O)C[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169322011 GD Annotated Bother C[S@](=O)C[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169322012 GD Annotated Bother CCN1CCN(CCC(=O)N[C@H]2C(=O)CC[C@@]3(C)c4cc(C)ccc4O[C@@H]23)CC1 ZINC000169323919 GD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323923 GD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CC[C@@H](O)[C@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323934 GD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CC[C@H](O)[C@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323937 GD Annotated Anodyne Cc1[nH]n(CCO)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169324895 GD Annotated Clean Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N\NC(=O)[C@@H]1COc2ccccc2O1 ZINC000169325490 GD Annotated Reactive Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N\NC(=O)[C@H]1COc2ccccc2O1 ZINC000169325493 GD Annotated Reactive Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000169325778 GD Annotated Clean CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4cc(C(F)(F)F)c(C(F)(F)F)n4[C@@H]3C[C@]21O ZINC000169326234 GD Annotated Anodyne CCCCCCC/C=C/C(=O)O[C@H]1[C@@H]2Oc3nc(=N)ccn3[C@@H]2O[C@@H]1CO ZINC000169327418 GD Annotated Mild N#C/N=C(/NCCCSc1nc(N)n[nH]1)NCCSc1ccccc1 ZINC000169327590 GD Annotated Mild Nc1ccn([C@H]2O[C@H](COC(=O)OCc3ccccc3)[C@@H](O)C2(F)F)c(=O)n1 ZINC000169327640 GD Annotated Anodyne C/C=C(/CO)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000169327937 GD Annotated Anodyne O=[N+]([O-])c1cc(COc2nnnn2-c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000169327939 GD Annotated Bother COC1=C(OC)[C@@](O)(CCn2cc(-c3ccc(C(C)(C)C)cc3)nn2)NC1=O ZINC000169328374 GD Annotated Anodyne COC1=C(OC)[C@](O)(CCn2cc(-c3ccc(C(C)(C)C)cc3)nn2)NC1=O ZINC000169328375 GD Annotated Anodyne CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000169329055 GD Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c2ccco2)[C@]2(C)CC[C@@H]1C2 ZINC000169329056 GD Annotated Anodyne O=[N+]([O-])c1cc(CS(=O)(=O)c2nnnn2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000169331781 GD Annotated Bother O=[N+]([O-])c1cc(CS(=O)(=O)c2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000169331782 GD Annotated Bother CCOC(=O)c1cnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2OCC)[nH]c1=O ZINC000169335227 GD Annotated Bother CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(N3C(=O)CCC3=O)c2)C(=O)OC1=O ZINC000169336504 GD Annotated Reactive COc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1NC(C)=O ZINC000169336523 GD Annotated Reactive CCC(=O)Nc1cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O ZINC000169336525 GD Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(O)c(NC(=O)C(C)C)c2)C(=O)OC1=O ZINC000169336526 GD Annotated Reactive CCOC(=O)Nc1cccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169336551 GD Annotated Reactive CC(=O)O[C@H]1[C@H]2[C@@H]3C[C@H]4C5=[N+]([O-])c6ccccc6[C@]51C[C@@H]2[N+]4([O-])[C@@H](C)[C@@H]3C(=O)O ZINC000169337837 GD Annotated Bother CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](C/C(=N/O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339268 GD Annotated Mild CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](C/C(=N/O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339271 GD Annotated Mild CC[C@@H]1C(=O)OC[C@H]1Cc1c[n+](C/C(=N/O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339272 GD Annotated Mild CC[C@H]1C(=O)OC[C@H]1Cc1c[n+](C/C(=N/O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339273 GD Annotated Mild CC[C@@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000169340764 GD Annotated Anodyne CC[C@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000169340766 GD Annotated Anodyne CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cccnc3OC[C@@H]1O2 ZINC000169341443 GD Annotated Anodyne Cc1cc(C)n2nc(C(=O)NS(=O)(=O)c3ccccc3OC(F)F)nc2n1 ZINC000169342508 GD Annotated Anodyne CN1CCC(=O)[C@]2(CCN(C)[C@@]23C(=O)Nc2ccc(Br)cc23)C1 ZINC000169343904 GD Annotated Anodyne C=C1C[C@@](C)(Cn2cc(COC(=O)/C=C/c3ccccc3)c(=O)[nH]c2=O)OC1=O ZINC000169344181 GD Annotated Mild C=C1C[C@](C)(Cn2cc(COC(=O)/C=C/c3ccccc3)c(=O)[nH]c2=O)OC1=O ZINC000169344182 GD Annotated Mild O=C(O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34)c1ccccc1 ZINC000169344445 GD Annotated Anodyne O=C(O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34)c1ccccc1 ZINC000169344447 GD Annotated Anodyne Cc1nn(C)c2nc3ccc(S(N)(=O)=O)cc3c(NCCCN(C)C)c12 ZINC000169344805 GD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@@H](O)CO)CC(=O)O1 ZINC000169344916 GD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@H](O)CO)CC(=O)O1 ZINC000169344918 GD Annotated Anodyne N=C(N/N=C\c1ccc2nc(/C=N/NC(=N)N3CCCC3)cn2c1)N1CCCC1 ZINC000169345418 GD Annotated Mild CCOC[C@@H]1COc2c(cc3[nH]cc(C(=O)OCC)c(=O)c3c2[N+](=O)[O-])O1 ZINC000169345479 GD Annotated Bother CCOC[C@H]1COc2c(cc3[nH]cc(C(=O)OCC)c(=O)c3c2[N+](=O)[O-])O1 ZINC000169345481 GD Annotated Bother Fc1cccnc1Nc1ncc(-c2cnc3ccc(N4CCNCC4)nn23)cn1 ZINC000169346050 GD Annotated Anodyne O=C(N/N=C/c1ccc(OCCCn2cc(CO)nn2)cc1)c1ccncc1 ZINC000169346145 GD Annotated Reactive COc1ccc2c(c1)c(C(=O)O)c(-c1ccccc1)n2C1=NNC(=S)N[C@@H]1N ZINC000169346680 GD Annotated Anodyne COc1ccc2c(c1)c(C(=O)O)c(-c1ccccc1)n2C1=NNC(=S)N[C@H]1N ZINC000169346682 GD Annotated Anodyne NC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@@H]2N)c2ccc(Cl)cc12 ZINC000169346686 GD Annotated Anodyne NC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@H]2N)c2ccc(Cl)cc12 ZINC000169346687 GD Annotated Anodyne NC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@@H]2N)c2ccc(F)cc12 ZINC000169346688 GD Annotated Anodyne NC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@H]2N)c2ccc(F)cc12 ZINC000169346689 GD Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CC(CO)(CO)OC1=O ZINC000169346737 GD Annotated Mild COc1ccc2c(c1)c(C(N)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@@H]1N ZINC000169347362 GD Annotated Anodyne COc1ccc2c(c1)c(C(N)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@H]1N ZINC000169347363 GD Annotated Anodyne COC(=O)C[C@](O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc(O)c3c2=O)S1 ZINC000169347506 GD Annotated Anodyne C=CCn1c(=O)/c(=C\c2cccc(F)c2)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348718 GD Annotated Mild C=CCn1c(=O)/c(=C\c2ccccc2F)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348723 GD Annotated Mild C=CCn1c(=O)/c(=C\c2ccccc2OC)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348725 GD Annotated Mild C=CCn1c(=O)/c(=C\c2cc(F)ccc2C)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348731 GD Annotated Mild CCOP(=O)(OCC)[C@@H](O)C1=C(N(C)C)C(=O)N(c2ccccc2)C1=O ZINC000169348843 GD Annotated Anodyne CCOP(=O)(OCC)[C@H](O)C1=C(N(C)C)C(=O)N(c2ccccc2)C1=O ZINC000169348844 GD Annotated Anodyne O=C(NCCc1ccc(F)cc1)c1c(O)n(O)c(=O)c2cc([N+](=O)[O-])ccc12 ZINC000169349210 GD Annotated Bother CC(=O)Nc1ccc2c(c1)C(=O)N(O)C(=O)[C@@H]2C(=O)NCc1ccc(F)cc1 ZINC000169349212 GD Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(O)C(=O)[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000169349213 GD Annotated Anodyne C#CCCCO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3CC[C@@H]12 ZINC000169349383 GD Annotated Mild C#CCCCO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3CC[C@@H]12 ZINC000169349384 GD Annotated Mild C[C@H]1COC2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)O1 ZINC000169350172 GD Annotated Bother Cc1c(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)nnn1C ZINC000169351690 GD Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@H]1NCCc1c2n(c2cc(OC)ccc12)C3 ZINC000169352316 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)[C@H](C)COC(=O)C/C=C/[C@H]2C)cc1 ZINC000169352659 GD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(Br)cc1 ZINC000169353670 GD Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(Br)cc1 ZINC000169353671 GD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(Br)cc1 ZINC000169353672 GD Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(Br)cc1 ZINC000169353673 GD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(=O)CC)=N[C@@H]1c1ccc(Br)cc1 ZINC000169353686 GD Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(=O)CC)=N[C@@H]1c1ccc(Br)cc1 ZINC000169353687 GD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(=O)CC)=N[C@H]1c1ccc(Br)cc1 ZINC000169353688 GD Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(=O)CC)=N[C@H]1c1ccc(Br)cc1 ZINC000169353689 GD Annotated Anodyne Cc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(OC(F)F)c3C)c2c1 ZINC000169353748 GD Annotated Anodyne COc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1 ZINC000169353753 GD Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169355419 GD Annotated Anodyne COC(=O)[C@]1(CCSC)N[C@@H](c2ccccc2OC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169355420 GD Annotated Anodyne COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CN1C ZINC000169356704 GD Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CN1C ZINC000169356705 GD Annotated Anodyne COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CN1C ZINC000169356706 GD Annotated Anodyne C[C@H](O)C[S@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169357621 GD Annotated Anodyne C[C@H](O)C[S@@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169357622 GD Annotated Anodyne C=C(C)C(=O)O[C@@H]1[C@@H](OC)/C(C=O)=C/CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000169358992 GD Annotated Reactive CC(=O)O[C@H]1[C@H]2[C@@H]3C[C@H]4C5=[N+](C)c6ccccc6[C@]51C[C@@H]2[N+]4([O-])[C@@H](C)[C@@H]3C(=O)O ZINC000169361884 GD Annotated Bother CC(C)(C)[C@H]1COC(=O)CCCC/C=C/C[C@H](CC(=O)NCCO)C(=O)N1 ZINC000169363364 GD Annotated Anodyne C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C\[C@H]2OC(=O)[C@H](C)[C@H]12)[C@@H](O)CO ZINC000169363659 GD Annotated Mild C=C(C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C\[C@H]2OC(=O)[C@H](C)[C@H]12)[C@@H](O)CO ZINC000169363660 GD Annotated Mild O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@@]23C=C[C@H]1O3 ZINC000169364352 GD Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169365288 GD Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169365289 GD Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169365290 GD Annotated Anodyne CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H]1CCCO1 ZINC000169368696 GD Annotated Anodyne CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H]1CCCO1 ZINC000169368697 GD Annotated Anodyne CC1(C)C([C@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]21 ZINC000169369620 GD Annotated Anodyne CC1(C)C([C@@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]21 ZINC000169369621 GD Annotated Anodyne CC1(C)C([C@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]21 ZINC000169369622 GD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1/C(=N/O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000169372912 GD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1/C(=N/O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000169372913 GD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000169373083 GD Annotated Reactive CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000169373084 GD Annotated Reactive COc1ccc(N2C(=O)[C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 ZINC000169552097 GD Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 ZINC000169552105 GD Annotated Anodyne CCOC(=O)C1=C(C)N(C)[C@]23O[C@@]4(C(=O)OC)C[C@@H]2c2ccccc2[C@@H]1N3C4=O ZINC000169598990 GD Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@]13O[C@]21OC(=O)C(CO)=C1CC[C@@H]3C ZINC000169645290 GD Annotated Anodyne C/C=C1/C[N+]2(C)CC[C@]34c5ccccc5N[C@@]32[C@H](O)C[C@H]1[C@]4(CO)C(=O)OC ZINC000169645495 GD Annotated Bother C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](OC(C)=O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000169649425 GD Annotated Mild C[C@H]1CC[C@H]2[C@@H](C=C[C@@H]3[C@H]4[C@@H](C)O[C@]5(O)[C@@H](CO)N(C)C(=O)[C@]45C(=O)[C@]23C)C1 ZINC000169652721 GD Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC)O[C@H](O)[C@]234)[C@@H]1O ZINC000169654901 GD Annotated Mild C=C1C[C@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CC(=O)C[C@]57[C@@H]([C@H]2[C@@H](OC(C)=O)[C@H]1C[C@]37O)N4C6 ZINC000169655163 GD Annotated Mild C[C@@H]1C[C@@H](O)[C@]2(CO)[C@H](CCC[C@@]2(O)CO)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000169655458 GD Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 ZINC000169671243 GD Annotated Anodyne C[C@@]12C[C@H](c3ccccc3O1)[C@@H](/C(N)=N\NC(=O)c1ccc(F)cc1)C(=O)N2 ZINC000169684103 GD Annotated Reactive CN(C)CCNS(=O)(=O)c1ccc(/N=C/[C@H]2C(=O)Nc3ccccc32)cc1 ZINC000169685174 GD Annotated Mild CN(C)CCNS(=O)(=O)c1ccc(/N=C/[C@@H]2C(=O)Nc3ccccc32)cc1 ZINC000169685175 GD Annotated Mild CCO[C@@H](O)c1oc2c(c(=O)c1-c1nncn1-c1ccccc1)C=CC(=O)C2=O ZINC000169686745 GD Annotated Mild CCO[C@H](O)c1oc2c(c(=O)c1-c1nncn1-c1ccccc1)C=CC(=O)C2=O ZINC000169686746 GD Annotated Mild CC1=C(C(=O)OC(C)C)[C@]2(C(=O)N(CC(N)=O)c3ccccc32)[C@@H](C#N)C(=N)O1 ZINC000169687239 GD Annotated Mild CC1=C(C(=O)OC(C)C)[C@]2(C(=O)N(CC(N)=O)c3ccccc32)[C@H](C#N)C(=N)O1 ZINC000169687240 GD Annotated Mild O=C1C(=O)N(CCOCCO)[C@H](c2cccs2)[C@@H]1C(=O)c1cccs1 ZINC000169687262 GD Annotated Anodyne O=C1C(=O)N(CCOCCO)[C@H](c2cccs2)[C@H]1C(=O)c1cccs1 ZINC000169687263 GD Annotated Anodyne O=C1C(=O)N(CCOCCO)[C@@H](c2cccs2)[C@@H]1C(=O)c1cccs1 ZINC000169687264 GD Annotated Anodyne O=C1C(=O)N(CCOCCO)[C@@H](c2cccs2)[C@H]1C(=O)c1cccs1 ZINC000169687265 GD Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000169687388 GD Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000169687389 GD Annotated Anodyne COc1cc([C@@H]2c3c([nH]c(=O)[nH]c3=O)N=C(C)[C@@H]2C(=O)OC(C)C)ccc1O ZINC000169687823 GD Annotated Anodyne COc1cc([C@H]2c3c([nH]c(=O)[nH]c3=O)N=C(C)[C@@H]2C(=O)OC(C)C)ccc1O ZINC000169687824 GD Annotated Anodyne COc1cc([C@@H]2c3c([nH]c(=O)[nH]c3=O)N=C(C)[C@H]2C(=O)OC(C)C)ccc1O ZINC000169687825 GD Annotated Anodyne COc1cc([C@H]2c3c([nH]c(=O)[nH]c3=O)N=C(C)[C@H]2C(=O)OC(C)C)ccc1O ZINC000169687826 GD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000169688367 GD Annotated Anodyne CC1(C)CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@]21C(=O)N(CC(N)=O)c2ccccc21 ZINC000169688768 GD Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=N)[C@H](C#N)[C@@]21C(=O)N(CC(N)=O)c2ccccc21 ZINC000169688769 GD Annotated Mild C/C(=N\Cc1ccc2c(c1)OCO2)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O ZINC000169688916 GD Annotated Mild O=C(CCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000169689667 GD Annotated Anodyne O=C(CCN1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000169689668 GD Annotated Anodyne COc1c[c-](/C=N/NC(=O)c2cncc(Br)c2)cc([N+](=O)[O-])c1=O ZINC000169690057 GD Annotated Reactive CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccccc32)[C@@H](C#N)C(=N)O1 ZINC000169690297 GD Annotated Mild CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)[C@@H](C#N)C(=N)O1 ZINC000169690298 GD Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000169690651 GD Annotated Reactive Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 ZINC000169691081 GD Annotated Reactive Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1 ZINC000169691082 GD Annotated Reactive CN1CC[C-](/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000169691222 GD Annotated Clean CC1=Nc2nc(CCCO)nn2[C@@H](c2ccc(Br)cc2)[C@@H]1C(N)=O ZINC000169691414 GD Annotated Anodyne CC1=Nc2nc(CCCO)nn2[C@H](c2ccc(Br)cc2)[C@@H]1C(N)=O ZINC000169691415 GD Annotated Anodyne COCCOC(=O)C1=C(C)OC(=N)[C@@H](C(=O)OC)[C@]12C(=O)Nc1ccccc12 ZINC000169691488 GD Annotated Anodyne COCCOC(=O)C1=C(C)OC(=N)[C@H](C(=O)OC)[C@]12C(=O)Nc1ccccc12 ZINC000169691489 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H](C1=Nc3ccccc3[C@@]1(C)O)C(=O)N2 ZINC000169692427 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2c(c1)[C@H](C1=Nc3ccccc3[C@@]1(C)O)C(=O)N2 ZINC000169692428 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H](C1=Nc3ccccc3[C@]1(C)O)C(=O)N2 ZINC000169692429 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2c(c1)[C@H](C1=Nc3ccccc3[C@]1(C)O)C(=O)N2 ZINC000169692430 GD Annotated Anodyne COc1cc([N+](=O)[O-])c[c-](/C=N/NC(=O)c2cncc(Br)c2)c1=O ZINC000169693166 GD Annotated Reactive Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(C)(=O)=O ZINC000169697504 GD Annotated Mild CN(C)c1cc(C(=O)O)nc2c(-c3ccccc3O)nc(N3CCOCC3)nc12 ZINC000169698814 GD Annotated Anodyne NC(=O)c1cccc2c(NC[C@@H]3CC=C/C(=N\[C@@H](O)c4ccn[nH]4)C3)ncnc12 ZINC000169700731 GD Annotated Mild NC(=O)c1cccc2c(NC[C@H]3CC=C/C(=N\[C@@H](O)c4ccn[nH]4)C3)ncnc12 ZINC000169700732 GD Annotated Mild NC(=O)c1cccc2c(NC[C@@H]3CC=C/C(=N\[C@H](O)c4ccn[nH]4)C3)ncnc12 ZINC000169700733 GD Annotated Mild NC(=O)c1cccc2c(NC[C@H]3CC=C/C(=N\[C@H](O)c4ccn[nH]4)C3)ncnc12 ZINC000169700734 GD Annotated Mild CNC(=O)c1nn(C)cc1NC(=O)c1nc(C(C)C)ncc1Nc1cncnc1 ZINC000169701714 GD Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(C(C)C)cnc2Nc2cncnc2)cnn1C ZINC000169701756 GD Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(Cl)ccc2Nc2cncnc2)cnn1C ZINC000169701788 GD Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(COC)ccc2Nc2cncnc2)cnn1C ZINC000169701812 GD Annotated Anodyne CC(=O)NC1CCC(NC(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1 ZINC000169704042 GD Annotated Anodyne COc1cc(-c2cc(C(=O)N[C@@H]3CC[C@H](CO)CC3)c3c(N)ncnn23)ccn1 ZINC000169704048 GD Annotated Anodyne COc1cc(-c2cc(C(=O)NC[C@@H]3CC[C@@H](O)CC3)c3c(N)ncnn23)ccn1 ZINC000169704049 GD Annotated Anodyne CC1(O)CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1 ZINC000169704189 GD Annotated Anodyne O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC(O)C1 ZINC000169704204 GD Annotated Anodyne O=C(c1cnn2ccc(N3CCC[C@H]3c3cncc(F)c3)nc12)N1CC(O)C1 ZINC000169704205 GD Annotated Anodyne O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1 ZINC000169704217 GD Annotated Anodyne Cc1ncc(F)cc1[C@@H]1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1 ZINC000169704260 GD Annotated Anodyne Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1 ZINC000169704261 GD Annotated Anodyne Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)c1=O ZINC000169704290 GD Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CC[C@@H](CO)C3)n2)cc1 ZINC000169706355 GD Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CC[C@@H](CO)C3)n2)cc1 ZINC000169706356 GD Annotated Mild Cc1nn(-c2ccnc(Nc3ccc4c(cnn4C)c3)n2)cc1CN1CC(O)C1 ZINC000169709013 GD Annotated Anodyne CC(C)(CNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O)C(=O)O ZINC000169710916 GD Annotated Anodyne O=C(O)CCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710917 GD Annotated Anodyne N#Cc1nc(C(=O)NCCC(=O)O)c(O)c2ccn(Cc3ccccc3)c(=O)c12 ZINC000169710937 GD Annotated Mild C[C@H](NC(=O)c1nc(C#N)c2c(=O)n(Cc3ccccc3)ccc2c1O)C(=O)O ZINC000169710945 GD Annotated Mild C[C@@H](NC(=O)c1nc(C#N)c2c(=O)n(Cc3ccccc3)ccc2c1O)C(=O)O ZINC000169710946 GD Annotated Mild CC(C)(CNC(=O)c1ncc2ccc(=O)n(Cc3ccccc3)c2c1O)C(=O)O ZINC000169710959 GD Annotated Anodyne CC(=O)NCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710977 GD Annotated Anodyne N#Cc1nc(C(=O)NCCC(=O)O)c(O)c2c1ccc(=O)n2Cc1ccccc1 ZINC000169710978 GD Annotated Mild CC(=O)NCCNC(=O)c1ncc2ccc(=O)n(Cc3ccccc3)c2c1O ZINC000169710980 GD Annotated Anodyne CC(=O)N(C)CCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710999 GD Annotated Anodyne O=CNCCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169711079 GD Annotated Anodyne CC(=O)NCCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169711080 GD Annotated Anodyne CCOc1nc(C)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711666 GD Annotated Anodyne COc1nc(C)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711668 GD Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)nc(O)c4C3)ncnn12 ZINC000169711684 GD Annotated Anodyne CCn1c(C)nc2c(c1=O)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711761 GD Annotated Anodyne O=C(O)c1ccccc1-n1cc(O)n(S(=O)(=O)c2ccc(Cl)cc2)c1=O ZINC000169715257 GD Annotated Anodyne N#CC1=C(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)N(O)C(=N)CC1 ZINC000169721818 GD Annotated Reactive C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@H]5O[C@]3(O)[C@@H]2C[C@@H]1[C@]54C(=O)OC ZINC000169721833 GD Annotated Anodyne O=C1N=c2c(Br)cc([N+](=O)[O-])cc2=C1c1[nH]c2ccccc2c1O ZINC000169722496 GD Annotated Bother CO[C@@H]1CCCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)C1 ZINC000169727028 GD Annotated Mild CO[C@H]1CCCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)C1 ZINC000169727029 GD Annotated Mild Nc1nnc2n3[nH]c(N)c(NNc4ccc(Br)cc4)c3nc(N)c1-2 ZINC000169728174 GD Annotated Anodyne Cc1cc(S(C)(=O)=O)cc2c1NN=C(C(N)=O)[C@@H]2Nc1cncc(Cl)c1 ZINC000169729092 GD Annotated Anodyne Cc1cc(S(C)(=O)=O)cc2c1NN=C(C(N)=O)[C@H]2Nc1cncc(Cl)c1 ZINC000169729093 GD Annotated Anodyne CCn1nccc1N[C@H]1C(C(N)=O)=NNc2c(C)cc(S(=O)(=O)CC)cc21 ZINC000169729094 GD Annotated Anodyne CCn1nccc1N[C@@H]1C(C(N)=O)=NNc2c(C)cc(S(=O)(=O)CC)cc21 ZINC000169729095 GD Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)[C@@H](Nc1cncc(Cl)c1)C(C(N)=O)=NN2 ZINC000169729096 GD Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)[C@H](Nc1cncc(Cl)c1)C(C(N)=O)=NN2 ZINC000169729097 GD Annotated Anodyne CS(=O)(=O)c1cc(F)c2c(c1)[C@@H](Nc1cncc(F)c1)C(C(N)=O)=NN2 ZINC000169729100 GD Annotated Anodyne CS(=O)(=O)c1cc(F)c2c(c1)[C@H](Nc1cncc(F)c1)C(C(N)=O)=NN2 ZINC000169729101 GD Annotated Anodyne CC(C)OCCOc1nc(Oc2ccc3c(c2)COB3O)c(C#N)cc1C#N ZINC000169938796 GD Annotated Mild CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc2c1=O)B(O)O ZINC000169971097 GD Annotated Reactive CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(=O)c1ccccc1 ZINC000017040485 GD Annotated Anodyne CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(=O)c1ccccc1 ZINC000017040488 GD Annotated Anodyne CO[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(=O)c1ccccc1 ZINC000017040491 GD Annotated Anodyne CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(=O)c1ccccc1 ZINC000017040497 GD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000017119660 GD Annotated Reactive CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000017119665 GD Annotated Reactive COC1=CC(=CNNC(=O)C(=O)Nc2cccc(Cl)c2)C=C(OC)C1=O ZINC000017129550 GD Annotated Reactive CC1=N[C@@]2(C(=O)O)[C@](C(F)(F)F)(O1)[C@@]1(C(F)(F)F)OC(C)=N[C@@]12C(=O)O ZINC000017176271 GD Annotated Anodyne COc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N\NC(=O)C(N)=O)cc1 ZINC000017195493 GD Annotated Reactive O=C1c2ccccc2C(=O)N1C/C=N/NS(=O)(=O)c1ccc(Cl)cc1 ZINC000017197764 GD Annotated Mild O=C1c2ccccc2C(=O)N1C/C=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000017197767 GD Annotated Mild Cc1ccc(NC(=O)C(=O)[C@H]([C@H]2[C@H](CC(=O)O)C(=O)C[C@H]2C)[N+](=O)[O-])cc1 ZINC000017211152 GD Annotated Mild Cc1ccc(NC(=O)C(=O)[C@H]([C@@H]2[C@@H](C)CC(=O)[C@H]2CC(=O)O)[N+](=O)[O-])cc1 ZINC000017211155 GD Annotated Mild Cc1ccc(NC(=O)C(=O)[C@H]([C@@H]2[C@@H](C)CC(=O)[C@@H]2CC(=O)O)[N+](=O)[O-])cc1 ZINC000017211158 GD Annotated Mild Cc1ccc(C)c(NC(=O)C(=O)[C@H]([C@H]2[C@H](CC(=O)O)C(=O)C[C@H]2C)[N+](=O)[O-])c1 ZINC000017211161 GD Annotated Mild Cc1ccc(C)c(NC(=O)C(=O)[C@H]([C@@H]2[C@@H](C)CC(=O)[C@H]2CC(=O)O)[N+](=O)[O-])c1 ZINC000017211164 GD Annotated Mild Cc1ccc(C)c(NC(=O)C(=O)[C@H]([C@@H]2[C@@H](C)CC(=O)[C@@H]2CC(=O)O)[N+](=O)[O-])c1 ZINC000017211167 GD Annotated Mild COc1ccc(S(=O)(=O)N/N=C(\C)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000017212439 GD Annotated Mild C/C(CN1C(=O)c2ccccc2C1=O)=N\NS(=O)(=O)c1ccc(F)cc1 ZINC000017212464 GD Annotated Mild CC[C@]1(Br)C(O)=NC(=O)N([C@@H]2C[C@@H](O)[C@@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000017214640 GD Annotated Clean CCO[C@@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br ZINC000017215574 GD Annotated Clean CC(=O)O[C@H]1CO[C@@H](Nc2ccc(C(C)=O)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017216465 GD Annotated Anodyne CC(=O)O[C@H]1CO[C@H](Nc2ccc(C(C)=O)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017216468 GD Annotated Anodyne NC1=NC2=c3ccccc3=C(c3cnccn3)[C@@]2(c2cnccn2)c2ccccc21 ZINC000017217694 GD Annotated Anodyne NC1=NC2=c3ccccc3=C(c3cnccn3)[C@]2(c2cnccn2)c2ccccc21 ZINC000017217697 GD Annotated Anodyne CC1(C)CNC(=O)[C@]2(/C=N/C(C)(C)CNC(=O)[C@]3(/C=N/1)CCCO3)CCCO2 ZINC000017218276 GD Annotated Anodyne COC(=O)C1=CO[C@@H]2O[C@@H]3/C(=C\c4ccc(O)c(OC)c4)C(=O)O[C@@]34C=C[C@@H]1[C@@H]24 ZINC000017220706 GD Annotated Anodyne COC(=O)C1=CO[C@H]2O[C@@H]3/C(=C\c4ccc(O)c(OC)c4)C(=O)O[C@@]34C=C[C@@H]1[C@@H]24 ZINC000017220709 GD Annotated Anodyne CC(=O)C[C@@H]1CCC(=O)/C=C\C(=O)O[C@@H](CC(C)=O)CCC(=O)/C=C\C(=O)O1 ZINC000017221688 GD Annotated Mild CC(=O)C[C@@H]1CCC(=O)/C=C/C(=O)O[C@@H](CC(C)=O)CCC(=O)/C=C/C(=O)O1 ZINC000017221693 GD Annotated Mild C=CCOC(=O)[C@H]1[C@@H]2CCc3ccccc3[C@]23O[C@H]1C(C(=O)OC)=C3C(=O)OC ZINC000017224462 GD Annotated Mild N#Cc1cc2c(cc1C#N)/C(=N\c1cccc(N)n1)N=C2Nc1cccc(N)n1 ZINC000017250558 GD Annotated Mild CCOC1=C/C(=C\NNC(=O)NN/C=C2\C=CC(=O)C(OCC)=C2)C=CC1=O ZINC000017311306 GD Annotated Reactive CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2C(=O)[C@@H]1NC(=O)c1ccccc1 ZINC000017379951 GD Annotated Anodyne CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2C(=O)[C@@H]1NC(=O)c1ccccc1 ZINC000017379953 GD Annotated Anodyne CO[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2C(=O)[C@@H]1NC(=O)c1ccccc1 ZINC000017379955 GD Annotated Anodyne CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2C(=O)[C@@H]1NC(=O)c1ccccc1 ZINC000017379957 GD Annotated Anodyne CC1(C)OB(c2ccc([C@@H](N=C(N)N)OC(=O)c3cccnc3)cc2)OC1(C)C ZINC000170079959 GD Annotated Mild CC1(C)OB(c2ccc([C@H](N=C(N)N)OC(=O)c3cccnc3)cc2)OC1(C)C ZINC000170079962 GD Annotated Mild Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000017581046 GD Annotated Anodyne C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000017747784 GD Annotated Bother O=C(O)C[C@H]1S/C(=N\N/C=C2\C=CC=CC2=O)N(c2ccc(O)cc2)C1=O ZINC000018023650 GD Annotated Mild Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1OCC(N)=O ZINC000018086560 GD Annotated Anodyne CCCCN(CC)CC/N=c1/c(O)c(O)/c1=N\C1CCN(C(=O)OCC)CC1 ZINC000018246862 GD Annotated Anodyne CCc1ccc2occ(CC(=O)N3CCN(c4cnn(C)c(=O)c4)CC3)c2c1 ZINC000019110575 GD Annotated Anodyne O=C(c1nc[nH]n1)N1CCC2(CC1)c1ccccc1[C@@H](N1CCCCC1)[C@@H]2O ZINC000019143660 GD Annotated Anodyne CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3cnccn3)CC2)[C@H]1O ZINC000019146456 GD Annotated Anodyne COCCn1c(CN(C)CCc2cn[nH]c2)cnc1S(=O)(=O)CCC(C)C ZINC000019224029 GD Annotated Anodyne COCCn1c(CN2CCc3[nH]ncc3C2)cnc1S(=O)(=O)CC(C)(C)C ZINC000019224387 GD Annotated Anodyne O=C(Cn1nnnc1CN1CCOCC1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000019225116 GD Annotated Anodyne O=C(Cn1nnnc1CN1CCOCC1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000019225120 GD Annotated Anodyne CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cnc(SC)nc3)C2)CC1 ZINC000019228529 GD Annotated Anodyne CCOC(=O)N1CCN([C@H]2CCCN(Cc3cnc(SC)nc3)C2)CC1 ZINC000019228530 GD Annotated Anodyne Cc1csc([C@@H](Cc2ccsc2)NC(=O)c2cc(=O)n(C)c(=O)n2C)n1 ZINC000019240192 GD Annotated Anodyne Cc1csc([C@H](Cc2ccsc2)NC(=O)c2cc(=O)n(C)c(=O)n2C)n1 ZINC000019240193 GD Annotated Anodyne CC(C)Cn1c(CN2CCN(c3ncccn3)CC2)cnc1S(C)(=O)=O ZINC000019300643 GD Annotated Anodyne CN(C)C1(N(C)C)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H](c2ccccc2)C1(F)F ZINC000019318970 GD Annotated Anodyne CN(C)C1(N(C)C)Oc2c(c(=O)n(C)c(=O)n2C)[C@H](c2ccccc2)C1(F)F ZINC000019319329 GD Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000019460583 GD Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019460599 GD Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019500770 GD Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019526782 GD Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019526784 GD Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019586871 GD Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019586875 GD Annotated Anodyne COC(=O)[C@@]1(CO)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019592439 GD Annotated Anodyne CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)[C@H]1O ZINC000019595440 GD Annotated Anodyne COc1cccc(-n2cc(-c3ccnc(N4CCO[C@@H](CCO)C4)n3)cn2)c1 ZINC000019640118 GD Annotated Anodyne COc1cccc(-n2cc(-c3ccnc(N4CCO[C@H](CCO)C4)n3)cn2)c1 ZINC000019640125 GD Annotated Anodyne Cc1ccccc1-c1[nH]nc2c1CN(C(=O)c1c[nH]nc1-n1cnnn1)CC2 ZINC000019743218 GD Annotated Anodyne CN1CCCc2cc(CNC(=O)Cn3ncc(N4CCCC4)cc3=O)ccc21 ZINC000019782077 GD Annotated Clean O=C(CCCn1nnnc1CN1CCc2ccccc2C1)NCC1CCOCC1 ZINC000019790888 GD Annotated Anodyne CCN1CCN(C2CCN(c3nc4nonc4nc3N3CCCC3)CC2)CC1 ZINC000019791503 GD Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H]1c1ccc(C(=O)N(C)C)s1 ZINC000019836155 GD Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H]1c1ccc(C(=O)N(C)C)s1 ZINC000019836157 GD Annotated Anodyne CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1c[nH]cn1 ZINC000195020270 GD Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c2c[nH]cn2)[C@]2(C)CC[C@@H]1C2 ZINC000195020287 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3ccc(Br)cc3B2O)cc1 ZINC000195041560 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3c(Cl)cc(N(C)C)cc3B2O)cc1 ZINC000195048437 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3cc(Br)ccc3B2O)cc1 ZINC000195051214 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3scc(Br)c3B2O)cc1 ZINC000195109768 GD Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N2N=Cc3cc(C)ccc3B2O)c(Cl)c1 ZINC000195115535 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3c(ccn3Cc3ccccc3)B2O)cc1 ZINC000195127696 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3c(Br)cccc3B2O)cc1 ZINC000195140477 GD Annotated Anodyne O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1C[C@]3(C=C(Br)[C@H]1O)CCN2 ZINC000195159691 GD Annotated Mild CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H]1CCCO1 ZINC000195209040 GD Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H]2CCCO2)[C@]2(C)CC[C@@H]1C2 ZINC000195209051 GD Annotated Anodyne COc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1 ZINC000195222733 GD Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000195234885 GD Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000195234901 GD Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1 ZINC000195332777 GD Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000195335077 GD Annotated Anodyne CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000195335090 GD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000195335375 GD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000195335386 GD Annotated Anodyne CC1(C)C([C@@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@H](O)[C@H](O)[C@H](O)[C@H]21 ZINC000195338976 GD Annotated Anodyne CC1(C)C([C@@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@H](O)[C@H](O)[C@H](O)[C@@H]21 ZINC000195338985 GD Annotated Anodyne CC1(C)C([C@@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@H](O)[C@H](O)[C@@H](O)[C@H]21 ZINC000195338994 GD Annotated Anodyne CC1(C)C([C@@H]2CC(=O)c3ccccc3O2)=C(O)C(O)=C2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]21 ZINC000195339000 GD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NCCN1CCCc2ccccc21 ZINC000195339915 GD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)NCCN1CCCc2ccccc21 ZINC000195339924 GD Annotated Anodyne Cc1ccccc1S(=O)(=O)N1N=Cc2sc(Br)cc2B1O ZINC000195354689 GD Annotated Anodyne CC1(C)[C@@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000195372551 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000195372561 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3sc(Br)cc3B2O)cc1 ZINC000195388068 GD Annotated Anodyne CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C1=O)[C@H]1[C@H]2C(=O)N(CCCC)C(=O)[C@@H]2[C@H]31 ZINC000195391586 GD Annotated Anodyne CCCCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@H]1[C@H]2C(=O)N(CCCC)C(=O)[C@@H]2[C@H]31 ZINC000195391596 GD Annotated Anodyne CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(CCCC)C(=O)[C@@H]3[C@H]12 ZINC000195391600 GD Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)O[C@H](n2ccc(N)nc2=O)C1(F)F ZINC000195399033 GD Annotated Reactive O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000195403459 GD Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000195403467 GD Annotated Anodyne CO[C@H]1[C@H]2C(=O)O[C@H]([C@@H]3C4=C(CCN3C)CC3=C(C4)OCO3)[C@@H]2CC[C@H]1OC ZINC000195406166 GD Annotated Anodyne CO[C@H]1CC[C@H]2[C@@H]([C@@H]3C4=C(CCN3C)CC3=C(C4)OCO3)OC(=O)[C@@H]2[C@@H]1OC ZINC000195406173 GD Annotated Anodyne CO[C@H]1[C@H]2C(=O)O[C@H]([C@@H]3C4=C(CCN3C)CC3=C(C4)OCO3)[C@H]2CC[C@H]1OC ZINC000195406179 GD Annotated Anodyne CO[C@H]1CC[C@@H]2[C@@H]([C@@H]3C4=C(CCN3C)CC3=C(C4)OCO3)OC(=O)[C@@H]2[C@@H]1OC ZINC000195406185 GD Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000195407490 GD Annotated Anodyne O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)OCC(=O)c1ccccc1 ZINC000195407606 GD Annotated Anodyne Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000195408483 GD Annotated Bother Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000195408490 GD Annotated Bother Cc1ccc2c(c1)O[C@H]1[C@H](NC(=O)CCN3CCN(C)CC3)C(=O)CC[C@]21C ZINC000195410611 GD Annotated Anodyne Cc1ccc2c(c1)O[C@@H]1[C@H](NC(=O)CCN3CCN(C)CC3)C(=O)CC[C@]21C ZINC000195410619 GD Annotated Anodyne C#CCCCO/N=C1\C[C@H](O)[C@H](O)[C@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3CC[C@@H]12 ZINC000195411369 GD Annotated Mild C#CCCCO/N=C1/C[C@H](O)[C@H](O)[C@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3CC[C@@H]12 ZINC000195411376 GD Annotated Mild C#CCCCO/N=C1\C[C@H](O)[C@H](O)[C@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]3CC[C@@H]12 ZINC000195411382 GD Annotated Mild C#CCCCO/N=C1/C[C@H](O)[C@H](O)[C@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]3CC[C@@H]12 ZINC000195411391 GD Annotated Mild COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5[C@@H]3C4 ZINC000195415519 GD Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5[C@@H]3C4 ZINC000195415531 GD Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5[C@@H]3C4 ZINC000195415539 GD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195427182 GD Annotated Bother CN1CC[C@@]2(CN(N=O)CCC2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000195428003 GD Annotated Anodyne CN1CC[C@]2(CN(N=O)CCC2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000195428008 GD Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NCCN1CCCc2ccccc21 ZINC000195441875 GD Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)NCCN1CCCc2ccccc21 ZINC000195441880 GD Annotated Anodyne COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2CN1C ZINC000195444878 GD Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2CN1C ZINC000195444883 GD Annotated Anodyne COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2CN1C ZINC000195444888 GD Annotated Anodyne COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2CN1C ZINC000195449727 GD Annotated Anodyne COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2CN1C ZINC000195449735 GD Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2CN1C ZINC000195449738 GD Annotated Anodyne COC(=O)C1=C(SC)S[C@@]2(C(=O)OC)[C@@H]3C=C(C)[C@@H]4[C@@H](N13)[C@@]42C(=O)OC ZINC000195454252 GD Annotated Anodyne COC(=O)C1=C(SC)S[C@]2(C(=O)OC)[C@@H]3C=C(C)[C@@H]4[C@@H](N13)[C@@]42C(=O)OC ZINC000195454255 GD Annotated Anodyne COC(=O)C1=C(SC)S[C@@]2(C(=O)OC)[C@H]3C=C(C)[C@@H]4[C@@H](N13)[C@@]42C(=O)OC ZINC000195454261 GD Annotated Anodyne COC(=O)C1=C(SC)S[C@]2(C(=O)OC)[C@H]3C=C(C)[C@@H]4[C@@H](N13)[C@@]42C(=O)OC ZINC000195454266 GD Annotated Anodyne CC1=N[C@]2(C(=O)O)[C@](C(F)(F)F)(O1)[C@@]1(C(F)(F)F)OC(C)=N[C@]21C(=O)O ZINC000195470733 GD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000195497290 GD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000195497295 GD Annotated Anodyne CC1=NNC(=O)[C@@H]1[C@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@@H]1Br ZINC000195497965 GD Annotated Reactive CC1=NNC(=O)[C@H]1[C@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@@H]1Br ZINC000195497969 GD Annotated Reactive CC1=NNC(=O)[C@@H]1[C@@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@@H]1Br ZINC000195497971 GD Annotated Reactive CC1=NNC(=O)[C@H]1[C@@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@@H]1Br ZINC000195497974 GD Annotated Reactive C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@@]4(C(=O)OC)[C@@H](O)O2 ZINC000195499937 GD Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@]4(C(=O)OC)[C@@H](O)O2 ZINC000195499940 GD Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@@]4(C(=O)OC)[C@H](O)O2 ZINC000195499943 GD Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@]4(C(=O)OC)[C@H](O)O2 ZINC000195499945 GD Annotated Anodyne COC(=O)C1=CO[C@@H]2O[C@H]3/C(=C\c4ccc(O)c(OC)c4)C(=O)O[C@@]34C=C[C@@H]1[C@@H]24 ZINC000195508648 GD Annotated Anodyne COC(=O)C1=CO[C@H]2O[C@H]3/C(=C\c4ccc(O)c(OC)c4)C(=O)O[C@@]34C=C[C@@H]1[C@@H]24 ZINC000195508651 GD Annotated Anodyne CC(C)OC(=O)[C@@H](O)[C@H](CO)C1=CC([Si](C)(C)c2ccccc2)=CON1 ZINC000195508698 GD Annotated Anodyne C=CCOC(=O)[C@H]1[C@@H]2CCc3ccccc3[C@@]23O[C@H]1C(C(=O)OC)=C3C(=O)OC ZINC000195516571 GD Annotated Mild CC(=O)OC[C@]12CN(C#N)[C@@H]3[C@@H]4CO[C@@H](C[C@H]41)[C@@]1(C(=O)N(C)c4ccccc41)[C@H]32 ZINC000195517939 GD Annotated Anodyne CC(=O)OC[C@]12CN(C#N)[C@@H]3[C@@H]4CO[C@@H](C[C@H]41)[C@]1(C(=O)N(C)c4ccccc41)[C@H]32 ZINC000195517941 GD Annotated Anodyne CC(=O)OC[C@]12CN(C#N)[C@@H]3[C@@H]4CO[C@H](C[C@H]41)[C@@]1(C(=O)N(C)c4ccccc41)[C@H]32 ZINC000195517943 GD Annotated Anodyne CC(=O)OC[C@]12CN(C#N)[C@@H]3[C@@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)N(C)c4ccccc41)[C@H]32 ZINC000195517945 GD Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)O[C@@H](n2ccc(N)nc2=O)C1(F)F ZINC000195520290 GD Annotated Reactive C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3\OC(=O)C(CO)=C31)O2 ZINC000195524292 GD Annotated Anodyne COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3C[C@H](O)[C@@H](C2)N3C)cc(OC)c1OC ZINC000195961857 GD Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12 ZINC000196536444 GD Annotated Anodyne C=C1CC[C@H](OC)[C@H](C)[C@]2(O)[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H]2OC(=O)[C@]1(C)O[C@@H]1C ZINC000197217270 GD Annotated Mild C=C1[C@@H](C)CC[C@]2(C)C3=C(C(=O)[C@]4(C[C@@H]4C)[C@@H](O)C3=O)[C@H](OC(C)=O)[C@@H](O)[C@@H]12 ZINC000197350594 GD Annotated Mild C/C=C1/CN2CC[C@]34c5cc(OC)ccc5N5C(=O)[C@@H](O)OC[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000197382518 GD Annotated Anodyne COc1cc2c(cc1OS(=O)(=O)O)[C@]13C[C@@H](OC)C=CC1=CCN3CC2 ZINC000198458838 GD Annotated Anodyne COC(=O)C1=CN[C@@H](OC)[C@@H]2[C@@H]1C[C@@H]1c3[nH]c4ccccc4c3CCN1[C@H]2CO ZINC000198566983 GD Annotated Anodyne CCCCC[C@@H]1[C@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@H](C)[C@H]3O ZINC000198567833 GD Annotated Reactive COc1ccc(S(C)(=O)=O)cc1C(=O)NCCSSCCN(C)C ZINC000198575364 GD Annotated Reactive CC1(C)C2=C(O)C(=O)c3c(O)c4c(c(O)c3[C@@]2(C)CC[C@@H]1O)O[C@@H](CO)C4 ZINC000198611618 GD Annotated Mild C[C@@]12CC(=O)[C@H](CC(=O)C[C@@H]3C[C@@H](O[C@@]3(C)CCl)[C@@]34O[C@@H]3[C@@H](C1)OC4=O)O2 ZINC000199134390 GD Annotated Reactive Cc1cc(C)c(CN2CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC2)c(C)c1 ZINC000199199184 GD Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1c2ccccc2OCC(=O)N1CCCN1CCOCC1 ZINC000199208256 GD Annotated Anodyne CC(C)(C)NC(=O)[C@H]1c2ccccc2OCC(=O)N1CCCN1CCOCC1 ZINC000199208271 GD Annotated Anodyne C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1Cc1cccnc1 ZINC000199213486 GD Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1Cc1cccnc1 ZINC000199213506 GD Annotated Anodyne C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CC(F)(F)F ZINC000199214560 GD Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CC(F)(F)F ZINC000199214576 GD Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000199216316 GD Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000199216329 GD Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000199216346 GD Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000199216365 GD Annotated Anodyne CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000199216796 GD Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000199216814 GD Annotated Anodyne CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000199216825 GD Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000199216846 GD Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000199224817 GD Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000199224832 GD Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2)CSCC(=O)N1CCCN1CCOCC1 ZINC000199232234 GD Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2)CSCC(=O)N1CCCN1CCOCC1 ZINC000199232250 GD Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1C1CC1 ZINC000199237514 GD Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1C1CC1 ZINC000199237531 GD Annotated Anodyne COc1ccc(N2CCN([C@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)cc1 ZINC000199242283 GD Annotated Clean COc1ccc(N2CCN([C@@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)cc1 ZINC000199242300 GD Annotated Clean Cc1ccc(S(=O)(=O)N2[C@@H](CO)CO[C@H]2CC(=O)c2ccccc2)cc1 ZINC000199246959 GD Annotated Anodyne O=C1Nc2ccccc2C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1C(=O)NC1CC1 ZINC000199248036 GD Annotated Anodyne O=C1Nc2ccccc2C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1C(=O)NC1CC1 ZINC000199248049 GD Annotated Anodyne COc1c2c(c(OC)c3ccccc13)[C@]1(OC2)O[C@H](CCO)C[C@H](O)[C@H]1O ZINC000199354426 GD Annotated Anodyne CCOC(=O)CNC(=O)N1Cc2ccc(Br)cc2-n2nncc2C1 ZINC000199387403 GD Annotated Anodyne CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccoc3)c(=O)n12 ZINC000199401017 GD Annotated Anodyne CC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccoc3)c(=O)n12 ZINC000199401031 GD Annotated Anodyne C=C(C)[C@@H]1CC(O)=C2C(=O)O[C@](C)(CC(=O)OC)C[C@H]3OC(=O)[C@H]([C@@H]3O)[C@H]2C1 ZINC000199602404 GD Annotated Mild CC(=O)OCC(=O)NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1 ZINC000199720330 GD Annotated Anodyne CCOC(=O)CNC(=O)N1Cc2cc(Br)ccc2-n2nncc2C1 ZINC000199736089 GD Annotated Anodyne C[C@@H]1CN2C[C@H]3CCC(=O)C4=C5C(=C(O)[C@]1(O)C[C@@H]2[C@]53C)C1=C4CCOC1=O ZINC000199777377 GD Annotated Mild N[C@@H]1CCN(Cc2c[nH]c3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1 ZINC000199804967 GD Annotated Clean O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@@H]3CCNC3)c1c2O ZINC000199829521 GD Annotated Clean O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@H]3CCNC3)c1c2O ZINC000199840319 GD Annotated Clean CO[C@H]1CCCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)C1 ZINC000002010414 GD Annotated Reactive Nc1nc2c(ncn2Cc2ccccc2CC(F)(F)P(=O)(O)O)c(=O)[nH]1 ZINC000002014086 GD Annotated Anodyne CN1C(=O)C[C@@](C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)(c2ccccc2)C1=O ZINC000002033471 GD Annotated Anodyne Cc1cc(C)c2c(c1)/C(=c1\sc3n(c1=O)CN(c1ccccc1)CN=3)C(=O)N2 ZINC000002262905 GD Annotated Anodyne CC(=O)N=c1c(C#N)cc2c(=O)n3ccccc3nc2n1CCCOC(C)C ZINC000002422638 GD Annotated Anodyne COCCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456176 GD Annotated Anodyne COCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456186 GD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCN1CCCc2ccccc21 ZINC000002457090 GD Annotated Anodyne O=C(CCNS(=O)(=O)c1cccc2nonc12)Nc1ccc(F)c(F)c1 ZINC000002457746 GD Annotated Anodyne CN(C)CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000002457773 GD Annotated Anodyne Cc1c(C(=O)N2CCN(C)CC2)oc2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002459951 GD Annotated Anodyne Cc1c(C(=O)NCCN(C)C)oc2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002459970 GD Annotated Anodyne O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccccn2)CC1 ZINC000002460778 GD Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000002464883 GD Annotated Anodyne O=C(O)CS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)CC(=O)O)cc2)cc1 ZINC000002468967 GD Annotated Anodyne Cc1ccc(-c2csc(NS(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)n2)cc1 ZINC000002469691 GD Annotated Anodyne Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000002480913 GD Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCO ZINC000002483838 GD Annotated Bother CCCc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000002485885 GD Annotated Anodyne COCCCNc1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C ZINC000002488379 GD Annotated Anodyne COCCCN[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492699 GD Annotated Anodyne COCCCN[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492700 GD Annotated Anodyne O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)NCCC1=CCCCC1 ZINC000002493605 GD Annotated Anodyne Cc1cc(C)c(CN2C(=O)NC(C)(C)C2=O)cc1CN1C(=O)NC(C)(C)C1=O ZINC000002497339 GD Annotated Anodyne Cc1cc(CN2C(=O)NC(C)(C)C2=O)c(CN2C(=O)NC(C)(C)C2=O)cc1C ZINC000002497341 GD Annotated Anodyne CCOC(=O)Cc1nc2nc(N(C)[C@@H](C)[C@@H](O)c3ccccc3)ccc2[nH]c1=O ZINC000002497940 GD Annotated Anodyne CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CC(=O)OCC)nc2n1 ZINC000002499606 GD Annotated Anodyne O=C(NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)c1cccs1 ZINC000020075907 GD Annotated Anodyne CN1CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)CC1 ZINC000020102350 GD Annotated Anodyne O=C(Cn1c(=O)[nH]c2ccsc2c1=O)N1CCN(C2CCCCC2)CC1 ZINC000020116659 GD Annotated Anodyne CCn1cncc1CN1CCC[C@@H]1c1ccc(C(=O)N2CCNC(=O)C2)s1 ZINC000020118825 GD Annotated Anodyne CCn1cncc1CN1CCC[C@H]1c1ccc(C(=O)N2CCNC(=O)C2)s1 ZINC000020118827 GD Annotated Anodyne NS(=O)(=O)c1ccc(/N=N/C2=c3cc(Br)ccc3=NC2=O)cc1 ZINC000020149018 GD Annotated Clean in-vivo CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)/C=C/c3cnn(C)c3)CC2)[C@H]1O ZINC000020149387 GD Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150466 GD Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@H](c2ccccc2OC)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150468 GD Annotated Anodyne CCOC(=O)[C@@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000020150548 GD Annotated Anodyne CCOC(=O)[C@@]1(CCSC)N[C@H](c2ccco2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000020150550 GD Annotated Anodyne CCN1CCN(C(=O)CCC2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)CC1 ZINC000020166351 GD Annotated Anodyne NC(=O)[C@@H]1CCCN1Cc1ccc(-c2nc(C3CCOCC3)cc(=O)[nH]2)cc1 ZINC000020203028 GD Annotated Anodyne CCCCn1c(CN2CCN(C(=O)OCC)CC2)cnc1S(=O)(=O)CC ZINC000020203448 GD Annotated Anodyne COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)CCCn3nc(C)cc3C)C2)cc1 ZINC000020206400 GD Annotated Anodyne C[C@H]1CN(C(=O)CCCn2nnnc2CN2CCc3ccccc3C2)C[C@@H](C)O1 ZINC000020208148 GD Annotated Anodyne COc1ccc(CNCCc2cnn(C)c2)cc1OC[C@@H](O)CN(C)C(C)C ZINC000020210955 GD Annotated Anodyne COc1ccc(CNCCc2cnn(C)c2)cc1OC[C@H](O)CN(C)C(C)C ZINC000020210960 GD Annotated Anodyne CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCN3CCCC3=O)CC2)[C@H]1O ZINC000020212048 GD Annotated Anodyne O=C1CN([C@@H]2c3ccccc3C3(CCN(c4cnccn4)CC3)[C@H]2O)CCCN1 ZINC000020255754 GD Annotated Anodyne Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)no1 ZINC000020281368 GD Annotated Anodyne Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)no1 ZINC000020281372 GD Annotated Anodyne CC(=O)NCCc1nc(-c2c(C)ncc3c2CCN(c2cnccn2)C3)no1 ZINC000020362912 GD Annotated Anodyne Cc1nnc(N2CCC(C(N)=O)CC2)c2c1nnn2Cc1ccccc1Cl ZINC000020447505 GD Annotated Anodyne CC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)nc1N1CCn2cnnc2C1 ZINC000020463613 GD Annotated Anodyne Nc1ncc(Br)cc1S(=O)(=O)N(CCO)Cc1ccccc1 ZINC000020467692 GD Annotated Anodyne CC(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)on1 ZINC000200017465 GD Annotated Anodyne CO[C@H]1O[C@@H](OC(=O)CC(C)C)[C@H]2C(=C1COC(C)=O)C=C[C@@]2(CO)OC ZINC000200798275 GD Annotated Anodyne CN1CC[C@@]23c4cccc(O)c4N4C(=O)C[C@@H]5OCC=C6[C@H]1[C@@]2(O)C[C@@H]6[C@@H]5[C@H]43 ZINC000200864757 GD Annotated Anodyne CN1CC[C@]23C(=O)C[C@H]4C(=CCO[C@H]5CC(=O)N(c6cc(O)ccc62)[C@H]3[C@H]54)C1 ZINC000200867396 GD Annotated Anodyne CN1CC[C@]23C(=O)C[C@H]4C(=CCO[C@H]5CC(=O)N(c6ccc(O)cc62)[C@H]3[C@H]54)C1 ZINC000200867447 GD Annotated Anodyne CS(=O)(=O)c1ccc(N2CC[C@H](Nc3ccc(C(=O)NO)cc3)C2=O)cc1 ZINC000200997650 GD Annotated Anodyne CS(=O)(=O)c1ccc(N2CC[C@@H](Nc3ccc(C(=O)NO)cc3)C2=O)cc1 ZINC000200997684 GD Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000201440101 GD Annotated Bother O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000201440145 GD Annotated Bother COc1nc(OC)nc(N2CCC(C(=O)N(C)Cc3ccccc3F)CC2)n1 ZINC000201449904 GD Annotated Anodyne CN1CCCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1 ZINC000201450894 GD Annotated Anodyne CC(=O)N1CCN(C2=NC(=O)N(c3ccc(Br)cc3)C(=O)C2)CC1 ZINC000201454975 GD Annotated Anodyne COc1ccccc1CNC(=O)NNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000201455162 GD Annotated Reactive O=C(CN(CCc1ccccc1)S(=O)(=O)c1cccs1)N1CCOCC1 ZINC000201463459 GD Annotated Anodyne N#Cc1ccc(-c2cccc(S(=O)(=O)N3CC[C@H](N4CCOCC4)C3)n2)cc1 ZINC000201753991 GD Annotated Mild N#Cc1ccc(-c2cccc(S(=O)(=O)N3CC[C@@H](N4CCOCC4)C3)n2)cc1 ZINC000201754024 GD Annotated Mild C=CCN1C(=O)[C@H](CC(=O)N2CCOCC2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466516 GD Annotated Mild C#CCNC(=O)C[C@H]1C(=O)N(CCCOC)C2=CCCC[C@@]21C(=O)OCC ZINC000203466624 GD Annotated Mild C#CCNC(=O)C[C@H]1C(=O)N(CCCOC)C2=CCCCC[C@]21C(=O)OC ZINC000203466740 GD Annotated Mild CCOCC(=O)NC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccc(OC)cc1 ZINC000203468901 GD Annotated Anodyne COCCCNC(=O)C[C@@H]1C(=O)N2CCCC3=C2[C@@]1(C(=O)OC)CCCC3 ZINC000203468944 GD Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCOCC1 ZINC000203468977 GD Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCCCOC)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469222 GD Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)N2CCOCC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469261 GD Annotated Mild CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000203472328 GD Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000203472363 GD Annotated Anodyne CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)N1CCOCC1)C2 ZINC000203472492 GD Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCCCOC ZINC000203472577 GD Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCOCC1 ZINC000203472608 GD Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)OC)O[C@H]1CO2 ZINC000203473642 GD Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000203473704 GD Annotated Anodyne CCCCNC(=O)[C@]1(C(=O)c2ccc(OC)cc2)CC(C(=O)OCC)=NO1 ZINC000203474027 GD Annotated Anodyne CCCCNC(=O)[C@@]1(C(=O)c2ccc(OC)cc2)CC(C(=O)OCC)=NO1 ZINC000203474030 GD Annotated Anodyne N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)F)nc2)n1 ZINC000204957250 GD Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)F)nc2)n1 ZINC000204957282 GD Annotated Mild O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000020511056 GD Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000020511058 GD Annotated Anodyne O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCCN1CCOCC1 ZINC000020512043 GD Annotated Anodyne C[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000020530333 GD Annotated Anodyne C[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000020530335 GD Annotated Anodyne CN(Cc1ccco1)C(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000020530442 GD Annotated Anodyne Cc1cccc(NC(=O)CCc2nnc3ccc(N4CCN(C)CC4)nn23)n1 ZINC000020530510 GD Annotated Anodyne Cc1ccnc(NC(=O)CCc2nnc3ccc(N4CCN(C)CC4)nn23)c1 ZINC000020530511 GD Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCN(C)C1CCCCC1 ZINC000020531869 GD Annotated Anodyne Cc1ccccc1Cn1cc(C(=O)N2CCN(Cc3cccnc3)CC2)nn1 ZINC000020537442 GD Annotated Anodyne Cc1ccccc1OC[C@@H]1CCCN(C(=O)Cn2ncc(N(C)C)cc2=O)C1 ZINC000020543112 GD Annotated Anodyne Cc1ccccc1OC[C@H]1CCCN(C(=O)Cn2ncc(N(C)C)cc2=O)C1 ZINC000020543115 GD Annotated Anodyne CN1CCN(C(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1 ZINC000020557092 GD Annotated Anodyne Cc1nn([C@@H](C)C(=O)N2CCN(C)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000020563327 GD Annotated Anodyne Cc1nn([C@H](C)C(=O)N2CCN(C)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000020563329 GD Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[C@@H](CC)CN1CCOCC1 ZINC000020582511 GD Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[C@H](CC)CN1CCOCC1 ZINC000020582514 GD Annotated Anodyne CCN1CCN(C2(C(=O)NCc3cnc(C)cn3)Cc3ccccc3C2)CC1 ZINC000020599835 GD Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N3CCN(C)CC3)sc2n1 ZINC000020741164 GD Annotated Anodyne CC(C)OC(=O)CN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000020766934 GD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000020768282 GD Annotated Anodyne CC(C)N1CCC(N2CCN(Cc3cccc4nonc34)C[C@@H]2CCO)CC1 ZINC000020777455 GD Annotated Anodyne O=C(CCCn1nnnc1CN1CCc2ccccc2C1)NC1CCOCC1 ZINC000020782811 GD Annotated Anodyne Cc1nccn1-c1ccc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)cc1 ZINC000020857817 GD Annotated Anodyne CSc1ncc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)cn1 ZINC000020905967 GD Annotated Anodyne CC[C@H]1C(=O)NCCN1c1ccc(C(=O)NCCCc2c(C)noc2C)cn1 ZINC000020908546 GD Annotated Anodyne CC[C@@H]1C(=O)NCCN1c1ccc(C(=O)NCCCc2c(C)noc2C)cn1 ZINC000020908550 GD Annotated Anodyne O=C(CCn1nnnc1CN1CCOCC1)N1CC[C@@H](c2ccccc2F)C1 ZINC000020910140 GD Annotated Anodyne O=C(CCn1nnnc1CN1CCOCC1)N1CC[C@H](c2ccccc2F)C1 ZINC000020910144 GD Annotated Anodyne O=C1CN([C@@H]2c3ccccc3C3(CCN(c4ncccn4)CC3)[C@H]2O)CCCN1 ZINC000020916929 GD Annotated Anodyne CN1CCC(N2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)CC1 ZINC000020996565 GD Annotated Anodyne CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)CC1 ZINC000020998840 GD Annotated Anodyne CCOC(=O)N1CCN([C@H]2CCCN(C(=O)CCN3CCCCO3)C2)CC1 ZINC000020998842 GD Annotated Anodyne Cc1noc(C)c1CN1CCN2C=C(C(=O)NCc3ccco3)OC2=NC1=O ZINC000205209716 GD Annotated Anodyne CC(C)Oc1ccc(C(=O)N2CCn3c(nnc3C(=O)NCC3CC3)C2)cc1 ZINC000205221525 GD Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C1 ZINC000205222910 GD Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 ZINC000205222928 GD Annotated Anodyne O=C(c1ccc2occc2c1)N1CCn2c(nnc2C(=O)N2CCOCC2)C1 ZINC000205230419 GD Annotated Anodyne NC1=N[C@H]2[C@H](/N=N/c3ccc(Br)cc3)C(N)=NN2c2n[nH]c(N)c21 ZINC000205259484 GD Annotated Clean NC1=N[C@@H]2[C@H](/N=N/c3ccc(Br)cc3)C(N)=NN2c2n[nH]c(N)c21 ZINC000205259500 GD Annotated Clean CCOC(=O)CCNC(=O)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000205358961 GD Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](OC(C)=O)[C@@H](OC)[C@H](OC)C3=CCN(C2)[C@H]31 ZINC000205374852 GD Annotated Anodyne Cn1c(OC2CCN(CCC3CCNCC3)CC2)nc(-c2ccncn2)cc1=O ZINC000205415451 GD Annotated Anodyne CO[C@@H]1C=C(CO)[C@@H]2C1=C(COC(C)=O)[C@H](OC)O[C@H]2OC(=O)CC(C)C ZINC000205468101 GD Annotated Anodyne CO[C@H]1O[C@@H](OC(=O)CC(C)C)[C@@H]2C(CO)=C[C@@H](OC)C2=C1COC(C)=O ZINC000205468118 GD Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@]2(O)[C@H](O)CCN2C1=O ZINC000205634671 GD Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000205787249 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cncnc1 ZINC000205787499 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cncnc1 ZINC000205787517 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cnccn1 ZINC000205787535 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cnccn1 ZINC000205787550 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncccn1 ZINC000205787571 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncccn1 ZINC000205787588 GD Annotated Mild CC(=O)N[C@@H]1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21 ZINC000205787882 GD Annotated Mild CC(=O)N[C@H]1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21 ZINC000205787901 GD Annotated Mild CN1[C@H]2CC[C@H]1CC(O)(C#Cc1ccc3c(c1)-c1nc(C(N)=O)cn1CCO3)C2 ZINC000205788018 GD Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)C[C@@H]4CC[C@H](C3)N4)ccc1OCC2 ZINC000205788059 GD Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1cn[nH]c1 ZINC000205796344 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccccn1 ZINC000205798348 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccccn1 ZINC000205798367 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(F)(F)F ZINC000205798391 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(F)(F)F ZINC000205798404 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cn[nH]c1 ZINC000205808372 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cn[nH]c1 ZINC000205808395 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cccnn1 ZINC000205808423 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cccnn1 ZINC000205808445 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1nccs1 ZINC000205808554 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1nccs1 ZINC000205808573 GD Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#C[C@]3(O)CCc4cccnc43)ccc1OCC2 ZINC000205810470 GD Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#C[C@@]3(O)CCc4cccnc43)ccc1OCC2 ZINC000205810492 GD Annotated Mild CN1CCC[C@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O ZINC000205810517 GD Annotated Mild CN1CCC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O ZINC000205810539 GD Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](F)CO3)no1 ZINC000205817344 GD Annotated Mild N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CS(=O)(=O)[C@@H]1c1cc(F)cc(F)c1F ZINC000205818668 GD Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CS(=O)(=O)[C@H]1c1cc(F)cc(F)c1F ZINC000205818684 GD Annotated Anodyne Nc1ncnn2c(CN3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000205819077 GD Annotated Anodyne NC(=O)c1n[nH]c2c1CN([C@H]1CS[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000205836309 GD Annotated Anodyne COC(=O)C1=CNC(=O)[C@H]2[C@@H]1C[C@H]1c3[nH]c4ccccc4c3CCN1[C@H]2CO ZINC000205836590 GD Annotated Anodyne CCOC(=O)N1C(=O)C[C@H](C(=O)N2CCOCC2)[C@H]1c1ccc(OC)cc1 ZINC000206024310 GD Annotated Anodyne C[C@H]1[C@@H](NS(=O)(=O)c2cn(C)cn2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042662 GD Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000206059240 GD Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000206059263 GD Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206064042 GD Annotated Anodyne CC(C)NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000206064965 GD Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065184 GD Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065220 GD Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065862 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)[C@@H](C)CC[C@H]2O[C@]21C=O ZINC000206074251 GD Annotated Mild O=C1N=C(O)[C@H]2[C@H]1[C@]1(c3ccccc3)N[C@]2(c2ccccc2)[C@@H]2C(=O)NC(=O)[C@H]21 ZINC000206209581 GD Annotated Anodyne CN1CN(Cc2ccccc2)CN(CC(=O)C[C@@H]2CNC(=O)c3cccn32)C1=O ZINC000206394387 GD Annotated Anodyne Nc1ncnn2c(CN3CCC[C@H](O)C3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000206397271 GD Annotated Anodyne Nc1ncnn2c(CN3CCC[C@@H](O)C3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000206397304 GD Annotated Anodyne Nc1ncnn2c(CN3CCC(O)CC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000206407727 GD Annotated Anodyne Nc1ncnn2c([C@]3(O)CCCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000206408926 GD Annotated Anodyne Nc1ncnn2c([C@@]3(O)CCCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000206408962 GD Annotated Anodyne Nc1ncnn2c(CN3CC[C@H](O)C3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000206421715 GD Annotated Anodyne Nc1ncnn2c(CN3CC[C@@H](O)C3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000206421750 GD Annotated Anodyne CCn1nc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)ccc1=O ZINC000206797798 GD Annotated Anodyne Cc1cc(=O)c2c(O)c3c(cc2o1)C(=O)C(=O)C(CN1CCC[C@@H]1C(=O)O)=C3O ZINC000206851913 GD Annotated Mild CCCCN(Cc1ncc(Cl)n1C)[C@@H]1C(=O)NC(=O)N(CCCC)[C@@H]1N ZINC000206989349 GD Annotated Anodyne CCCCN(Cc1ncc(Cl)n1C)[C@@H]1C(=O)NC(=O)N(CCCC)[C@H]1N ZINC000206989396 GD Annotated Anodyne CCCCN1C(=O)NC(=O)[C@H](N(CCCC)Cc2ncc(Cl)n2C)[C@H]1N ZINC000206989442 GD Annotated Anodyne CCCCN(Cc1ncc(Cl)n1C)[C@H]1C(=O)NC(=O)N(CCCC)[C@H]1N ZINC000206989486 GD Annotated Anodyne COc1cc([C@@H]2Oc3cc(/C=C\CO)cc(OC)c3O[C@H]2CO)cc(O)c1O ZINC000207205121 GD Annotated Clean Nc1ncc(-c2nc(-c3ccccc3)cs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 ZINC000207481270 GD Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CC/C=C/C(=O)Nc2ccc(C(=O)O)cc2)[C@H](O)C[C@H]1O ZINC000207540429 GD Annotated Anodyne in-vitro C=C1[C@H](O)[C@@H](O)[C@]2(C[C@H]3C(C)=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)O[C@@H]2[C@@H]1O ZINC000207768172 GD Annotated Mild CCN(CC(=O)NCCOc1ccccc1)C[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1 ZINC000208033580 GD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(CCC#N)Cc1ccco1 ZINC000208967088 GD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(CCC#N)Cc1ccco1 ZINC000208967153 GD Annotated Anodyne C/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)C[C@H](O)C[C@H](O)Cc1cc(O)cc(=O)o1 ZINC000209289287 GD Annotated Anodyne COc1ccc2c(c1)=C(CCNC(C)=O)C1=Cc3c(C)cc(C)n3[B-](F)(F)[N+]=21 ZINC000211465983 GD Annotated Anodyne COc1cc(/C=C/CO)ccc1Oc1ccc([C@@H](O)[C@H](O)CO)cc1OC ZINC000211910431 GD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1cccc(N(C)C)c1 ZINC000212183284 GD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1cccc(N(C)C)c1 ZINC000212183409 GD Annotated Anodyne O=C(O)/C(=C/c1ccc(O)c(O)c1)[C@H](c1ccc(O)c(O)c1)[C@H](O)C(=O)O ZINC000213249601 GD Annotated Clean Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](F)CO3)no1 ZINC000213609430 GD Annotated Mild CC(C)(C)OC(=O)N1C[C@H](N2CCNCC2)C[C@@H]1C(=O)N1CCC(F)(F)C1 ZINC000213701413 GD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](N2CCNCC2)C[C@@H]1C(=O)N1CCC(F)(F)C1 ZINC000213701458 GD Annotated Anodyne CCCN1CCN(CCCNC(=O)CCc2c(C)nn3cnnc3c2C)CC1 ZINC000021540659 GD Annotated Anodyne Cc1ccccc1-c1nc(SCC(=O)NC[C@@H]2CCCO2)n2[nH]c(=O)cc2n1 ZINC000021911211 GD Annotated Anodyne Cc1ccccc1-c1nc(SCC(=O)NC[C@H]2CCCO2)n2[nH]c(=O)cc2n1 ZINC000021911215 GD Annotated Anodyne Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)no1 ZINC000215739192 GD Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2C)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000215739762 GD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@H](CC(=O)O)CO2 ZINC000215742502 GD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@@H](CC(=O)O)CO2 ZINC000215742551 GD Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)no1 ZINC000215743391 GD Annotated Mild Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000215747139 GD Annotated Mild Cc1nc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000215747187 GD Annotated Mild Cn1ccnc1[C@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000215747386 GD Annotated Mild Cn1ccnc1[C@@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000215747430 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncc[nH]1 ZINC000215747503 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncc[nH]1 ZINC000215747552 GD Annotated Mild Cc1ncc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)[nH]1 ZINC000215747760 GD Annotated Mild Cc1ncc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)[nH]1 ZINC000215747811 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cnc[nH]1 ZINC000215748312 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cnc[nH]1 ZINC000215748358 GD Annotated Mild Cn1cnc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)c1 ZINC000215748552 GD Annotated Mild Cn1cnc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)c1 ZINC000215748597 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccncn1 ZINC000215749156 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccncn1 ZINC000215749209 GD Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1nncs1 ZINC000215751610 GD Annotated Mild C[C@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1nncs1 ZINC000215751661 GD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CCCC3)n1CCO2 ZINC000215752200 GD Annotated Mild CC(C)NCc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2 ZINC000215752610 GD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(Cn3cccn3)n1CCO2 ZINC000215753659 GD Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2CC3C2)C1=O ZINC000215756448 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C1CC1)CO ZINC000215758904 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C1CC1)CO ZINC000215758950 GD Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2CCO3)no1 ZINC000215774777 GD Annotated Mild C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000215989806 GD Annotated Mild CC(C)CN1C(=O)NC(=O)[C@@H]2[C@H](C(=O)NCc3ccccn3)C[C@H](C3CC3)N[C@@H]21 ZINC000216594464 GD Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@H]2[C@H]1N[C@@H](C1CC1)C[C@H]2C(=O)NCc1ccccn1 ZINC000216594510 GD Annotated Anodyne N[C@@H](CC(=O)N1CC(=O)Nc2nccnc2C1)[C@H]1CCc2cc(F)c(F)cc21 ZINC000218043198 GD Annotated Anodyne C=C(C(=O)[C@H](COC(C)=O)[C@H](O)[C@@]1(C)O[C@@H]1[C@@H](C)/C=C\C)[C@H](O)CC(=O)CC ZINC000218360343 GD Annotated Mild CNC(=O)[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(Cl)cc21 ZINC000219005216 GD Annotated Anodyne CC(=O)NC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(Cl)cc21 ZINC000219012402 GD Annotated Anodyne CC(=O)Nc1ccc(/C=N/N=C(\N)N/N=C/c2ccc(NC(C)=O)cc2)cc1 ZINC000219132463 GD Annotated Mild N=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000219132659 GD Annotated Mild CN1CCN(c2ccc(F)c(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c2)CC1 ZINC000219292285 GD Annotated Mild N#C[C@H](Cc1ccc(-n2cc(C3CC3)nn2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219296183 GD Annotated Mild N#C[C@H](Cc1ccc(-c2cc(C(N)=O)co2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219296676 GD Annotated Mild CN1CC2(C1)CN(c1ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c1)C2 ZINC000219312348 GD Annotated Mild CCN1CCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1 ZINC000219312512 GD Annotated Mild CN1CCCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1 ZINC000219313953 GD Annotated Mild C[C@H]1CN(C)CCN1c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 ZINC000219319748 GD Annotated Mild COCc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219320723 GD Annotated Mild CC(=O)c1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219321651 GD Annotated Mild N#C[C@H](Cc1ccc(-c2cc[nH]c(=O)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219321878 GD Annotated Mild N#C[C@H](Cc1ccc(-c2ccc(=O)[nH]c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219323618 GD Annotated Mild C[C@@H]1CN(C)CCN1c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 ZINC000219325007 GD Annotated Mild CNC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C ZINC000219395230 GD Annotated Anodyne CNC(=O)[C@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C ZINC000219395311 GD Annotated Anodyne CNC(=O)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C ZINC000219395386 GD Annotated Anodyne C[C@@H]1COc2ccc(C#C[C@@](C)(O)c3ncccn3)cc2-n2nc(C(N)=O)cc21 ZINC000219420686 GD Annotated Mild Cn1cc(-c2c(C(N)=O)nc3n2CCOc2ccc(C#CC(C)(C)O)cc2-3)cn1 ZINC000219424171 GD Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219439447 GD Annotated Mild CN1CC[C@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)C1=O ZINC000219446788 GD Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)n(C)c2C2CC3C2)C1=O ZINC000219449367 GD Annotated Mild CN1CC[C@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)n(C)c2C2CC3C2)C1=O ZINC000219449452 GD Annotated Mild Cc1nnc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](C)CO3)o1 ZINC000219452044 GD Annotated Mild Cc1nnc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](C)CO3)o1 ZINC000219452120 GD Annotated Mild Cc1nnc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](C)CO3)o1 ZINC000219452190 GD Annotated Mild Cc1nnc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](C)CO3)o1 ZINC000219452273 GD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@H](CC(N)=O)CO2 ZINC000219455485 GD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@@H](CC(N)=O)CO2 ZINC000219455555 GD Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)C1=O ZINC000219455926 GD Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CNC=O ZINC000219463333 GD Annotated Mild C[C@@H]1COc2ccc(C#C[C@]3(O)CCNC3=O)cc2-c2nc(C(N)=O)sc21 ZINC000219470689 GD Annotated Mild C[C@H]1COc2ccc(C#C[C@]3(O)CCNC3=O)cc2-c2nc(C(N)=O)sc21 ZINC000219470762 GD Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1ccn[nH]1 ZINC000219474477 GD Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](C)CO3)no1 ZINC000219475538 GD Annotated Mild C[C@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-c2nc(C(N)=O)sc21 ZINC000219483359 GD Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](C)CO3)no1 ZINC000219484816 GD Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1ncns1 ZINC000219485533 GD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(-c3cn[nH]c3)n1CCO2 ZINC000219490899 GD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)c1ncn[nH]1 ZINC000219493348 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)c1ncn[nH]1 ZINC000219493422 GD Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2 ZINC000219497648 GD Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)C1=O ZINC000219498820 GD Annotated Mild CN1CC[C@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)C1=O ZINC000219502532 GD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(C#CC(C)(C)O)n1CCO2 ZINC000219503651 GD Annotated Mild C[C@@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-c2nc(C(N)=O)sc21 ZINC000219504793 GD Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC3(O)CCC3)cc1-2 ZINC000219505473 GD Annotated Mild C[C@H]1COc2ccc(C#C[C@@](C)(O)c3ncccn3)cc2-n2nc(C(N)=O)cc21 ZINC000219516446 GD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(-c3ccn[nH]3)n1CCO2 ZINC000219518823 GD Annotated Mild CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(COC)cc2)cc1 ZINC000219536365 GD Annotated Bother CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(COC)cc2)cc1 ZINC000219536439 GD Annotated Bother C[C@@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)c1ncn[nH]1 ZINC000219575735 GD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)c1ncn[nH]1 ZINC000219575808 GD Annotated Mild NC(=O)c1cc2n(n1)-c1cc(C#CC3(O)CCCC3)ccc1OCC21COC1 ZINC000219605776 GD Annotated Mild COc1ccc(C[C@@]2(O)COc3c(OC)c(OC)cc(O)c3C2=O)cc1OC ZINC000219938423 GD Annotated Anodyne CN1CCN(CCCNC(=O)[C@]2(C)CON=C2c2ccc(N(C)C)cc2)CC1 ZINC000022027375 GD Annotated Anodyne CN1CCN(CCCNC(=O)[C@@]2(C)CON=C2c2ccc(N(C)C)cc2)CC1 ZINC000022027378 GD Annotated Anodyne CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1cc[n+]([O-])cc1C2=O ZINC000022040795 GD Annotated Clean CCOC(=O)C1=C(C)N(C)[C@@]23O[C@@]4(C(=O)OC)C[C@@H]2c2ccccc2[C@@H]1N3C4=O ZINC000022204807 GD Annotated Anodyne O[C@@H](CSc1[nH]cnc2ncnc1-2)CN1CCN(Cc2ccccc2)CC1 ZINC000022442952 GD Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@H](CN1CCOCC1)N1CCSCC1 ZINC000022452741 GD Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@H](CN1CCSCC1)N1CCOCC1 ZINC000022452751 GD Annotated Anodyne C[C@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1ncns1 ZINC000220010832 GD Annotated Mild CN(C)C(=O)COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O ZINC000220112854 GD Annotated Anodyne CN(C)C(=O)COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O ZINC000220112937 GD Annotated Anodyne N#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220175271 GD Annotated Anodyne N#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220175338 GD Annotated Anodyne COc1cc2c(C)c(CCC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O ZINC000220401258 GD Annotated Anodyne CCNC(=O)CCc1c(C)c2c(OCCOC)cc(O)c(C=O)c2oc1=O ZINC000220401495 GD Annotated Anodyne COc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)N3CCOCC3)c(C)c12 ZINC000220405204 GD Annotated Anodyne COc1cc2c(C)c(CCC(=O)NCCN(C)C)c(=O)oc2c(C=O)c1O ZINC000220422623 GD Annotated Anodyne COc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)N3CCN(C)CC3)c(C)c12 ZINC000220433706 GD Annotated Anodyne CN1CCN(C(=O)c2cnc(N3CCc4c(ccc(O)c4C=O)C3)s2)CC1 ZINC000221062052 GD Annotated Anodyne CN1CCN(c2ncc(C(=O)N3CCc4c(ccc(O)c4C=O)C3)s2)CC1 ZINC000221062730 GD Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[P@@](=O)(c3ccccc3)[C@H](N)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000221138643 GD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CC3)CC4)n2)cn1 ZINC000221189743 GD Annotated Anodyne CC(=O)N1C[C@H]2C(c3cc(-c4cnc(N)nc4)nc(N4CC5CC4C5)n3)[C@@H]2C1 ZINC000221189819 GD Annotated Anodyne CC(=O)N1C[C@@H]2C(c3cc(-c4cnc(N)nc4)nc(N4CC5CC4C5)n3)[C@H]2C1 ZINC000221189933 GD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cn1 ZINC000221203390 GD Annotated Anodyne CCS(=O)(=O)c1cc2c(cc1F)C(C)(C)CN2C(=O)CN1CCN[C@H](C)C1 ZINC000221249317 GD Annotated Anodyne CC1(O)C[C@@H]2CC[C@H](C1)N2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1 ZINC000221256844 GD Annotated Anodyne N#Cc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cnc1N ZINC000221257411 GD Annotated Anodyne Nc1ncc(-c2cc(N3[C@H]4CC[C@H]3CC(O)C4)nc(N3CC4CC3C4)n2)cn1 ZINC000221269436 GD Annotated Anodyne Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(N3CC(F)C3)n2)cn1 ZINC000221282504 GD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC3)n2)cc1OC(F)F ZINC000221344131 GD Annotated Anodyne CC(C)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1 ZINC000221359903 GD Annotated Anodyne CCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1 ZINC000221359992 GD Annotated Anodyne Cc1c(CCC(=O)NCCN2CCOCC2)c(=O)oc2c(C=O)c(O)ccc12 ZINC000221399779 GD Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nnc(S(C)(=O)=O)o2)n1 ZINC000222598116 GD Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NNC=O)[nH]c12 ZINC000222685649 GD Annotated Reactive CC(C)=CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O ZINC000222910598 GD Annotated Anodyne CC[C@@H](C)C(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O ZINC000222923314 GD Annotated Anodyne CC[C@H](C)C(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O ZINC000222923379 GD Annotated Anodyne CS(=O)(=O)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 ZINC000223664120 GD Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3nncc3N)c2F)cn1 ZINC000224552461 GD Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3nncc3N)c2F)cn1 ZINC000224552508 GD Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cn1 ZINC000224704530 GD Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cn1 ZINC000224718399 GD Annotated Anodyne C[C@@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1 ZINC000224753631 GD Annotated Anodyne NC(=O)CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224788437 GD Annotated Anodyne NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224801788 GD Annotated Anodyne C[C@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1 ZINC000224837046 GD Annotated Anodyne COC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(C)=O ZINC000224970114 GD Annotated Anodyne Nc1ccccc1C(=O)N/N=C1/C2CN3CCN(C2)CC1(Cc1ccccc1)C3 ZINC000022920684 GD Annotated Reactive COc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCNCC3)=C(O)C2)cc1OC ZINC000022922783 GD Annotated Mild CCN1CCN(C)C[C@@H](NC(=O)c2cc(Cl)cc3c2OCC(=O)N3C)C1 ZINC000022928233 GD Annotated Anodyne CN1CCN(Cc2ccc(C(=O)c3csc(S(N)(=O)=O)c3)cc2)CC1 ZINC000022935651 GD Annotated Anodyne O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN(Cc2ccccc2)CC1 ZINC000022935804 GD Annotated Anodyne CC1=C(CCC(=O)NCCCN2CCN(C)CC2)C(=O)c2c(O)cccc2C1=O ZINC000022941762 GD Annotated Mild Cn1ncnc1COc1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225065702 GD Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OCCn3ccnn3)nccc2c1 ZINC000225089396 GD Annotated Anodyne CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000225123508 GD Annotated Bother CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000225123545 GD Annotated Bother CCOc1ccc(-c2ccc(C(=O)N(C)[C@@H](C(=O)NC)C(=O)NO)cc2)cc1 ZINC000225150047 GD Annotated Bother CCOc1ccc(-c2ccc(C(=O)N(C)[C@H](C(=O)NC)C(=O)NO)cc2)cc1 ZINC000225150088 GD Annotated Bother CCOc1ccc(-c2ccc(C(=O)N(C)[C@@](C)(C(=O)NC)C(=O)NO)cc2)cc1 ZINC000225170005 GD Annotated Bother C=C(CO)[C@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2cc4c(cc2O[C@@H]31)OCO4 ZINC000225234319 GD Annotated Mild COc1ccc(C[C@]2(O)COc3c(OC)c(OC)cc(O)c3C2=O)cc1O ZINC000226035159 GD Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccnn2C)C3)n1 ZINC000226057390 GD Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2cnccn2)C3)n1 ZINC000226064223 GD Annotated Anodyne CN1CCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1 ZINC000226090222 GD Annotated Mild CCOCCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@@]1(C)O3 ZINC000226386048 GD Annotated Anodyne CCOCCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@@]1(C)O3 ZINC000226386059 GD Annotated Anodyne CCOCCCNC(=O)[C@@H]1[C@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@@]1(C)O3 ZINC000226386066 GD Annotated Anodyne CCOCCCNC(=O)[C@H]1[C@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@@]1(C)O3 ZINC000226386072 GD Annotated Anodyne O=C(NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)c1cccs1 ZINC000227251393 GD Annotated Anodyne O=C(c1ccco1)N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 ZINC000023128395 GD Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N(C)[C@@H](C)c2ccon2)CC1 ZINC000023145043 GD Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N(C)[C@H](C)c2ccon2)CC1 ZINC000023145047 GD Annotated Anodyne O=C(NCCc1nnn[nH]1)c1ccc([C@H]2CCCN2Cc2ccncc2)s1 ZINC000023153550 GD Annotated Anodyne CC(C)N(C)[C@@H]1c2ccccc2C2(CCN(S(=O)(=O)N(C)C)CC2)[C@H]1O ZINC000023158864 GD Annotated Anodyne CN1CCN(S(=O)(=O)C[C@@]2(C)[C@@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1 ZINC000023211767 GD Annotated Reactive CN1CCN(S(=O)(=O)C[C@]2(C)[C@@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1 ZINC000023211769 GD Annotated Reactive Cc1nc(CN2CCN(C(=O)Nc3nnc(C(F)(F)F)s3)CC2)no1 ZINC000023231503 GD Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCCOCC1)[C@@H]2O ZINC000023232426 GD Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@@H](CN1CCOCC1)N1CCSCC1 ZINC000023247547 GD Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@@H](CN1CCSCC1)N1CCOCC1 ZINC000023247549 GD Annotated Anodyne O=C(Cn1ncc(N2CCCC2)cc1=O)NCc1coc(-c2ccccc2)n1 ZINC000023250582 GD Annotated Anodyne CCc1nc(C)c(C(=O)NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)s1 ZINC000023337769 GD Annotated Anodyne CCc1nc(C)c(C(=O)NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)s1 ZINC000023337771 GD Annotated Anodyne Cc1nc([C@@H](C)N(C)C(=O)CCn2nnnc2CN2CCOCC2)c(C)s1 ZINC000023338043 GD Annotated Anodyne Cc1nc([C@H](C)N(C)C(=O)CCn2nnnc2CN2CCOCC2)c(C)s1 ZINC000023338045 GD Annotated Anodyne CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC000023338741 GD Annotated Anodyne CCOC(=O)N1CCN([C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC000023338743 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cc(C(C)(C)N)nn3)C2)s1 ZINC000023366539 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cc(C(C)(C)N)nn3)C2)s1 ZINC000023366543 GD Annotated Anodyne COc1ccc(Cc2[nH]nc3c2CN(S(=O)(=O)N2CCCC2)CC3)cc1 ZINC000023367160 GD Annotated Anodyne O=c1cc(CCn2cccn2)nc(-c2ccccc2CN2CCC[C@@H](O)C2)[nH]1 ZINC000023379776 GD Annotated Anodyne O=c1cc(CCn2cccn2)nc(-c2ccccc2CN2CCC[C@H](O)C2)[nH]1 ZINC000023379778 GD Annotated Anodyne Cc1cc(NC(=O)Cn2cc(-c3cc(-n4cccn4)nc(C)n3)cn2)n(C)n1 ZINC000023380218 GD Annotated Anodyne Oc1cc(CCc2cn[nH]c2)nc2nc(N3CCN(c4ccccc4)CC3)nn12 ZINC000023380243 GD Annotated Anodyne Cn1ncc(N2CC[C@@H](CNC(=O)CCc3cn4ccccc4n3)C2)cc1=O ZINC000023399728 GD Annotated Anodyne Cn1ncc(N2CC[C@H](CNC(=O)CCc3cn4ccccc4n3)C2)cc1=O ZINC000023399731 GD Annotated Anodyne Cc1nc([C@@H]2CCCN(Cc3c(C)nn(C)c3N3CCOCC3)C2)cc(=O)[nH]1 ZINC000023431533 GD Annotated Anodyne Cc1nc([C@H]2CCCN(Cc3c(C)nn(C)c3N3CCOCC3)C2)cc(=O)[nH]1 ZINC000023431538 GD Annotated Anodyne Cc1cc(C)nc(N2CCN([C@@H]3c4ccccc4C4(CCNCC4)[C@H]3O)CC2)n1 ZINC000023478524 GD Annotated Anodyne O=C1CC[C@@H](c2cc(O)n3nc(N4CCN(c5ccccc5)CC4)nc3n2)N1 ZINC000023478868 GD Annotated Anodyne Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](Cn2cc(CN)nn2)C1 ZINC000023478908 GD Annotated Anodyne Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](Cn2cc(CN)nn2)C1 ZINC000023478910 GD Annotated Anodyne O[C@H]1[C@H](N2CCN(CCn3ccnc3)CC2)c2ccccc2C12CCNCC2 ZINC000023478993 GD Annotated Anodyne Cc1nc(C2CCN(C(=O)CN3CCOc4ccccc4C3)CC2)cc(=O)[nH]1 ZINC000023479195 GD Annotated Anodyne CC(C)=C1C[C@@]2(O)[C@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@@]32O)C1(C)C ZINC000230066631 GD Annotated Mild in-man CC(C)=C1C[C@]2(O)[C@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@@]32O)C1(C)C ZINC000230066637 GD Annotated Mild in-man endogenous COC1=C[C@@H](C)[C@@H]2C[C@@H]3O[C@@H](O)C[C@@H]4[C@@H](C)C(=O)[C@@H](O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000230087959 GD Annotated Mild in-man COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@@H](O)C[C@@H]4[C@@H](C)C(=O)[C@@H](O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000230087964 GD Annotated Mild in-man COC1=C[C@@H](C)[C@H]2C[C@@H]3O[C@@H](O)C[C@@H]4[C@@H](C)C(=O)[C@@H](O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000230087970 GD Annotated Mild in-man COC1=C[C@H](C)[C@H]2C[C@@H]3O[C@@H](O)C[C@@H]4[C@@H](C)C(=O)[C@@H](O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000230087977 GD Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@@]4(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]4[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000230088143 GD Annotated Mild in-man C=C1[C@@H]2CC[C@H]3[C@@]4(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]4[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000230088148 GD Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@@]4(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]4[C@H](C(=O)O)[C@@]3(C2)[C@@H]1O ZINC000230088156 GD Annotated Mild in-man C=C1[C@@H]2CC[C@H]3[C@@]4(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]4[C@H](C(=O)O)[C@@]3(C2)[C@@H]1O ZINC000230088161 GD Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088371 GD Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088373 GD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088376 GD Annotated Mild in-man C=C1C[C@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088377 GD Annotated Mild in-man C=C1[C@@H]2CC(=O)O[C@H]3C[C@H]4[C@H](C)C=C(OC)C(=O)[C@]4(C)[C@@H]([C@H](O)[C@@H]1O)[C@]32C ZINC000230097686 GD Annotated Mild in-man C=C1[C@H](O)[C@@H](O)[C@@H]2[C@@]3(C)C(=O)C(OC)=C[C@@H](C)[C@@H]3C[C@@H]3OC(=O)C[C@@H]1[C@@]32C ZINC000230097690 GD Annotated Mild in-man C=C1[C@@H]2CC(=O)O[C@H]3C[C@H]4[C@H](C)C=C(OC)C(=O)[C@]4(C)[C@@H]([C@@H](O)[C@@H]1O)[C@]32C ZINC000230097698 GD Annotated Mild in-man C=C1[C@H](O)[C@H](O)[C@@H]2[C@@]3(C)C(=O)C(OC)=C[C@@H](C)[C@@H]3C[C@@H]3OC(=O)C[C@@H]1[C@@]32C ZINC000230097706 GD Annotated Mild in-man C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 ZINC000230097769 GD Annotated Reactive in-man C=C1C(=O)O[C@H]2[C@@H]1C[C@@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 ZINC000230097777 GD Annotated Reactive in-man C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 ZINC000230097781 GD Annotated Reactive in-man CC(=O)O[C@@H]1[C@H](OC(C)=O)C(C)=CC[C@@]12[C@H]1[C@@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000230098693 GD Annotated Anodyne in-man CC(=O)O[C@H]1C(C)=CC[C@]2([C@@H]1OC(C)=O)[C@H]1[C@@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000230098699 GD Annotated Anodyne in-man CC(=O)O[C@@H]1[C@H](OC(C)=O)C(C)=CC[C@]12[C@H]1[C@@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000230098703 GD Annotated Anodyne in-man CC(=O)O[C@H]1C(C)=CC[C@@]2([C@@H]1OC(C)=O)[C@H]1[C@@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000230098708 GD Annotated Anodyne in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C=O)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230103123 GD Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C=O)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230103128 GD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C=O)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230103135 GD Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]1(C=O)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230103141 GD Annotated Mild in-man C=C1[C@@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230103592 GD Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230103597 GD Annotated Mild in-man C=C1[C@@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230103606 GD Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230103789 GD Annotated Mild in-man COC(=O)c1ccc(CCNc2nc3cc4[nH]c(N)nc(=O)c4cc3[nH]2)cc1 ZINC000230498151 GD Annotated Anodyne in-vitro O=C(OCC1CCN(C[C@H](O)CO)CC1)c1c2n(c3ccccc13)CCCO2 ZINC000231433462 GD Annotated Anodyne O=C(OCC1CCN(C[C@@H](O)CO)CC1)c1c2n(c3ccccc13)CCCO2 ZINC000231433491 GD Annotated Anodyne Cc1ccccc1[C@@H]1CCCN(C(=O)CN2C(=O)NC3(CCNCC3)C2=O)C1 ZINC000023506998 GD Annotated Anodyne Cc1ccccc1[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCNCC3)C2=O)C1 ZINC000023507001 GD Annotated Anodyne O[C@H]1[C@H](N2CCCN(c3ncccn3)CC2)c2ccccc2C12CCNCC2 ZINC000023543427 GD Annotated Anodyne CC(C)(N)c1cn(C[C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)nn1 ZINC000023580719 GD Annotated Anodyne CC(C)(N)c1cn(C[C@H]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)nn1 ZINC000023580721 GD Annotated Anodyne CCCCCc1nnc(NC(=O)N2CCC(NS(C)(=O)=O)CC2)s1 ZINC000023581573 GD Annotated Anodyne O[C@H]1[C@H](N2CCN(CCn3cccc3)CC2)c2ccccc2C12CCNCC2 ZINC000023581840 GD Annotated Anodyne COC1=C(C)[C@@H]2CC(=O)O[C@@H]3[C@H](O)[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@H](C1=O)[C@@]32C ZINC000238730718 GD Annotated Mild C=C1C[C@@H](O)[C@@H]2[C@@H](C(=O)OC[C@]23CCC[C@@](C)(COC(C)=O)[C@H]3C=O)C1=O ZINC000238730943 GD Annotated Mild COC(=O)[C@H]1OCC=C2CN3CC[C@]45c6ccccc6N(C(C)=O)[C@H]4[C@H]1[C@H]2C[C@H]35 ZINC000238730992 GD Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@H](C)C(=O)CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O ZINC000238731053 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)O[C@@H]2OC ZINC000238731071 GD Annotated Mild COC1=CC[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238731099 GD Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@@H]12 ZINC000238731379 GD Annotated Anodyne CS[C@]1([C@H](C)O)NC(=O)[C@@](Cc2c[nH]c3ccccc23)(SC)NC1=O ZINC000238731572 GD Annotated Anodyne COC(=O)[C@]12CO[C@@H]3N(C)[C@H]1Cc1c([nH]c4ccccc14)C(=O)C[C@H]2[C@]31O[C@H]1C ZINC000238731584 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)CC(C)C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 ZINC000238732381 GD Annotated Reactive C=CC[C@]12C[C@@H](OC)[C@H](O)[C@H](O)[C@]1(O)O[C@@H](c1ccc(OC)c(OC)c1)[C@H]2C ZINC000238732782 GD Annotated Mild CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@]3(C)O[C@@H]3CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O ZINC000238733110 GD Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)[C@]1(C)O[C@H]1C ZINC000238733617 GD Annotated Mild CC(C)CC(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238734125 GD Annotated Reactive C/C=C1\CN2CC[C@]34c5cc(OC)ccc5N5C(=O)[C@H](O)OC[C@@H]([C@@H]1C[C@@H]23)[C@@H]54 ZINC000238734608 GD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@@H]1[C@]4(C(=O)OC)[C@@H](O)O2 ZINC000238734821 GD Annotated Anodyne C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000238735224 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)/C=C\C)[C@H]2OC(=O)CC(C)C ZINC000238735277 GD Annotated Mild C[C@@H]1O[C@]1(C)C(=O)O[C@@H]1[C@H]2[C@@H](C)C(=O)O[C@H]2[C@@H]2[C@]3(C)CC=C[C@]2(C)[C@@]1(O)OO3 ZINC000238735290 GD Annotated Reactive COC(=O)[C@H](C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)C[C@H](O)C[C@@]2(C)[C@@H]13 ZINC000238735446 GD Annotated Anodyne COc1ccc2c(c1O)N1C(=O)C[C@@H]3OCC=C4CN5CC[C@@]26[C@@H]1[C@H]3[C@H]4C[C@]56O ZINC000238735500 GD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@H](C)[C@@](O)(C(=O)/C=C\C)[C@H]2OC(=O)CC(C)C ZINC000238735545 GD Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@@H]2O[C@@H](OC)[C@@H]4C(C)(C)CC[C@H](O)[C@@]234)[C@@H]1O ZINC000238735562 GD Annotated Mild C=C(C(=O)/C=C/C(C)(C)OO)[C@@H]1C[C@@H](O)[C@](C)(O)C(=O)[C@H]1OC(=O)CC(C)C ZINC000238735616 GD Annotated Reactive CC#CC#C/C=C1/O[C@@]2(CC[C@@H](OC(C)=O)CO2)[C@H](O)[C@H]1OC(=O)CC(C)C ZINC000238735736 GD Annotated Mild CO[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@@]1(O)COC(=O)c1ccccc1 ZINC000238735788 GD Annotated Anodyne C=C1C[C@H](O)[C@@H]2[C@@H](C(=O)OC[C@]23[C@@H](OC(C)=O)CCC(C)(C)[C@H]3C=O)C1=O ZINC000238735880 GD Annotated Mild COc1ccc2c(c1O)N(C(C)=O)[C@@H]1[C@H]3[C@@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238735887 GD Annotated Anodyne C/C=C1/CN2CC[C@@]34OC(=O)N[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14 ZINC000238736028 GD Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@H](C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@H](C)O3)[C@H]12 ZINC000238736046 GD Annotated Mild CC(=O)OCC1=C2/C(=C\[C@]3(C)CC=C(O3)[C@@](C)(O)C[C@@H]2OC(C)=O)OC1=O ZINC000238736402 GD Annotated Anodyne C[N+]12CC[C@]34c5cccc(O)c5N5C(=O)C[C@@H]6OCC=C(C1)[C@@H](C[C@]32O)[C@@H]6[C@@H]54 ZINC000238736480 GD Annotated Bother C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H](OC)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000238736659 GD Annotated Mild C/C=C1/CN2C[C@@]34c5ccccc5N(C)[C@H]5O[C@]3(O)C[C@@H]2C[C@H]1[C@]54C(=O)OC ZINC000238736744 GD Annotated Anodyne COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2C[C@@H]4O[C@@H]4[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000238736760 GD Annotated Anodyne COC1=C(C)[C@H]2CC(=O)O[C@@H]3[C@H](O)[C@H]4[C@H](C)C[C@@H](O)C(=O)[C@@]4(C)[C@@H](C1=O)[C@]23C ZINC000238736952 GD Annotated Mild C=C1[C@@H]2[C@H](O)[C@@H](OC(C)=O)C3=C(C(=O)[C@H](O)[C@@]4(C[C@H]4C)C3=O)[C@@]2(C)CC[C@H]1C ZINC000238737013 GD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 ZINC000238737066 GD Annotated Reactive C/C=C1/CN2CC[C@]34c5cc(OC)ccc5N5C(=O)[C@@H](O)OC[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000238737112 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C/C=C(/C)O)/C=C(/C=O)CCC[C@@]1(CO1)[C@@H]2O ZINC000238737129 GD Annotated Reactive CC(=O)O[C@@H]1C(=O)C2=C(C(=O)[C@]13C[C@H]3C)[C@H](O)[C@@H](O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238737267 GD Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(C)[C@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](O)C3 ZINC000238737478 GD Annotated Mild OCCCNC(=S)CCNC(=S)CCNC(=S)c1ccc(O)cc1 ZINC000238737628 GD Annotated Anodyne O=C(O)CCNC(=S)CCNC(=S)CCNC(=S)c1ccc(O)cc1 ZINC000238737637 GD Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3N=C4C=C(OC)C(=O)C=C4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 ZINC000238737714 GD Annotated Mild COC1=CC[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238737762 GD Annotated Mild CO[C@H]1C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000238737820 GD Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)(C[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@]3([C@H]2O)[C@@H]1O ZINC000238737920 GD Annotated Mild COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@](O)(C=C[C@@]52C=O)[C@]63O)CC[C@@H]41 ZINC000238737962 GD Annotated Mild O[C@@]1(c2ccc3c(c2)OCO3)OC[C@@H]2[C@@H](c3ccc4c(c3)OCO4)OC[C@@]21O ZINC000238738006 GD Annotated Anodyne COC(=O)C1=C2Nc3ccc(OC)cc3[C@@]23CCN2C[C@@](O)([C@H](C)O)[C@@H]1C[C@H]23 ZINC000238738232 GD Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@H]1[C@@H](C=O)C[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238738361 GD Annotated Mild COc1c(C)c(O)c(C(C)=O)c2c1[C@@]1(C)C(=O)[C@@H](C(C)=O)C(=O)C[C@@]1(OC)O2 ZINC000238738368 GD Annotated Anodyne CCO[C@@]1(OC)C(Br)=C[C@@](O)(CC(N)=O)C=C1Br ZINC000238738756 GD Annotated Anodyne COC1=C(C)[C@H]2CC(=O)O[C@@H]3[C@H](O)[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C ZINC000238738914 GD Annotated Mild CC1=C[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)CC[C@@H](C(C)C)[C@@H]2C1 ZINC000238739262 GD Annotated Anodyne COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@@]5(c6ccc7c(c6N[C@]15CC2)OCO7)[C@@H]43 ZINC000238739287 GD Annotated Anodyne O=C1CC[C@H]([C@]2(c3ccc(O)cc3)C(=O)C=C(c3ccc(O)c(O)c3)C2=O)N1 ZINC000238739346 GD Annotated Mild Cc1cc2c(c(=O)o1)C[C@H]1[C@@](C)(C[C@@H](O)[C@H]3C(C)(C)OC(=O)C[C@H](O)[C@@]31C)O2 ZINC000238739418 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC[C@]2(O)C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238739510 GD Annotated Anodyne CC1=C(C(C)C)C[C@@]2(O)C[C@]3(C)CC(=O)O[C@@]4([C@H](O)[C@@H](C)CC[C@]34O)[C@@]12O ZINC000238739518 GD Annotated Anodyne C=CC[C@]12C[C@@H](OC)[C@@H](O)[C@H](O)[C@]1(O)O[C@@H](c1ccc(OC)c(OC)c1)[C@H]2C ZINC000238740069 GD Annotated Mild CC[C@@H](C)C(=O)O[C@H]1[C@]2(C)[C@@H](C)[C@@H](O)C[C@H]3O[C@]32C[C@@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000238740357 GD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3[C@@H](C=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)/C(=C\C)OC)[C@@H]12 ZINC000238740423 GD Annotated Mild C=CC[C@@]12CC(=O)[C@@H](O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000238740556 GD Annotated Mild CC(C)=CC(=O)O[C@H]1CC[C@]2(O)C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238740672 GD Annotated Anodyne C/C=C/C(=O)[C@]1(O)[C@@H](C)[C@H](O)C[C@H]2[C@@H](C)C(=O)O[C@H]2[C@@H]1OC(=O)/C(C)=C/C ZINC000238740898 GD Annotated Mild COC(=O)[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5cc(OC)ccc5[C@@]14CCN3C/C2=C/CO ZINC000238741122 GD Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H](C[C@H]2O)[C@]24CCCC(C)(C)[C@H]2[C@H](OC(C)=O)[C@@]3(O)OC4)[C@@H]1O ZINC000238741448 GD Annotated Mild C/C=C(/C)OC(=O)[C@@H]1CCN2CC=C(CC(=O)O[C@]3(O)[C@H](C)C(=O)O[C@@H]3C)[C@H]12 ZINC000238741526 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(CO)=C12 ZINC000238741579 GD Annotated Anodyne CC(=O)O[C@@H](C)[C@](C)(O)C(=O)OCC1=CCN2CC[C@@H](OC(=O)C=C(C)C)[C@@H]12 ZINC000238741593 GD Annotated Anodyne COC(=O)C1=C2N(C=O)c3c(OC)cccc3[C@]23CCN2C[C@H]([C@@H](C)O)[C@H]1C[C@@H]23 ZINC000238741656 GD Annotated Anodyne COC(=O)C1=C2[N+](=O)c3c(OC)cccc3[C@@]23CCN2C[C@@H]([C@H](C)O)[C@@H]1C[C@H]23 ZINC000238741685 GD Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C(C)=O)[C@H]32)[C@@H]1O ZINC000238741794 GD Annotated Anodyne CC[C@H](CO)[C@@H]1[C@]2(C)C(=O)/C(=C\O)[C@@](O)([C@@H]3C[C@](C)(O)C[C@@H](C)[C@@H]32)[C@]1(C)O ZINC000238741868 GD Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@H]2O[C@]23C[C@]2(O)OC(=O)C(C)=C2[C@@H](O)[C@]3(C)[C@H]1C ZINC000238741912 GD Annotated Anodyne COc1ccc(C[C@]2(O)CO[C@@H](c3ccc(O)c(O)c3)[C@H]2CO)cc1OC ZINC000238741939 GD Annotated Clean C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC(=O)[C@]1(CO[C@@H](O)C1)O2 ZINC000238742001 GD Annotated Anodyne COc1ccc2c(c1)=C1CCN3C(=O)c4cc(OC)c(OC)cc4N(C)C3=C1N=2 ZINC000238742015 GD Annotated Anodyne C[S@](=O)C[C@@](C)(O)[C@H]1OCC=C2[C@]3(C)C=CC[C@@]4(C)C(=O)O[C@@H]([C@@H]34)[C@@H]3O[C@]231 ZINC000238742106 GD Annotated Anodyne CC[C@]12[C@H]3CCN4CC[C@@]5(c6ccccc6N(C)[C@H]5[C@](C(=O)OC)(O3)[C@@H]1O)[C@@H]42 ZINC000238742194 GD Annotated Anodyne C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@H](O)C[C@@H]1[C@]4(CO)C(=O)OC ZINC000238742294 GD Annotated Bother C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CC[C@H](C)[C@H]1C=O ZINC000238742455 GD Annotated Mild C[C@]12C[C@@H](O)[C@H](O)CC1=CC[C@@H]1C(=O)O[C@@H]3CO[C@]4(C)OC=C(C[C@@H](O)[C@@H]12)[C@H]34 ZINC000238742768 GD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)CC(C)C)[C@@]12O[C@@H]3O ZINC000238743000 GD Annotated Mild CCC(=O)C1=C[C@H]2OC[C@@H]1[C@@H](NC(C)=O)C[C@@]21C(=O)N(OC)c2ccccc21 ZINC000238743024 GD Annotated Mild CC(=O)OC[C@]12C[C@H](O)[C@H](OC(C)=O)C(C)(C)[C@]13C[C@@H]1[C@H]2[C@]1(C)[C@H]3OC(C)=O ZINC000238743198 GD Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@@H](OC(C)=O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000238743735 GD Annotated Mild C=C1[C@@H](O)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](O)[C@]123)C4(C)C ZINC000238743968 GD Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@@](C2)([C@@H]1O)[C@]1(O)OC[C@]32CCCC(C)(C)[C@H]2[C@@H]1OC(C)=O ZINC000238743986 GD Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@@]23[C@H](OC)CN2CC[C@@H]4O[C@@H](O)C[C@]4(C1)[C@H]23 ZINC000238744000 GD Annotated Anodyne C[C@@H]1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238744340 GD Annotated Anodyne C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N[C@]32[C@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000238744399 GD Annotated Bother COC(=O)[C@@]12CO[C@](C)(O)[C@@H]3CN4[C@@H](C[C@@H]31)c1c(c3ccccc3n1C)C[C@H]42 ZINC000238744415 GD Annotated Anodyne C[C@@]12[C@@H]3C[C@@]4(C)C(=O)O[C@H](c5ccoc5)C[C@@H]4[C@H]1CC[C@H](O)[C@]2(O)C(=O)O3 ZINC000238744425 GD Annotated Anodyne COC(=O)[C@H]1CC[C@H]2[C@]3(C)CCCC(C)(C)[C@H]3[C@H](O)[C@H](O)[C@@]23COC(=O)[C@@H]13 ZINC000238744441 GD Annotated Anodyne COc1ccc2c(c1O)N(C(C)=O)C1=C3[C@H](O)OCC=C4CN5CC[C@@]12[C@H]5C[C@H]43 ZINC000238744468 GD Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1[C@H](O)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3 ZINC000238744592 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@]13C=C[C@](C)(OO1)[C@H]23 ZINC000238744781 GD Annotated Reactive C/C=C(/C)C(=O)O[C@H]1[C@]2(C)[C@@H](C)[C@@H](O)C[C@H]3O[C@]32C[C@@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000238745129 GD Annotated Anodyne COC1=C(C)[C@]2(O)CC(=O)O[C@@H]3C[C@@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@H](C1=O)[C@@]32C ZINC000238745152 GD Annotated Mild C=C1[C@@H]2[C@H](O)[C@@H](O)C3=C(C(=O)[C@H](OC(C)=O)[C@@]4(C[C@H]4C)C3=O)[C@@]2(C)CC[C@H]1C ZINC000238745479 GD Annotated Mild CC(C)CC(=O)O[C@H]1[C@]2(C)[C@@H](C)[C@@H](O)C[C@H]3O[C@]32C[C@@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000238745494 GD Annotated Anodyne C[N+]1([O-])CC[C@]23C(=O)C[C@H]4C(=CCO[C@H]5CC(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 ZINC000238745737 GD Annotated Bother C/C=C(\C)C(=O)O[C@@H]1C/C(C)=C/[C@@H](O)[C@H](O)[C@@]2(C)O[C@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]12 ZINC000238745862 GD Annotated Anodyne COC(=O)C1=CO[C@@H]2O[C@H]3/C(=C\c4ccc(O)c(OC)c4)C(=O)O[C@]34C=C[C@H]1[C@H]24 ZINC000238745960 GD Annotated Anodyne C/C=C1\C[N+]2(C)CC[C@]34c5ccccc5N[C@@]32[C@H](O)C[C@H]1[C@]4(CO)C(=O)OC ZINC000238746277 GD Annotated Bother C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](OC(C)=O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000238746441 GD Annotated Mild C[C@@H]1C[C@H]2OC(=O)[C@@]3(O)CCC[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@@]23CO ZINC000238746536 GD Annotated Anodyne COCC1=C2/C(=C\[C@]3(C)CC[C@@](OC)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O ZINC000238747103 GD Annotated Anodyne C[C@]12CC[C@H]([C@H]3CO3)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@]1(O)CC[C@@H](O)[C@]2(C)O ZINC000238747363 GD Annotated Anodyne COC(=O)[C@]12C[C@@]3(C=CCN4CC[C@@]5(c6ccccc6N[C@@]15O)[C@@]43C)[C@H](C)O2 ZINC000238747364 GD Annotated Anodyne C/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@H](C)[C@H](O)C[C@H](O)Cc1cc(O)cc(=O)o1 ZINC000238747396 GD Annotated Anodyne CC(C)=CC[C@@]1(O)[C@@H](O)[C@@](O)(CC=C(C)C)[C@@H](O)[C@@](O)(CC=C(C)C)[C@H]1O ZINC000238747424 GD Annotated Anodyne C/C1=C/[C@@H]2OC(=O)[C@@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)[C@@]1(C)O[C@@H]1C ZINC000238748395 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000238748461 GD Annotated Mild C=C1[C@H](O)[C@@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@@]12CCCC(C)(C)[C@@H]1[C@@H](O)[C@]3(O)O[C@H]2OC ZINC000238748674 GD Annotated Mild C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]2(O)[C@@H](OC(C)=O)[C@H]3O[C@H]3C[C@@]12C ZINC000238748704 GD Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@H]1[C@@H](C(=O)O)CC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238749205 GD Annotated Mild CC(=O)OC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3([C@@H]3O[C@]43CO)[C@H](O)C[C@H]21 ZINC000238749323 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)CC(C)C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 ZINC000238749402 GD Annotated Reactive C/C1=C/[C@H]2OC(=O)[C@@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)[C@]1(C)O[C@@H]1C ZINC000238749503 GD Annotated Mild C/C=C(\C)C(=O)OC1=CCN2CC=C(COC(=O)[C@@](O)(C(C)C)[C@H](C)O)[C@H]12 ZINC000238749603 GD Annotated Anodyne C/C(C[C@H](O)c1ccoc1)=C(/C(=O)O)[C@H]1C[C@]23COC(=O)[C@H]2CCC[C@]3(O)O1 ZINC000238749936 GD Annotated Anodyne COC1=CC(=O)[C@@]2(C1)[C@@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C(=O)[C@]21CCN3C ZINC000238750317 GD Annotated Reactive C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)C2=C([C@H]3OC(=O)[C@@H](C)[C@H]13)[C@](C)(O)CC2=O ZINC000238750483 GD Annotated Mild C[C@@H]1CC(=O)[C@@]2(CO)[C@]3(CO)CCC[C@]2(O3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238750621 GD Annotated Anodyne C=C(CO)[C@@H]1CC2=C[C@@H](O)[C@H]3C(C)(C)[C@H](OC(C)=O)C[C@@H](O)[C@]3(C)[C@H]2[C@H](O)C1 ZINC000238750759 GD Annotated Mild C/C=C1\CO[C@@H](O)[C@@]23C(=O)O[C@@H](C[C@@H]12)[C@]12N(C)CC[C@@]13c1ccccc1N2C ZINC000238750834 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C=C(CO)C(=O)[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@@H]1C(C)C ZINC000238751027 GD Annotated Mild C[C@@H]1C[C@@H](O)[C@@]23COC(=O)[C@@H]2C[C@@H](O)C[C@@H]3[C@@]12C[C@@H](c1ccco1)OC2=O ZINC000238751054 GD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C(=O)[C@@H](C)CCC[C@@](C)(O)[C@H]2OC(=O)/C=C(\C)CC ZINC000238751162 GD Annotated Mild C/C=C1/C[N+]2=CC[C@@]34c5ccccc5N(C)[C@@]3(O)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000238751294 GD Annotated Anodyne CCCC(=O)O[C@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@@H](OC)[C@]2(C)[C@H]1C ZINC000238751346 GD Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC)OC[C@]234)[C@@H]1O ZINC000238751348 GD Annotated Mild COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2C[C@@H]4O[C@@H]4[C@@]([C@H](C)O)(C1)[C@@H]23 ZINC000238751375 GD Annotated Anodyne COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CC[C@H]4OC[C@@H](O)[C@]4(C1)[C@H]23 ZINC000238751441 GD Annotated Anodyne CC(C)=CC[C@]1(C)C(=O)C(C(=O)C(C)C)=C(O)[C@@]2(O)C[C@@H](C(C)(C)O)O[C@@]12O ZINC000238751556 GD Annotated Mild C/C=C1\CN2CC[C@@]34OC(=O)N[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14 ZINC000238751629 GD Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccc(OC)cc4N(C)[C@H]32)[C@@H]1O ZINC000238751845 GD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC)[C@H]2[C@]1(CCC[C@@]2(C)CO[C@H](O)[C@@H]12)COC3=O ZINC000238751861 GD Annotated Mild COC(=O)[C@]12CC[C@@]34CC(=O)[C@H]5CN(CC[C@H]3O)[C@@H]4[C@]51c1cccc(OC)c1N2 ZINC000238751932 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](OC(C)=O)[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000238752065 GD Annotated Mild CC(=O)O[C@@H]1[C@H](O)C(=O)c2coc3c2[C@@]1(C)c1ccc2c(c1C3=O)CCC2=O ZINC000238752197 GD Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@]23COC(=O)[C@@H]2C[C@@H](O)C[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238752460 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C/C(C)=C/[C@@H](O)[C@H](O)[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21 ZINC000238752464 GD Annotated Anodyne C[C@@H]1CC(=O)[C@]2(CO)[C@H](CC[C@H](O)[C@]23CO3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238752684 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C[C@H]4[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@]4(CO)O3 ZINC000238752897 GD Annotated Anodyne C=C(C(=O)OC)[C@H]1C[C@@H]2[C@](C)(O)[C@@H](OC(=O)[C@H]3OC3(C)C)CC[C@]2(C)CC1=O ZINC000238753073 GD Annotated Mild C=C1[C@H]2CC[C@@H]3[C@@](C2)(C(=O)O[C@H]2O[C@@H](OC)[C@@H]4C(C)(C)CC[C@H](O)[C@]324)[C@@H]1O ZINC000238753156 GD Annotated Mild CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@]3([C@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(CO)[C@@H]13)[C@@H]2O ZINC000238753609 GD Annotated Anodyne C[C@]1(O)C[C@@H](C[C@@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000238753997 GD Annotated Anodyne C/C=C1\C[N+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 ZINC000238754050 GD Annotated Bother C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)(C(C)C)C(C)(C)O)[C@H]12 ZINC000238754383 GD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C(=O)[C@@H](C)CCC[C@@](C)(O)[C@H]2OC(=O)[C@H](C)CC ZINC000238754409 GD Annotated Mild COC(=O)[C@]12CO[C@@H](C)[C@]34O[C@H]3N(C)[C@H]1Cc1c([nH]c3ccccc13)C(=O)C[C@H]24 ZINC000238754432 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238754452 GD Annotated Reactive CCOCC1=C2[C@@H](OC(C)=O)C[C@@]3(C)O[C@@]2(C[C@](C)(O)CCC3=O)OC1=O ZINC000238754683 GD Annotated Anodyne C[C@H]1CC[C@@H](O)[C@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 ZINC000238754835 GD Annotated Anodyne C/C=C1\COC(=O)[C@]23[C@H]1C[C@H](O[C@H]2O)[C@]12N(C)CC[C@]31c1ccccc1N2C ZINC000238754842 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@@](C)([C@@H]1CO1)[C@H]2OC(=O)[C@H](C)CC ZINC000238754995 GD Annotated Mild C=C1CC[C@]2(C)C3=C(C(=O)[C@]4(C[C@@H]4C)[C@@H](O)C3=O)[C@H](OC(C)=O)[C@@H](O)[C@H]2C1=C ZINC000238755170 GD Annotated Mild COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N=C[C@@]3(O[C@H]3C)[C@@H]3C[C@H]1OC[C@H]23 ZINC000238755349 GD Annotated Anodyne COc1c(OC)c2oc(=O)c3c(OC)c(O)c(OC)c4oc(=O)c(c1O)c2c43 ZINC000238755462 GD Annotated Bother CC[C@H](CO)[C@@H]1[C@]2(C)C(=O)/C(=C\O)[C@@](O)([C@H]3C[C@](C)(O)C[C@@H](C)[C@@H]32)[C@]1(C)O ZINC000238755471 GD Annotated Mild C[C@@H]1C[C@]12C(=O)C1=C(C(=O)[C@@H]2O)[C@@]2(C)CC[C@@H](OC=O)C(C)(C)[C@@H]2[C@H](O)C1 ZINC000238755523 GD Annotated Mild CCO[C@@]1(OC)C(Br)=C[C@@]2(O)CC(=O)O[C@H]2[C@@H]1Br ZINC000238755824 GD Annotated Reactive CCOC1(OCC)C(Br)=CC(O)(CC(N)=O)C=C1Br ZINC000238755855 GD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@](C)(O)[C@@H]3[C@]23OC(=O)C(COC(C)=O)=C13 ZINC000238755984 GD Annotated Mild C/C=C(\C)C(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@H]12)C(C)C ZINC000238756005 GD Annotated Bother CC(C)CC(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C ZINC000238756032 GD Annotated Anodyne CO[C@]12C[C@H]3C4=CCO[C@@]5(O)CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@@H]6[C@@H]35 ZINC000238756079 GD Annotated Anodyne COC1=CC(=O)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]([C@]43C)[C@@]2(C)C1=O ZINC000238756099 GD Annotated Mild CO[C@@H]1C=C(CC[C@@]2(O)[C@H](C)C[C@H]3OC(=O)[C@@]4(C)C(=O)CC[C@@]2(C)[C@@H]34)C(=O)O1 ZINC000238756115 GD Annotated Anodyne Cc1cc(OO)c(CO)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)[C@H](O)OC3=O ZINC000238756282 GD Annotated Reactive C=C1C(=O)O[C@@H]2[C@@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)CC(C)C)[C@@]12O[C@H]3O ZINC000238756344 GD Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@H]4[C@H]3[C@H]([C@H](O)[C@@H](OC)[C@@H]4C)[C@@]2(C)C1=O ZINC000238756639 GD Annotated Mild CO[C@@]12C[C@@H]3O[C@]3(C(C)C)[C@@H](O)[C@@]13O[C@H]3C[C@H]1C3=C(CC[C@@]12C)C(=O)OC3 ZINC000238756741 GD Annotated Anodyne C=CC[C@@]12CC(=O)[C@H](O)[C@@](OC)([C@H]1O)[C@@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C ZINC000238757095 GD Annotated Mild COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]41)CC[C@H]1CN4C[C@H](C)[C@@](O)(C=C[C@]12C=O)[C@@]43O ZINC000238757218 GD Annotated Mild C[C@@H]1C[C@@]2(O)OC[C@@]3(O)CCC[C@H]4[C@]32COC(=O)[C@@]41C[C@H](O)c1ccoc1 ZINC000238757523 GD Annotated Anodyne NC1=NC[C@@H](/C=C/CNC(=O)c2cc(Br)c(Br)[nH]2)N1 ZINC000238757553 GD Annotated Anodyne O=C(O)c1cc2c(cc1CCN1C(=O)c3ccc4c(c3C1=O)OCO4)OCO2 ZINC000238757636 GD Annotated Anodyne COC1=C[C@H]2C3=C([C@@H](NC=O)CCc4cc(OC)c(OC)c(OC)c43)[C@H]2C1=O ZINC000238757887 GD Annotated Mild COC(=O)[C@]12CC[C@@]34CC(=O)[C@H]5CN(CC[C@@H]3O)[C@@H]4[C@]51c1cccc(OC)c1N2 ZINC000238757949 GD Annotated Anodyne COc1ccc2c(c1O)N(C(C)=O)[C@@H]1[C@H](C=O)[C@@H]3C[C@H]4N(CC[C@]241)C/C3=C/CO ZINC000238758246 GD Annotated Mild CO[C@@]12C(=O)N3C=CC(C)(C)c4[nH]c5ccccc5c4C[C@H]3C(=O)N1CC[C@H]2O ZINC000238758287 GD Annotated Anodyne CO[C@@]12C(=O)N3/C=C/C(C)(C)c4[nH]c5ccccc5c4C[C@H]3C(=O)N1CC[C@H]2O ZINC000238758303 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC[C@]3(C)O[C@]23[C@H]2OC(=O)C(CO)=C12 ZINC000238758366 GD Annotated Anodyne CC(=O)COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 ZINC000238758725 GD Annotated Clean CC(=O)C[C@@H]1CC[C@H](O)/C=C/C(=O)O[C@H](CC(C)=O)CC[C@@H](O)/C=C/C(=O)O1 ZINC000238758897 GD Annotated Anodyne C=C1C(=O)O[C@@H]2C=C(C)[C@H]3CC[C@@](C)(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]3C[C@H]12 ZINC000238758978 GD Annotated Mild COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2C[C@H]4O[C@H]4[C@@]([C@@H](C)O)(C1)[C@H]23 ZINC000238759050 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C(=O)[C@@]2(C)O[C@H]2C[C@H]1[C@]1(C(=O)/C=C/C(C)(C)OO)CO1 ZINC000238759109 GD Annotated Reactive CCC[C@@H](O)C[C@H](CC)SC[C@H](C(=O)O)N1CO[C@@](O)(C(C)C)C1=O ZINC000238759150 GD Annotated Anodyne COC(=O)/C=C1\[C@]2(C(=O)OC)C[C@@H]2CN2CCC3=C[C@H](OC)[C@H](OC)C[C@]312 ZINC000238759241 GD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@](C)(OC(C)=O)[C@H]1C=O)COC3=O ZINC000238759539 GD Annotated Mild COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2C[C@H]4O[C@H]4[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000238759576 GD Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@H](C=O)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1 ZINC000238759664 GD Annotated Mild C/C=C1/COC(=O)[C@]23[C@H]1C[C@H](O[C@H]2O)[C@]12N(C)CC[C@]31c1ccccc1N2C ZINC000238759733 GD Annotated Anodyne C[C@]12CC[C@](C)(O)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@]1(O)CCC(=O)[C@]2(C)O ZINC000238759931 GD Annotated Anodyne C=CC[C@@]12CC(=O)[C@H](O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000238760016 GD Annotated Mild C[C@@](O)(CO)[C@@H]1Cc2c(cc(O)c3c2OC[C@@H](c2ccc(O)cc2O)C3=O)O1 ZINC000238760589 GD Annotated Anodyne C[C@@](O)(CO)[C@@H]1Cc2c(cc(O)c3c2OC[C@H](c2ccc(O)cc2O)C3=O)O1 ZINC000238760601 GD Annotated Anodyne C=C(CO)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238760853 GD Annotated Mild C=C(CO)C(=O)O[C@H]1C[C@H](C)C2=CC(=O)[C@](C)(/C=C3/OC(=O)C(COC)=C31)O2 ZINC000238761017 GD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C1=C[C@H](OC)OC1)C[C@@]1(CO1)[C@@H]1CC=C(C)[C@H]21 ZINC000238761087 GD Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2CC[C@H](C)[C@@]1(O)C(=O)C[C@@H](C)O ZINC000238761191 GD Annotated Anodyne C=C(C(=O)OC)[C@@H]1[C@@H](O)C[C@]2(C)[C@@H]([C@H]1OC(=O)/C(C)=C\C)[C@](C)(O)CC[C@H]2O ZINC000238761287 GD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)[C@H](C)CC)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 ZINC000238761292 GD Annotated Reactive COC(=O)/C(=C/C[C@@H]1[C@]2(CO2)C[C@@H](O)[C@H]2C(C)(C)[C@@H](O)CC[C@@]12C)[C@@H]1CO1 ZINC000238761504 GD Annotated Anodyne COC(=O)/C(=C\C[C@@H]1[C@]2(CO2)C[C@@H](O)[C@H]2C(C)(C)[C@@H](O)CC[C@@]12C)[C@@H]1CO1 ZINC000238761521 GD Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]4[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000238761532 GD Annotated Mild CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)[C@H](O)c3cc4c(cc3[C@@H]12)OCO4 ZINC000238761569 GD Annotated Anodyne CCO[C@H]1[C@@H](OC(=O)c2ccc(O)cc2)[C@@H]2C[C@H](OCC)O[C@@H]3OC[C@@]1(O)[C@@H]32 ZINC000238761818 GD Annotated Anodyne CC(=O)OC[C@]12C[C@H](OC(C)=O)[C@H](O)C(C)(C)[C@]13C[C@@H]1[C@H]2[C@]1(C)[C@H]3OC(C)=O ZINC000238761941 GD Annotated Anodyne COc1cc2c(c(OC)c1OC)C(=O)O[C@@H]1[C@@H](OC)C=C3CCN(C)[C@H]3[C@H]21 ZINC000238762077 GD Annotated Anodyne CC(=O)OC[C@]1(C)[C@H]2C[C@H](O)[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@H]1O)[C@]1(CO)O[C@H]41 ZINC000238762088 GD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H](C)CCC/C(CO)=C\[C@@H](OC(=O)/C(=C\CO)CO)[C@@H]12 ZINC000238762453 GD Annotated Mild C=C1[C@H](O)[C@]23C[C@@H]1C[C@@H]1O[C@@H](OC)[C@]4([C@@H]([C@@H](O)C2=O)C(C)(C)CC[C@H]4O)[C@@H]13 ZINC000238762509 GD Annotated Mild CO[C@@H]1CCN2C(=O)C3=C[C@]4(C(=O)Nc5ccccc54)[C@@H](C=C(C)C)N3C(=O)[C@@H]12 ZINC000238762535 GD Annotated Anodyne COCC1=C2/C(=C\[C@@]3(C)CC[C@](OC)(O3)[C@@](C)(OC(C)=O)C[C@H]2O)OC1=O ZINC000238762602 GD Annotated Anodyne CC(C)CC(=O)O[C@@H]1C(=O)[C@@]2(C)O[C@H]2C[C@H]1[C@@]1(C(=O)/C=C/C(C)(C)OO)CO1 ZINC000238762853 GD Annotated Reactive O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](OC(=O)c4ccc[nH]4)CCN3C2)N1 ZINC000238763069 GD Annotated Anodyne COC(=O)[C@]1(O)C[C@]23CCCN4CC[C@@]5(c6ccc7c(c6N[C@@]15CC2)OCO7)[C@@H]43 ZINC000238763098 GD Annotated Anodyne O=C1O[C@@H]2C[C@H]1[C@]13CC[C@@]4(O)C(=O)O[C@H](c5ccoc5)C[C@]4(COC1=O)[C@@H]3C2 ZINC000238763101 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)[C@H](C)CC)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 ZINC000238763115 GD Annotated Reactive COC(=O)[C@]12CC[C@]34C=CCN5C[C@H](C(=O)C3)[C@@]1(c1cccc(OC)c1N2)[C@@H]54 ZINC000238763188 GD Annotated Anodyne C=C1C[C@H](O)[C@H]2[C@H](CN[C@H](C(=O)O)[C@@H](C)CC)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000238763253 GD Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@@H]2O[C@@H](OC)[C@@H]4C(C)(C)CC[C@H](O)[C@]234)[C@@H]1O ZINC000238763326 GD Annotated Mild C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C=O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238763408 GD Annotated Mild C[C@@]1(C(=O)O)[C@@H](O)CC[C@]2(C(=O)O)[C@@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3 ZINC000238763563 GD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CC[C@H](O)[C@@](C)(OC(C)=O)[C@H]1C=O)COC3=O ZINC000238763678 GD Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@]23O[C@@H]2C[C@H](O)[C@H](C)[C@@]13C ZINC000238763787 GD Annotated Anodyne COc1ccc2c(c1)N(C(C)=O)C1=C3[C@H](O)OCC=C4CN5CC[C@@]12[C@H]5C[C@H]43 ZINC000238763906 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238764026 GD Annotated Reactive C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)CC(C)C ZINC000238764153 GD Annotated Mild C/C=C1/CN2[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@]2(O)C[C@@H]1[C@]3(C(=O)OC)[C@@H]5O ZINC000238764294 GD Annotated Anodyne C=C(COC)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238764352 GD Annotated Mild C=C1[C@H](O)[C@]23CC[C@@H]4[C@](CO)(CN(C)CCO)CCC[C@]45C(=O)[C@H]2C[C@H]1C[C@H]35 ZINC000238764423 GD Annotated Mild CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C[C@H]4[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@]4(CO)O3 ZINC000238764484 GD Annotated Anodyne C/C=C(/C=O)[C@H](CC(=O)OCCc1ccc(O)c(O)c1)/C(=C/O)C(=O)OC ZINC000238764506 GD Annotated Reactive CC(=O)O[C@H]1[C@H]2O[C@H]2C[C@@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@@]12O ZINC000238764570 GD Annotated Anodyne COC(=O)/C(=C/C[C@H]1[C@]2(CO2)[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C)CCO ZINC000238764595 GD Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(C)=O)[C@]21CO1 ZINC000238764608 GD Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)c1cc(O)c([C@@H](CO)CCO)c(O)c1C2=O ZINC000238764698 GD Annotated Clean C=C1C(=O)CC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 ZINC000238765032 GD Annotated Mild C=C1[C@H](O)CC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 ZINC000238765047 GD Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238765077 GD Annotated Mild COc1c(/C=C/CO)c(/C=C/C/C=C/S(=O)(=O)O)cc2c1[C@@H](CO)CO2 ZINC000238765260 GD Annotated Anodyne C=C[C@]1(C)[C@H](O)[C@@H](OC(=O)CO)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@H]1O ZINC000238765346 GD Annotated Mild C/C=C(\C)C(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)C ZINC000238765359 GD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)CCC(=O)[C@@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@@]12O3 ZINC000238765415 GD Annotated Mild C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@@H](O)[C@H]1[C@@](C)(C(=O)OC)CCC[C@]21C ZINC000238765778 GD Annotated Mild COC1=C[C@@H]2C3=C([C@@H](NC(C)=O)CCc4cc5c(c(OC)c43)OCO5)[C@@H]2C1=O ZINC000238765797 GD Annotated Mild C=C1[C@H](O)[C@@H]2O[C@@]3(C)[C@@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C[C@]2(O)[C@@H](O)[C@@H]1O ZINC000238765887 GD Annotated Mild C=C1CC[C@]2(C)C3=C(C(=O)[C@@]4(C[C@@H]4C)[C@@H](O)C3=O)[C@H](OC(C)=O)[C@@H](O)[C@H]2C1=C ZINC000238766037 GD Annotated Mild COc1c(/C=C\CO)c(/C=C\C/C=C\S(=O)(=O)O)cc2c1[C@@H](CO)CO2 ZINC000238766255 GD Annotated Anodyne CC[C@H](N)[C@H](O)[C@@H](C)C(=O)N[C@H](CC(C)C)[C@H]1Cc2cccc(O)c2C(=O)O1 ZINC000238766261 GD Annotated Anodyne COc1c(/C=C\CO)c(/C=C/C/C=C\S(=O)(=O)O)cc2c1[C@@H](CO)CO2 ZINC000238766271 GD Annotated Anodyne CC(C)CC(=O)O[C@@H]1C(=O)[C@@]2(C)O[C@H]2C[C@H]1[C@]1(C(=O)/C=C/C(C)(C)O)CO1 ZINC000238766281 GD Annotated Mild COc1c(/C=C\CO)c(/C=C\C/C=C/S(=O)(=O)O)cc2c1[C@@H](CO)CO2 ZINC000238766282 GD Annotated Anodyne COc1c(/C=C\CO)c(/C=C/C/C=C/S(=O)(=O)O)cc2c1[C@@H](CO)CO2 ZINC000238766299 GD Annotated Anodyne COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3[C@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238766370 GD Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](O)C(=O)[C@@H]([C@@]2(C)C1=O)[C@]43C ZINC000238766378 GD Annotated Mild COC(=O)[C@]12CC[C@]34C=CCN5C[C@H](C(=O)C3)[C@@]1(c1ccc3c(c1N2)OCO3)[C@@H]54 ZINC000238766448 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H]2O[C@H]2[C@H](C)[C@@]1(O)C(=O)/C=C/C ZINC000238766540 GD Annotated Mild C[C@@H]1[C@@H](O)C[C@]2(C)[C@](C)(O)[C@@H](O)CC[C@]2(O)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238766697 GD Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@H](OC(C)=O)[C@@]2(C[C@@H](O)[C@]2(O)[C@H]1C[C@@H](O)C2(C)C)C[C@@]3(C)O ZINC000238766877 GD Annotated Mild C=C1[C@@H]2[C@H](OC(C)=O)CC3=C(C(=O)[C@H](O)[C@@]4(C[C@@H]4C)C3=O)[C@@]2(C)CC[C@@]1(C)O ZINC000238767122 GD Annotated Mild C/C(C[C@H](O)c1ccoc1)=C(\C(=O)O)[C@H]1C[C@]23COC(=O)[C@H]2CCC[C@]3(O)O1 ZINC000238767152 GD Annotated Anodyne CO[C@@H]1C=C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(O)COC(=O)c1ccccc1 ZINC000238767184 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C=C(CO)C(=O)[C@@H](OC(=O)/C(C)=C/CO)[C@H]1C(C)C ZINC000238767585 GD Annotated Mild CC(=O)C[C@@H]1CCC(=O)/C=C/C(=O)O[C@H](CC(C)=O)CC[C@@H](O)/C=C/C(=O)O1 ZINC000238767820 GD Annotated Mild COC1=CC[C@@H]2C[C@H]3O[C@@H](OC)C[C@H]4[C@](C)(O)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238767849 GD Annotated Mild C=C1C[C@H](O)[C@H]2[C@@](C)(CO)C[C@H](O)C[C@]2(C)[C@]12CC[C@]1(COC(=O)C1)OO2 ZINC000238767981 GD Annotated Reactive COc1ccc2c(c1O)N(C(C)=O)[C@@H]1[C@@H]3[C@@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238768004 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/[C@H](OC(C)=O)[C@H](C)OC(C)=O ZINC000238768087 GD Annotated Anodyne C=C1C(=O)O[C@@H]2C=C(C)[C@@H]3CC[C@@](C)(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]3C[C@H]12 ZINC000238768156 GD Annotated Mild C=C[C@]1(C)C[C@H](OC(=O)C(=C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)COC(C)=O ZINC000238768164 GD Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12 ZINC000238768194 GD Annotated Bother COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@H]3[C@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238768335 GD Annotated Anodyne COC(=O)[C@@H]1[C@H]2C[C@@H]3N(CC[C@]34C(=O)Nc3ccccc34)C[C@@H]2[C@H](C)O[C@H]1O ZINC000238768452 GD Annotated Anodyne COC(=O)[C@H](C)[C@H]1OC(=O)C=C2[C@@H]1C[C@H]1OC(=O)[C@]3(C)C[C@H]4O[C@H]4[C@]2(C)[C@@H]13 ZINC000238768516 GD Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](O)C(=O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000238768727 GD Annotated Mild COc1ccc2c(c1O)N1C(=O)C[C@@H]3OCC=C4C[N+]5([O-])CC[C@@]26[C@@H]1[C@H]3[C@H]4C[C@@H]65 ZINC000238768817 GD Annotated Bother C/C=C1\CN2CC[C@]34c5cc(OC)ccc5N5C(=O)[C@@H](O)OC[C@H]([C@@H]1C[C@@H]23)[C@@H]54 ZINC000238768944 GD Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5ccc(O)cc54)[C@@H]3C[C@H]12 ZINC000238768965 GD Annotated Anodyne CC(C)=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)(C(C)C)[C@H](C)O)[C@H]12 ZINC000238769123 GD Annotated Anodyne C=C1[C@@H]2[C@H](OC(C)=O)CC3=C(C(=O)[C@@H](O)[C@@]4(C[C@@H]4C)C3=O)[C@@]2(C)CC[C@]1(C)O ZINC000238769268 GD Annotated Mild C=C[C@@](C)(O)C[C@H](O)[C@@H]1[C@]2(C)C[C@@H](O)[C@H](C(C)(C)C(=O)O)[C@@]1(C)CC(=O)O2 ZINC000238769373 GD Annotated Mild C=C[C@]1(C)C[C@H](OC(=O)/C(=C/C)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO ZINC000238769481 GD Annotated Mild COC(=O)[C@@H]1[C@H]2C[C@@H]3N(CC[C@@]34C(=O)Nc3ccccc34)C[C@@H]2[C@H](C)O[C@H]1O ZINC000238769505 GD Annotated Anodyne COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)[C@@H]4CN5CC[C@]21[C@]5(O)C[C@@H]43 ZINC000238769622 GD Annotated Anodyne CC1=C[C@H]2C[C@](C)(O)C[C@@H](C(=O)O)[C@@H]2[C@@](C)(C(=O)CCO)[C@H]1/C(C)=C/CO ZINC000238769640 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(O)=C/CO)CC(=C)[C@]1(OO)CC=C(C)[C@H]21 ZINC000238769785 GD Annotated Reactive C=C1CC[C@]2(C)C3=C(C(=O)[C@]4(C[C@@H]4C)[C@H](O)C3=O)[C@H](OC(C)=O)[C@@H](O)[C@H]2C1=C ZINC000238769871 GD Annotated Mild CO[C@H]1C=C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]1(O)COC(=O)c1ccccc1 ZINC000238769873 GD Annotated Anodyne COC(=O)N1c2ccccc2[C@]23[C@H]4CN5CCC[C@@]6(CC[C@@]12[C@](O)(C6)C4=O)[C@H]53 ZINC000238769991 GD Annotated Anodyne C[C@]12CC[C@](C)(O)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@]1(O)CC[C@@H](O)[C@]2(C)O ZINC000238770034 GD Annotated Anodyne CO[C@]12CC(=O)C(C(C)=O)=C(O)[C@]1(C)c1c(O)c(C(C)=O)c(O)c(C)c1O2 ZINC000238770129 GD Annotated Mild CC[C@@]12C=CCN3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@H]1O)[C@H]32 ZINC000238770290 GD Annotated Anodyne CC(C)CC(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C ZINC000238770599 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(O)=C/CO)C=C(C)[C@]1(OO)CC=C(C)[C@H]21 ZINC000238770658 GD Annotated Reactive C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2O[C@@H]1CC=C(C)O1 ZINC000238770676 GD Annotated Mild Cc1cc(O)c(C=O)c(O)c1OC(=O)Cc1cc(O)c(C)c(O)c1C(=O)O ZINC000238770714 GD Annotated Anodyne COc1ccc2c(c1)[C@@]13CCNCC4=CCO[C@H]5CC(=O)N2[C@H]1[C@H]5[C@H]4CC3=O ZINC000238770730 GD Annotated Anodyne COC[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000238770771 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2CC[C@H](C)[C@@]1(O)C(=O)C[C@H](C)O ZINC000238770810 GD Annotated Anodyne COC(=O)C[C@H]1O[C@H](C)C2=C(C(=O)c3ccc(OC)c(OC)c3C2=O)[C@@H]1OC ZINC000238770820 GD Annotated Mild C=C(CO)C(=O)O[C@H]1CCC(COC(C)=O)=C2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]21C ZINC000238771252 GD Annotated Mild C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238771259 GD Annotated Mild COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@H]3[C@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238771330 GD Annotated Anodyne COC[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000238771431 GD Annotated Anodyne CC(=O)O[C@@H]1C2=C(C(=O)[C@@H](O)[C@@]3(C[C@H]3C)C2=O)[C@@]2(C)CCCC(C)(C)[C@H]2[C@@H]1O ZINC000238771560 GD Annotated Mild C=C[C@]1(CO)C[C@H](OC(=O)C(=C)O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)COC(C)=O ZINC000238771919 GD Annotated Mild CC[C@H](C)[C@H](C(=O)N(C)[C@@H](CCCCN(C)C=O)C(=O)OC)N(C)C(C)=O ZINC000238771970 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@]2(O)[C@H](O)CC[C@@H](C)[C@]12C ZINC000238772018 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C[C@H]4[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@]4(CO)O3 ZINC000238772066 GD Annotated Anodyne CC(=O)N1c2ccccc2[C@]23CCN(C)[C@@H]2C[C@H]2C4=C(COC4=O)OC[C@H]2[C@H]13 ZINC000238772173 GD Annotated Anodyne COC(=O)[C@]12COCC3=C1C[C@H]1N(CC[C@]14Cc1cc(O)ccc1N(C)[C@H]24)C3 ZINC000238772265 GD Annotated Anodyne CCO[C@@]1(OC)C(Br)=C[C@](O)(CC(N)=O)C=C1Br ZINC000238772395 GD Annotated Anodyne CC(=O)O[C@H]1c2cc3c(cc2[C@@]24C=C[C@H](OC(C)=O)C[C@@H]2N1C[C@H]4O)OCO3 ZINC000238772508 GD Annotated Anodyne C=CC[C@@]12C[C@@H](O)C(=O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000238772523 GD Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2C[C@@H](O)[C@H](C)[C@@]1(O)C(=O)/C=C/C ZINC000238772587 GD Annotated Mild C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)[C@@]1(C)O[C@H]1C)C[C@@]1(C)[C@H](O)CCC(=C)[C@]21O ZINC000238772629 GD Annotated Mild C[C@@H]1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238772802 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2[C@@H](O)[C@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238772835 GD Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@@H](O)[C@H]1C(C)(C)[C@H](OC=O)CC[C@]21C ZINC000238773027 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3[C@H](C=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)/C(=C\C)OC)[C@@H]12 ZINC000238773037 GD Annotated Mild CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12 ZINC000238773050 GD Annotated Anodyne C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@]2(OC)C[C@@H]1[C@@]5(C=O)C(=O)OC ZINC000238773053 GD Annotated Mild C[C@@H]1C[C@@H](C[C@@](C)(O)[C@H](O)COc2ccc3ccc(=O)oc3c2O)OC1=O ZINC000238773218 GD Annotated Anodyne COc1ccc2c(c1)N(C(C)=O)[C@@H]1[C@H]3[C@@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238773221 GD Annotated Anodyne CN1CC[C@]23C(=O)C[C@@]4(O)C(=CCOC5=CC(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 ZINC000238773498 GD Annotated Anodyne CN1CC[C@]23C(=O)C[C@H]4C(=CCOC5=CC(=O)N(c6c(O)cccc62)[C@H]3[C@H]54)C1 ZINC000238773529 GD Annotated Anodyne C[C@@H]1C[C@H](O)[C@@]23CO[C@]2(CO)CCC[C@]3(O)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238773604 GD Annotated Anodyne CC1=C2C[C@@H](C(C)(C)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]2(C)CCC1=O ZINC000238773712 GD Annotated Mild O[C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H]1CO[C@@H]2Oc1ccc2c(c1)OCO2 ZINC000238773715 GD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C(=O)[C@@H](C)CCC[C@@](C)(O)[C@H]2OC(=O)CC(C)C ZINC000238773738 GD Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@H]2[C@H]3CO[C@@H]1[C@](C)(C(C)=O)OC(=O)/C(C)=C\[C@H]2OC3=O ZINC000238773916 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)C2=C([C@H]3OC(=O)[C@@H](C)[C@H]13)[C@@](C)(O)C[C@H]2O ZINC000238773923 GD Annotated Anodyne C/C(=C/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C ZINC000238774025 GD Annotated Mild C=C1[C@H]2CC[C@H]3[C@]45CO[C@H](CC4=O)C(C)(C)[C@H]5[C@H](OC(C)=O)C(=O)[C@@]3(C2)[C@@H]1O ZINC000238774182 GD Annotated Mild COc1cc2c(cc1O)[C@]1(OC)Cc3ccc4c(c3[C@]1(O)N(C)CC2)OCO4 ZINC000238774567 GD Annotated Anodyne C[C@H]1C[C@]12C(=O)C1=C(C(=O)[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)[C@H]1OC=O ZINC000238774841 GD Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000238774907 GD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@](C)(O)[C@]13C=C[C@](C)(OO1)[C@H]23 ZINC000238774990 GD Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]2(O)CCC(=O)[C@H](C)[C@@]12C ZINC000238775320 GD Annotated Anodyne COC(=O)C1=CO[C@H](O)[C@H]2[C@@H]3CN4CCc5c([nH]c6ccccc56)[C@@]4(C[C@@H]12)O3 ZINC000238775372 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@@](C)([C@@H]1CO1)[C@H]2OC(=O)CC(C)C ZINC000238775443 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2O[C@H]1CC=C(C)O1 ZINC000238775544 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@]12O[C@H]3O ZINC000238775665 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)CC(C)C ZINC000238775840 GD Annotated Mild COC(=O)[C@@]12CC[C@]34CCCN5C[C@H](C(=O)C3)[C@]1(c1ccc3c(c1N2)OCO3)[C@H]54 ZINC000238775929 GD Annotated Anodyne COC(=O)[C@]1(O)C[C@]23C=CCN4CC[C@@]5(c6ccc7c(c6N[C@@]15CC2)OCO7)[C@@H]43 ZINC000238775994 GD Annotated Anodyne CCOCC1=C2/C(=C\[C@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O ZINC000238776131 GD Annotated Anodyne C=C1C[C@]23C[C@@]1(OC(C)=O)CC[C@H]2[C@@]12C=C[C@@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238776162 GD Annotated Mild C/C=C1/CN[C@@H]2C[C@H]1[C@](CO)(CC(=O)OC)[C@@]13CCC(=O)[C@@]21Nc1ccccc13 ZINC000238776181 GD Annotated Anodyne CC(=O)OC/C=C(\C)C(=O)O[C@@H]1C(=O)C(CO)=C[C@@H](OC(C)=O)[C@H]1C(C)C ZINC000238776190 GD Annotated Mild C/C=C1/CN[C@@H]2C[C@@H]1[C@@](CO)(CC(=O)OC)[C@@]13CCC(=O)[C@@]21Nc1ccccc13 ZINC000238776194 GD Annotated Anodyne CC(=O)OCC1=C[C@@H](OC(C)=O)[C@@H](C(C)C)[C@H](OC(=O)/C(C)=C/CO)C1=O ZINC000238776200 GD Annotated Mild COC(=O)N1c2ccccc2[C@@]23[C@H]4C(=O)[C@]5(O)[C@@H]6O[C@H]4N4CCC[C@]6(CC[C@@]152)[C@H]43 ZINC000238776208 GD Annotated Anodyne C=C1C[C@H](OC(=O)/C=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl ZINC000238776381 GD Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@](C)(O)[C@]13C=C[C@](C)(OO1)[C@H]23 ZINC000238776416 GD Annotated Reactive COC(=O)[C@H](C)[C@H]1OC(=O)C=C2[C@@H]1C[C@H]1OC(=O)[C@@]3(C)[C@H]4O[C@H]4C[C@@]2(C)[C@@H]13 ZINC000238776467 GD Annotated Anodyne C=C1C[C@H](OC(=O)/C(C)=C\C)[C@@H]2[C@H](OC(=O)[C@@H]2C)[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl ZINC000238776469 GD Annotated Reactive C[C@H]1CC[C@H](O)[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 ZINC000238776475 GD Annotated Anodyne C/C=C1\C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000238776564 GD Annotated Anodyne C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238776650 GD Annotated Mild CC(C)CC(=O)O[C@@H]1C(=O)[C@@]2(C)O[C@H]2C[C@H]1[C@@]1(C(=O)/C=C/C(C)(C)O)CO1 ZINC000238776761 GD Annotated Mild C[C@H]1OC=C(C(=O)OCCCc2ccc(O)c(O)c2)[C@@H](CC(=O)O)[C@@H]1C=O ZINC000238776950 GD Annotated Mild C/C=C1/C(=O)N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000238776962 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(O)[C@H](O)[C@@H]12 ZINC000238776982 GD Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@@H](O)[C@H]1[C@@](C)(COC=O)CCC[C@]21C ZINC000238777025 GD Annotated Mild C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C=O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238777041 GD Annotated Mild C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12)[C@@H](O)CO ZINC000238777098 GD Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@H](O)C3=CC[N+](CCl)(C2)[C@H]31 ZINC000238777317 GD Annotated Reactive CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@@H](C)C(=O)CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O ZINC000238777397 GD Annotated Anodyne CCOCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@H]2OC(C)=O)OC1=O ZINC000238777400 GD Annotated Anodyne C=C(C)C(=O)O[C@@H]1CC(CO)=C2C(=O)C(Cl)=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238777617 GD Annotated Mild CC(C)CC(=O)O[C@@H]1C(=O)[C@@]2(C)O[C@H]2C[C@H]1[C@]1(C(=O)/C=C/C(C)(C)OO)CO1 ZINC000238777634 GD Annotated Reactive COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 ZINC000238777725 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3OC(C)=O ZINC000238777771 GD Annotated Mild C/C=C(\C)C(=O)O[C@@]12CC=C(CO)[C@@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)[C@H]1O[C@]12C ZINC000238777778 GD Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238777794 GD Annotated Reactive C/C=C(/C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@@H](CO)C[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000238777875 GD Annotated Mild CC(C)=CC[C@@]1(C)C(O)=C(C(=O)C(C)C)C(=O)[C@@]2(O)C[C@@H](C(C)(C)O)O[C@@]12O ZINC000238778029 GD Annotated Mild C=C1C(=O)O[C@H]2[C@@H](OC(=O)/C(C)=C\C)[C@@](C)([C@H]3CO3)[C@H](C(=C)C=O)[C@H](O)[C@@H]12 ZINC000238778069 GD Annotated Reactive C=C1C(=O)[C@@]23[C@H]4O[C@@H](C)O[C@]25OC[C@]2([C@@H](O)CCC(C)(C)[C@H]2[C@@H]5O)[C@@H]3CC[C@@H]14 ZINC000238778096 GD Annotated Mild COc1c(OC[C@@H]2O[C@@]2(C)C[C@H]2C[C@](C)(O)C(=O)O2)ccc2ccc(=O)oc12 ZINC000238778152 GD Annotated Anodyne CN1C(=S)c2cc(C(N)=O)nc3c(N)c(I)c(N)c1c23 ZINC000238778318 GD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H](C)CCC/C(CO)=C\[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12 ZINC000238778349 GD Annotated Mild COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@H]2C[C@@H](/C=C\C(=O)O)[C@H](CO)CN12 ZINC000238778728 GD Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@@]3(C)O[C@@H]3CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O ZINC000238779275 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238779283 GD Annotated Reactive O[C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H]1CO[C@]2(O)c1ccc2c(c1)OCO2 ZINC000238779908 GD Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C(C)=O)[C@H]32)[C@@H]1O ZINC000238779965 GD Annotated Anodyne C[C@H]1[C@@H](O)C[C@]23COC(=O)[C@H]2CC[C@@H](O)[C@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238780394 GD Annotated Anodyne C/C=C1\CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@@H]1[C@]4(C(=O)OC)[C@H](O)O2 ZINC000238780486 GD Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@]23[C@@H]2C[C@H]1[C@@]4(C(=O)OC)[C@H](O)O2 ZINC000238780707 GD Annotated Anodyne O=C1C[C@@H](O)[C@@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@H](O)CC5=O ZINC000238780982 GD Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@@](O)(OC5)[C@@]3([C@@H]1O)[C@@H]2O ZINC000238781040 GD Annotated Mild COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3[C@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238781076 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1/C=C(/C)[C@H](O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(CO)=C12 ZINC000238781166 GD Annotated Anodyne C[C@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@@H](O)[C@H](O)[C@H]1O ZINC000238781279 GD Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@H](OC(C)=O)[C@@]2(C[C@H](O)[C@]2(O)[C@H]1C[C@@H](O)C2(C)C)C[C@]3(C)O ZINC000238781399 GD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC[C@@H](C)CC)[C@@H]12)O3 ZINC000238781416 GD Annotated Mild C/C=C(/C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@H](CO)C[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000238781460 GD Annotated Mild CC(=O)O[C@H]1CCC(C)(C)[C@H]2C[C@@]3(O)OC[C@@]12[C@@H]1CC[C@@H]2[C@H](O)[C@@]13[C@H](O)[C@@H]2C ZINC000238781662 GD Annotated Anodyne COc1cc(C[C@@](O)(CO)[C@H](CO)Cc2ccc3c(c2)OCO3)ccc1O ZINC000238781804 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@@H](OC(C)=O)CC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000238781822 GD Annotated Mild COCN1C(=O)C(c2ccc(O)cc2)=C(c2ccc(O)cc2)[C@@]1(O)C(=O)OC ZINC000238781970 GD Annotated Anodyne CCOCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O ZINC000238782001 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 ZINC000238782291 GD Annotated Reactive N#CN1CC[C@]23C(=O)C[C@H]4C(=CCO[C@H]5CC(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 ZINC000238782299 GD Annotated Anodyne C/C=C(/C(=O)OC)[C@@H]1C[C@H]2OC(=O)[C@]1(C=O)[C@@]13CCN[C@@]21N(C)c1ccccc13 ZINC000238782403 GD Annotated Mild COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN(C)CC[C@]25C(=O)C[C@@H]4[C@@H]3[C@H]15 ZINC000238782677 GD Annotated Anodyne C[C@@H]1C[C@H](O)[C@@]2(CO)[C@]3(CO)CCC[C@]2(O3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238782712 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)[C@@H](C)CC[C@H]2O[C@]21C=O ZINC000238782819 GD Annotated Mild O=C1C[C@H](Cc2cc(O)c(O)c(Br)c2Br)C(=O)N1 ZINC000238782869 GD Annotated Clean Nc1ncc(C2=CCNC(=O)c3[nH]cc(Br)c32)n1Br ZINC000238782987 GD Annotated Anodyne C=C1[C@@H]2[C@H](O)CC3=C(C(=O)[C@H](O)[C@@]4(C[C@@H]4C)C3=O)[C@@]2(C)CC[C@@]1(C)OC(C)=O ZINC000238783032 GD Annotated Mild COC1=C(OC)[C@]23CCc4ccc(OC)c(OC)c4[C@@]2(CC1=O)CC(=O)N3C ZINC000238783094 GD Annotated Mild CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@@]34CCN(C(=O)[C@@H]3O[C@@H]31)[C@@H]24 ZINC000238783126 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)[C@]1(C)C(=O)C[C@H](OC)[C@H]1[C@H](C)[C@H]2O ZINC000238783259 GD Annotated Mild C[C@]12C(=CC[C@H]3C(=O)O[C@H]4CO[C@]5(C)OC=C(CC[C@@H]31)[C@H]45)C[C@@H](O)[C@H](O)[C@H]2O ZINC000238783324 GD Annotated Anodyne C=C1[C@@H](O)C[C@H](O)[C@H](C)[C@@]1(C)[C@H](OC(=O)C(C)C)C1=C(C)C(=O)O[C@H]1OC ZINC000238783543 GD Annotated Mild C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@]2(OC)C[C@@H]1[C@@]5(CO)C(=O)OC ZINC000238783951 GD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H](O)C[C@@H]1[C@@]4(C=O)C(=O)OC ZINC000238784134 GD Annotated Mild C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12 ZINC000238784283 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(C(C)C)[C@H](C)O)[C@@H]12 ZINC000238784393 GD Annotated Bother CO[C@@]1(C2=CC(=O)O[C@H]2O)C[C@]2(C)[C@@H](C)C[C@H]3OC(=O)C4=CCC[C@]2(O1)[C@]43C ZINC000238784616 GD Annotated Anodyne C=C1[C@@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000238784707 GD Annotated Mild C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC(=O)[C@]1(CO[C@H](O)C1)O2 ZINC000238784816 GD Annotated Anodyne C/C=C1/CO[C@@H](O)[C@@]23C(=O)O[C@@H](C[C@@H]12)[C@]12N(C)CC[C@@]13c1ccccc1N2C ZINC000238785241 GD Annotated Anodyne C[C@]12OC=C3C[C@@H](O)[C@@H]4[C@@H](CC=C5C[C@@H](O)[C@H](O)C[C@@]54C)C(=O)O[C@H](CO1)[C@@H]32 ZINC000238785305 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@@](C)([C@H]1CO1)[C@H]2OC(=O)CC(C)C ZINC000238785313 GD Annotated Mild CN1CC[C@]23C(=O)C[C@H](C4=CCC(=O)N(c5c(O)cccc52)[C@@H]43)/C(=C\CO)C1 ZINC000238785461 GD Annotated Anodyne CN1CC[C@]23C(=O)C[C@H](C4=CCC(=O)N(c5c(O)cccc52)[C@@H]43)/C(=C/CO)C1 ZINC000238785463 GD Annotated Anodyne C=C(C(=O)OC)[C@H]1C[C@H]2[C@](C)(O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)CC[C@]2(C)CC1=O ZINC000238785625 GD Annotated Mild C/C=C(\C)C(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12)C(C)C ZINC000238785630 GD Annotated Bother C/C=C(\C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(C(C)C)[C@H](C)O)[C@@H]12 ZINC000238785734 GD Annotated Bother Cn1c[n+](C)c(Cc2nc(C(=O)O)cc3c2[nH]c2ccc(O)cc23)c1[S@@](C)=O ZINC000238786068 GD Annotated Anodyne CCOCN1C(=O)C(c2ccc(O)cc2)=C(c2ccc(O)cc2)[C@@]1(O)C(=O)OC ZINC000238786201 GD Annotated Anodyne C/C(=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C ZINC000238786977 GD Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@@H]12 ZINC000238787006 GD Annotated Anodyne CCCCOC(=O)[C@H](O)Cc1cc(O)c(O)cc1C(=O)c1ccc(O)c(O)c1 ZINC000238787330 GD Annotated Clean C/C=C1/CN2CC[C@]34c5cc(OC)ccc5N5C(=O)[C@@H](O)OC[C@H]([C@@H]1C[C@@H]23)[C@@H]54 ZINC000238787520 GD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H](C)CCC/C(CO)=C/[C@@H](OC(=O)/C(=C\CO)CO)[C@@H]12 ZINC000238787681 GD Annotated Mild C/C=C(/C)C(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)C ZINC000238787705 GD Annotated Anodyne C=C1C(=O)O[C@@]2(O)C[C@@H](C(=O)O)CCC/C(COC(C)=O)=C/[C@@H](OC(C)=O)[C@H]12 ZINC000238788311 GD Annotated Mild C=C1C(=O)O[C@@]2(O)C[C@@H](C(=O)O)CCC/C(COC(C)=O)=C\[C@@H](OC(C)=O)[C@H]12 ZINC000238788313 GD Annotated Mild COc1ccc(CCc2cc(=O)c3c(o2)[C@@H](Cl)[C@H](O)[C@H](O)[C@H]3O)cc1O ZINC000238788365 GD Annotated Reactive CCO[C@@H]1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000238788748 GD Annotated Anodyne NC(=O)[C@@H]1CS[C@H]([C@H]2CSC(c3nc4cc(Cl)ccc4cc3O)=N2)N1 ZINC000238789146 GD Annotated Anodyne COc1ccc([C@@H](O)[C@@H]2COC(=O)[C@H]2[C@H](O)c2ccc(O)c(O)c2)cc1OC ZINC000238789256 GD Annotated Clean COc1c(C(C)(C)[C@H](O)CO)c(O)c2c(=O)c3cccc(O)c3oc2c1O ZINC000238789558 GD Annotated Bother CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@H]3C1=O ZINC000245380773 GD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@H]3C1=O ZINC000245380774 GD Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000247465716 GD Annotated Anodyne NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000247754132 GD Annotated Anodyne NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000247754134 GD Annotated Anodyne CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000248265534 GD Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000002630896 GD Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCn1nnc2ccccc2c1=O ZINC000002661676 GD Annotated Anodyne CCOC(=O)N1CCN(C(=O)COc2cccc3c2CCN(CC)C3=O)CC1 ZINC000002716288 GD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000002840896 GD Annotated Anodyne CCOC(=O)/C(C#N)=c1/s/c(=C2/C=Cc3ccccc3N2CC)c(=O)n1CC ZINC000002917925 GD Annotated Mild NC(=O)C1CCN(C(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)CC1 ZINC000002921625 GD Annotated Anodyne COCCNC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C ZINC000002922371 GD Annotated Anodyne O=C(C/N=C(\O)Cn1cnc2sc3c(c2c1=O)CCCC3)N1CCOCC1 ZINC000002924783 GD Annotated Mild COCCCNC(=O)Cn1cnc2sc(C(=O)N3CCCC3)c(C)c2c1=O ZINC000002926919 GD Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CC(=O)OC)c21 ZINC000002928007 GD Annotated Anodyne COC(=O)CS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002928008 GD Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000002940364 GD Annotated Anodyne Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCC4(CC3)OCCO4)n2)cc1 ZINC000002941034 GD Annotated Anodyne COc1cc(OC)cc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)c1 ZINC000002943124 GD Annotated Anodyne CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000002954145 GD Annotated Anodyne CCOC(=O)N1CCC(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)CC1 ZINC000002960675 GD Annotated Anodyne Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCC(N)=O)n2n1 ZINC000002969647 GD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc(F)c(C)c2)[C@H]3C1=O ZINC000250467456 GD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2CCCCCC2)[C@H]3C1=O ZINC000250478162 GD Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000250660934 GD Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1ccc2ccccc21 ZINC000250762859 GD Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 ZINC000251458189 GD Annotated Anodyne CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3F)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000252426803 GD Annotated Reactive CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3F)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 ZINC000252426804 GD Annotated Reactive CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3F)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000252426805 GD Annotated Reactive O=[N+]([O-])c1ccc(C=c2nc(O)c(=Cc3ccc([N+](=O)[O-])cc3)nc2O)cc1 ZINC000253497161 GD Annotated Bother CCN1C[C@@]2(C)CC[C@@H](OC)[C@@]34[C@H]5C[C@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@H](O)[C@@H]23)[C@@H]14 ZINC000253592385 GD Annotated Anodyne CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]5C[C@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@H](O)[C@@H]23)[C@@H]14 ZINC000253592387 GD Annotated Anodyne CCN1C[C@@]2(C)CC[C@@H](OC)[C@@]34[C@H]5C[C@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@@H]23)[C@@H]14 ZINC000253592388 GD Annotated Anodyne CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]5C[C@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@@H]23)[C@@H]14 ZINC000253592391 GD Annotated Anodyne CC(=O)OC[C@@H]1C[C@H](OC(C)=O)[C@H](n2cc(Br)c(O)nc2=O)C1 ZINC000253633176 GD Annotated Anodyne CC(=O)OC[C@@H]1C[C@@H](n2cc(Br)c(O)nc2=O)C[C@H]1OC(C)=O ZINC000253633642 GD Annotated Anodyne CC(=O)OC[C@@H]1C[C@H](n2cc(Br)c(O)nc2=O)C[C@H]1OC(C)=O ZINC000253633643 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1c[nH]cn1 ZINC000253634494 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1c[nH]cn1 ZINC000253634495 GD Annotated Anodyne CCC[C@@H]1C[C@H](C(=O)N[C@](C)(CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000253634575 GD Annotated Bother COC(=O)[C@@H](CCO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)NC(=O)[C@@H](N)CC(=O)O ZINC000253637399 GD Annotated Anodyne COC(=O)[C@@H](CCO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)NC(=O)[C@@H](N)CC(=O)O ZINC000253637401 GD Annotated Anodyne COC(=O)[C@H](CCO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)NC(=O)[C@@H](N)CC(=O)O ZINC000253637403 GD Annotated Anodyne O=[N+]([O-])c1ccc(C=c2nc(O)c(=Cc3ccccc3[N+](=O)[O-])nc2O)cc1 ZINC000253639069 GD Annotated Bother C[C@]12CC(=O)[C@@H]3[C@H](CCC(=O)[C@]3(C)C(=O)O)[C@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000253644968 GD Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC(=O)[C@]3(C)C(=O)O)[C@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000253644969 GD Annotated Anodyne CC[C@@H](CO)N1CCN([C@H](CC)CO)[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000253654745 GD Annotated Mild C=CCOC(=O)N[C@]1(Cc2ccccc2)CC[N@+]2(CCC[C@H]2C(=O)OC)[C@@H]1O ZINC000253666437 GD Annotated Mild C=CCOC(=O)N[C@]1(Cc2ccccc2)CC[N@+]2(CCC[C@H]2C(=O)OC)[C@H]1O ZINC000253666444 GD Annotated Mild C=CCOC(=O)N[C@]1(Cc2ccccc2)CC[N@@+]2(CCC[C@H]2C(=O)OC)[C@@H]1O ZINC000253666449 GD Annotated Mild C=CCOC(=O)N[C@]1(Cc2ccccc2)CC[N@@+]2(CCC[C@H]2C(=O)OC)[C@H]1O ZINC000253666455 GD Annotated Mild CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H]1CCCO1 ZINC000253693729 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H]1CCCO1 ZINC000253693735 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)[C@H]1CCCO1 ZINC000253693739 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@H]1CCCO1 ZINC000253693745 GD Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@+]13[O-] ZINC000253776854 GD Annotated Bother CC(=O)O[C@@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@+]13[O-] ZINC000253776860 GD Annotated Bother CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@@+]13[O-] ZINC000253776865 GD Annotated Bother CC(=O)O[C@@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@@+]13[O-] ZINC000253776869 GD Annotated Bother N=C(NN=Cc1ccc2nc(C=NNC(=N)N3CCCC3)cn2c1)N1CCCC1 ZINC000253806701 GD Annotated Mild CO[C@H](C)C(=O)N(c1ccccc1F)[C@@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000253850627 GD Annotated Anodyne C#C[C@H]1CC[C@@H](C#N)N1C(=O)CN[C@@H]1CC[C@@H](Oc2ccc(C#N)cn2)CC1 ZINC000253861495 GD Annotated Mild O[C@@H]1CC[C@@H](Nc2ncc3nnn(C45C[C@@H]6C[C@@H](CC(O)(C6)C4)C5)c3n2)CC1 ZINC000253861530 GD Annotated Anodyne COc1cc(OC)c(C=c2nc(O)c(=Cc3cccs3)nc2O)c(OC)c1 ZINC000253917107 GD Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=[N+](C)c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@+]13[O-] ZINC000253975342 GD Annotated Bother CC(=O)O[C@@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+](C)c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@@+]13[O-] ZINC000253975350 GD Annotated Bother CC(=O)O[C@@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+](C)c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@+]13[O-] ZINC000253975358 GD Annotated Bother CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=[N+](C)c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@@+]13[O-] ZINC000253975361 GD Annotated Bother COC(=O)Cn1c(O)c(N=NC(=O)CNC(=O)c2ccncc2)c2ccccc21 ZINC000253977895 GD Annotated Clean C[C@@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253986526 GD Annotated Anodyne C[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253986529 GD Annotated Anodyne C[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253986532 GD Annotated Anodyne C[C@@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253986536 GD Annotated Anodyne Oc1nc(=Cc2ccc(OCc3ccccc3)cn2)c(O)nc1=Cc1cccnc1 ZINC000254075410 GD Annotated Anodyne C=CCOC(=O)[C@H]1[C@H]2O[C@@]3(C(C(=O)OC)=C2C(=O)OC)c2ccccc2CC[C@H]13 ZINC000254078713 GD Annotated Mild C=CCOC(=O)[C@@H]1[C@H]2O[C@@]3(C(C(=O)OC)=C2C(=O)OC)c2ccccc2CC[C@H]13 ZINC000254079132 GD Annotated Mild C=CCOC(=O)[C@@H]1[C@@H]2CCc3ccccc3[C@]23O[C@H]1C(C(=O)OC)=C3C(=O)OC ZINC000254079134 GD Annotated Mild CC(=O)OC[C@@]12CN(C#N)[C@H]3[C@@H]4CO[C@@H](C[C@H]41)[C@]1(C(=O)N(C)c4ccccc41)[C@H]32 ZINC000254079236 GD Annotated Anodyne CC(=O)OC[C@@]12CN(C#N)[C@H]3[C@H]4CO[C@@H](C[C@H]41)[C@@]1(C(=O)N(C)c4ccccc41)[C@H]32 ZINC000254079237 GD Annotated Anodyne CC(=O)OC[C@@]12CN(C#N)[C@H]3[C@@H]4CO[C@@H](C[C@H]41)[C@@]1(C(=O)N(C)c4ccccc41)[C@H]32 ZINC000254079238 GD Annotated Anodyne CC(=O)OC[C@@]12CN(C#N)[C@H]3[C@H]4CO[C@@H](C[C@H]41)[C@]1(C(=O)N(C)c4ccccc41)[C@H]32 ZINC000254079239 GD Annotated Anodyne C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(C[C@@H]3C[C@H](O)[C@H](O)C3)c2n1 ZINC000254081048 GD Annotated Anodyne C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(C[C@H]3C[C@H](O)[C@H](O)C3)c2n1 ZINC000254081051 GD Annotated Anodyne C=CCc1ccccc1[C@@H]1C[C@@]2(C(=O)OC)O[C@H]1C(C(=O)OC)=C2C(=O)OC ZINC000254081959 GD Annotated Mild C=CCc1ccccc1[C@H]1C[C@@]2(C(=O)OC)O[C@H]1C(C(=O)OC)=C2C(=O)OC ZINC000254081964 GD Annotated Mild Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1 ZINC000254112462 GD Annotated Reactive COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CN1C ZINC000254120932 GD Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2CN1C ZINC000254127888 GD Annotated Anodyne CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccco1 ZINC000254128364 GD Annotated Reactive COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2CN1C ZINC000254129491 GD Annotated Anodyne COC(=O)C1=C(SC)S[C@@]2(C(=O)OC)[C@H]3C=C(C)[C@H]4[C@@H](N13)[C@]42C(=O)OC ZINC000254130764 GD Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)NN=c2sc3ccccc3n2C)cc1N ZINC000254133957 GD Annotated Anodyne COC(=O)c1cncc2c1C[C@H]1[C@]2(C)[C@H]2N=C[C@@]1(C(=O)OC)[C@H]1CC=C(CO)[C@@H]21 ZINC000254135646 GD Annotated Anodyne COC(=O)c1cncc2c1C[C@@H]1[C@@]3(C(=O)OC)C=N[C@@H]([C@@H]4C(CO)=CC[C@@H]43)[C@@]21C ZINC000254135647 GD Annotated Anodyne COC(=O)c1cncc2c1C[C@H]1[C@]2(C)[C@H]2N=C[C@@]1(C(=O)OC)[C@@H]1CC=C(CO)[C@@H]21 ZINC000254135649 GD Annotated Anodyne COC(=O)c1cncc2c1C[C@H]1[C@@]2(C)[C@H]2N=C[C@@]1(C(=O)OC)[C@@H]1CC=C(CO)[C@@H]21 ZINC000254136336 GD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2c(n[nH]c2O)C[C@]1(O)OCC ZINC000254224164 GD Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2c(n[nH]c2O)C[C@]1(O)OCC ZINC000254224165 GD Annotated Anodyne CCOC(=O)C1=C(C)N(C)[C@@]23O[C@@]4(C(=O)OC)C[C@@H]2c2ccccc2[C@H]1N3C4=O ZINC000254239086 GD Annotated Anodyne CCOC(=O)C1=C(C)N(C)[C@@]23O[C@@]4(C(=O)OC)C[C@H]2c2ccccc2[C@H]1N3C4=O ZINC000254239087 GD Annotated Anodyne COc1cccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254290751 GD Annotated Mild COc1cccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254290757 GD Annotated Mild COc1cccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254290764 GD Annotated Mild COc1cccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254290770 GD Annotated Mild COc1cc(N=c2oc3c(C)ncc(CO)c3cc2C(N)=O)cc(OC)c1OC ZINC000254401139 GD Annotated Anodyne COc1ccc(OCC(=O)NN=c2oc3c(OC)cccc3cc2C(N)=O)cc1 ZINC000254410194 GD Annotated Reactive aggregator O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)[C@@H]1CCCO1 ZINC000254449647 GD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)[C@H]1CCCO1 ZINC000254449654 GD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)[C@H]1CCCO1 ZINC000254449658 GD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)[C@@H]1CCCO1 ZINC000254449662 GD Annotated Mild COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254612413 GD Annotated Mild COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254612415 GD Annotated Mild COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254612417 GD Annotated Mild COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254612419 GD Annotated Mild CCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2c(OC)ccc(OC)c21 ZINC000254700280 GD Annotated Anodyne CCOC(=O)c1sc(=NC(=O)CCS(=O)(=O)c2ccccc2)n(C)c1C ZINC000254736313 GD Annotated Anodyne COc1ccc(CCN2C(=NC(C)=O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254739600 GD Annotated Mild COc1ccc(CCN2C(=NC(C)=O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254739601 GD Annotated Mild COc1ccc(CCN2C(=NC(C)=O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254739602 GD Annotated Mild COc1ccc(CCN2C(=NC(C)=O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254739603 GD Annotated Mild C#CCn1c(=NC(=O)CSCC(=O)N2CCOCC2)sc2ccccc21 ZINC000254740187 GD Annotated Mild COc1cccc(CN2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254756711 GD Annotated Mild COc1cccc(CN2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254756712 GD Annotated Mild COc1cccc(CN2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254756713 GD Annotated Mild COc1cccc(CN2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254756714 GD Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254762899 GD Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254762903 GD Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254762907 GD Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254762911 GD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000254820815 GD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000254820816 GD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000254820817 GD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000254820818 GD Annotated Mild COc1ccc(CN2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254825431 GD Annotated Mild COc1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254842553 GD Annotated Mild COc1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254842554 GD Annotated Mild COc1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254842555 GD Annotated Mild COc1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254842556 GD Annotated Mild COc1ccc(CN2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254857031 GD Annotated Mild COc1ccc(CN2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254857033 GD Annotated Mild COc1ccc(CN2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254857035 GD Annotated Mild CCOC(=O)Cn1c(=NC(=O)CSC(C)=O)sc2cc(OC)ccc21 ZINC000254858329 GD Annotated Anodyne Cc1c(N2CC[C@@H](CN)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000025971122 GD Annotated Anodyne CCC/N=c1\c(O)c(O)\c1=N/[C@@H](Cc1ccc(Oc2ncccn2)cc1)C(=O)O ZINC000025995537 GD Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@]4([C@@H]3C[C@@H]2O)[C@@H]1[N@+]([O-])(CC)C5 ZINC000255205455 GD Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@]4([C@@H]3C[C@H]2O)[C@@H]1[N@+]([O-])(CC)C5 ZINC000255205456 GD Annotated Mild CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6O ZINC000255217593 GD Annotated Anodyne COC[C@]12C=N[C@@H]3[C@@H]4C[C@H]1[C@@]3([C@@H](OC)CC2)[C@@H]1C[C@@H]2[C@@H](OC)C[C@@]4(O)[C@H]1[C@H]2O ZINC000255221541 GD Annotated Anodyne CO[C@H]1[CH][C@@H]2C[C@H](C)[C@H](C)C[C@H]3[CH][C@H](O)[C@@H](OC)[C@H](OC)[C@H]3[C@@H]2[C@@H](OC)[C@H]1O ZINC000255247897 GD Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC[C@@](C)(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]2[C@@H]13 ZINC000255247900 GD Annotated Anodyne C=C1[C@@H](O)[C@@]23C[C@H]4[C@H]5[C@@]6([C@@H](O)CC[C@@]5(C)C[N@+]([O-])(CC)[C@H]46)[C@@H]2C[C@H](O)[C@@H]1C3 ZINC000255255452 GD Annotated Mild CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6OC ZINC000255258529 GD Annotated Anodyne C[C@@]1(CO)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H](O)C[C@H](O)[C@]21C ZINC000255261605 GD Annotated Anodyne C=C1[C@H]2CC[C@]3([C@H]([C@H]2O)[C@@]24[C@@H](O)CC[C@@]5(C)C[N@@+]([O-])(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1O ZINC000255261619 GD Annotated Mild CO[C@H]1[CH][C@H]2C[C@H](C)[C@H](C)C[C@@H]3[CH][C@H](O)[C@@H](OC)[C@@H](O)[C@@H]3[C@H]2[C@H](OC)[C@H]1OC ZINC000255271289 GD Annotated Anodyne CCN1C[C@H]2CC[C@H](OC)[C@]34[C@H]2C[C@H]([C@H]13)[C@]1(O)C[C@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O ZINC000255272691 GD Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@@H](O)C[C@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000255281862 GD Annotated Mild COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@H](O)C[C@H]4[C@@H](C)[C@H](O)[C@H](O)[C@@H]([C@@]2(C)C1=O)[C@]43C ZINC000255281863 GD Annotated Mild COC1=C[C@@H](C)[C@H]2C[C@@H]3O[C@H](O)C[C@@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000255281864 GD Annotated Mild CO[C@H]1[CH][C@H]2C[C@H](C)[C@H](C)C[C@@H]3[CH][C@@H](O)[C@@H](OC)[C@@H](OC)[C@@H]3[C@H]2[C@H](O)[C@@H]1OC ZINC000255282626 GD Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@@H](OC(=O)C(C)C)[C@H]1[C@@H](O)[C@@H]73 ZINC000255284923 GD Annotated Mild C=C1[C@H](O)[C@H](O)[C@H]2[C@@]3(C)[C@H](C[C@H]4[C@@H](C)C=C(OC)C(=O)[C@]42C)OC(=O)C[C@H]13 ZINC000257396473 GD Annotated Mild C=C1[C@H](O)[C@H](O)[C@H]2[C@@]3(C)[C@H](C[C@H]4[C@@H](C)C=C(OC)C(=O)[C@]42C)OC(=O)C[C@@H]13 ZINC000257396474 GD Annotated Mild C=C1[C@H](O)[C@H](O)[C@@H]2[C@]3(C)C(=O)C(OC)=C[C@H](C)[C@@H]3C[C@@H]3OC(=O)C[C@H]1[C@@]32C ZINC000257396475 GD Annotated Mild C=C1[C@H](O)[C@H](O)[C@@H]2[C@]3(C)C(=O)C(OC)=C[C@H](C)[C@@H]3C[C@@H]3OC(=O)C[C@@H]1[C@@]32C ZINC000257396476 GD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)C[C@H](O)C[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257400276 GD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257400277 GD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)C[C@H](O)C[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257400278 GD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257400279 GD Annotated Mild COC(=O)C1=CO[C@H](C)[C@H](C=O)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1 ZINC000257403784 GD Annotated Mild C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@H]1[C@@](C)(C(=O)O)CCC[C@]13C(=O)O ZINC000257430888 GD Annotated Mild C=C1[C@H]2CC[C@H]3[C@](C2)([C@@H]1O)[C@H](C(=O)O)[C@H]1[C@@](C)(C(=O)O)CCC[C@]13C(=O)O ZINC000257430889 GD Annotated Mild C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@H](C(=O)O)[C@H]1[C@@](C)(C(=O)O)CCC[C@]13C(=O)O ZINC000257430890 GD Annotated Mild C=C1[C@H]2CC[C@H]3[C@@](C2)([C@@H](C(=O)O)[C@H]2[C@@](C)(C(=O)O)CCC[C@]23C(=O)O)[C@@H]1O ZINC000257430891 GD Annotated Mild C[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC[C@](C)(O)[C@@H]3C2)[C@H](O)[C@H](O)[C@@H]1O ZINC000257439637 GD Annotated Anodyne C[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC[C@](C)(O)[C@@H]3C2)[C@H](O)[C@H](O)[C@H]1O ZINC000257439638 GD Annotated Anodyne C[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC[C@](C)(O)[C@@H]3C2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257439639 GD Annotated Anodyne C[C@@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC[C@](C)(O)[C@@H]3C2)[C@H](O)[C@@H](O)[C@H]1O ZINC000257439640 GD Annotated Anodyne C[C@]1(O)C[C@H](C[C@](C)(O)[C@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000257461154 GD Annotated Anodyne C[C@]1(O)C[C@H](C[C@@](C)(O)[C@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000257461155 GD Annotated Anodyne C[C@]1(O)C[C@H](C[C@@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000257461156 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)[C@H](O)[C@@H]2CC[C@H](O)[C@@H](C)[C@@]12C ZINC000257486690 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)[C@H](O)[C@@H]2CC[C@H](O)[C@@H](C)[C@]12C ZINC000257486691 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)[C@H](O)[C@@H]2CC[C@H](O)[C@H](C)[C@]12C ZINC000257486692 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)[C@H](O)[C@@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000257486693 GD Annotated Anodyne CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000257492264 GD Annotated Anodyne CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000257492265 GD Annotated Anodyne CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000257492266 GD Annotated Anodyne CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000257492267 GD Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)C(C)=CC[C@@]12[C@@H]1[C@H](C)COC(=O)[C@H]1O[C@]2(C)O ZINC000257499576 GD Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)C(C)=CC[C@@]12[C@@H]1[C@H](C)COC(=O)[C@@H]1O[C@]2(C)O ZINC000257499577 GD Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)C(C)=CC[C@@]12[C@@H]1[C@H](C)COC(=O)[C@H]1O[C@@]2(C)O ZINC000257499578 GD Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)C(C)=CC[C@@]12[C@@H]1[C@H](C)COC(=O)[C@@H]1O[C@@]2(C)O ZINC000257499579 GD Annotated Anodyne C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257500608 GD Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257500609 GD Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257500610 GD Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257500611 GD Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257537326 GD Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257537327 GD Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257537328 GD Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257537329 GD Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1C[C@@]3(C=C(Br)[C@H]1O)CCN2 ZINC000257545496 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](O)[C@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 ZINC000257555272 GD Annotated Reactive C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 ZINC000257555273 GD Annotated Reactive C=C1C(=O)O[C@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)OO4)[C@@](C)(OC(=O)/C(C)=C/C)[C@@H](O)C[C@H]12 ZINC000257555274 GD Annotated Reactive C=C1C(=O)O[C@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)OO4)[C@](C)(OC(=O)/C(C)=C/C)[C@@H](O)C[C@H]12 ZINC000257555275 GD Annotated Reactive COc1ccc2c(c1OC)[C@]13CCN(C)[C@@]14C[C@H]2O[C@@]4(OC)[C@@H](OC)C(=O)C3 ZINC000257558456 GD Annotated Anodyne COc1ccc2c(c1OC)[C@]13CCN(C)[C@@]14C[C@H]2O[C@]4(OC)[C@H](OC)C(=O)C3 ZINC000257558457 GD Annotated Anodyne COc1ccc2c(c1OC)[C@]13CCN(C)[C@@]14C[C@H]2O[C@]4(OC)[C@@H](OC)C(=O)C3 ZINC000257558458 GD Annotated Anodyne COc1ccc2c(c1OC)[C@]13CCN(C)[C@@]14C[C@H]2O[C@@]4(OC)[C@H](OC)C(=O)C3 ZINC000257558459 GD Annotated Anodyne CC(C)=C1C[C@]2(O)[C@H](C[C@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@@]23O)C1(C)C ZINC000257592722 GD Annotated Mild CC(C)=C1C[C@]2(O)[C@H](C[C@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@]23O)C1(C)C ZINC000257592723 GD Annotated Mild CC(C)=C1C[C@]2(O)[C@H](C[C@@]3(O)C(=O)C(C(=O)CC(C)C)=C(O)[C@]32O)C1(C)C ZINC000257592724 GD Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](O)C[C@@H]4[C@H](C)C(=O)[C@H](O)[C@H]([C@]2(C)C1=O)[C@]34C ZINC000257805879 GD Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](O)C[C@@H]4[C@H](C)C(=O)[C@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000257805880 GD Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](O)C[C@@H]4[C@H](C)C(=O)[C@H](O)[C@@H]([C@@]34C)[C@]2(C)C1=O ZINC000257805881 GD Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](O)C[C@@H]4[C@H](C)C(=O)[C@H](O)[C@H]([C@@]2(C)C1=O)[C@]34C ZINC000257805882 GD Annotated Mild CCC[C@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O ZINC000026013803 GD Annotated Anodyne CCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O ZINC000026014126 GD Annotated Anodyne CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1 ZINC000026021395 GD Annotated Anodyne CSc1nc2nc(NS(=O)(=O)c3ccc(Cl)cc3)nn2c(N)c1C#N ZINC000026026727 GD Annotated Mild CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCNCCP(=O)(O)O)C(=O)O ZINC000026026770 GD Annotated Anodyne CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCNCCP(=O)(O)O)C(=O)O ZINC000026026776 GD Annotated Anodyne COCC[C@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC ZINC000026144845 GD Annotated Anodyne COCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC ZINC000026144852 GD Annotated Anodyne NC(=O)c1cc2sc(NC(=O)c3csc(N=C(N)N)n3)nc2cc1Cl ZINC000026154258 GD Annotated Mild CCCCSC[S@@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026161804 GD Annotated Anodyne CCCCSC[S@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026161811 GD Annotated Anodyne N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N[C@@H](CC(=O)O)c3cccnc3)C2)cc1 ZINC000026169228 GD Annotated Anodyne CN[P@@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl ZINC000026170921 GD Annotated Reactive N[C@@H]1CCN(c2nc3c(cc2Cl)c(=O)c(C(=O)O)cn3-c2nccs2)C1 ZINC000026176105 GD Annotated Anodyne N[C@H]1CCN(c2nc3c(cc2Cl)c(=O)c(C(=O)O)cn3-c2nccs2)C1 ZINC000026176110 GD Annotated Anodyne C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H](C)N1 ZINC000026180290 GD Annotated Anodyne N[C@@H]1CCN(c2cc(Cl)c3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026188651 GD Annotated Anodyne N[C@H]1CCN(c2cc(Cl)c3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026188655 GD Annotated Anodyne O=C(O)c1cn(-c2nccs2)c2nc(N3C[C@@H]4CCCN[C@@H]4C3)ccc2c1=O ZINC000026246814 GD Annotated Anodyne C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@]1(C)N ZINC000026246821 GD Annotated Anodyne CN[C@@]1(C)CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026246828 GD Annotated Anodyne CN[C@]1(C)CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026246836 GD Annotated Anodyne CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1C ZINC000026246842 GD Annotated Anodyne CN[C@@H]1CCCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026250241 GD Annotated Anodyne CN[C@H]1CCCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026250247 GD Annotated Anodyne CC(=O)OCN1C(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026282449 GD Annotated Anodyne CC(=O)OCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026282453 GD Annotated Anodyne C[C@H]1C(/C=C/CSc2cc[n+](C)cc2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026282904 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4cccc(C#N)c4)cc3)C[C@H]12 ZINC000026283409 GD Annotated Mild CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H](CNS(=O)(=O)Cc3ccccc3)[C@H]2O1 ZINC000026285089 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4ccccc4N)cc3)C[C@H]12 ZINC000026288165 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4cccc(N)c4)cc3)C[C@H]12 ZINC000026289491 GD Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O1 ZINC000026291665 GD Annotated Anodyne O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cn(-c2ccccc2)c(=O)[nH]c1=O ZINC000026293034 GD Annotated Bother C[C@@]1(CSC2=NCCS2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O ZINC000026375616 GD Annotated Reactive CCCCCC(=O)N1C/C(=C(\C)Cn2nnc(C(=O)OC)c2C(=O)OC)C1=O ZINC000026377174 GD Annotated Anodyne Cn1ccnc1SC[C@]1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O ZINC000026378156 GD Annotated Reactive CCCCCC(=O)N1C[C@H]([C@H](C)Cn2nnc(C(=O)OC)c2C(=O)OC)C1=O ZINC000026378221 GD Annotated Anodyne O=C(O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H](C(=O)NCc3ccccc3)CC(=O)N12 ZINC000026385259 GD Annotated Anodyne CCC(=O)N(c1ccccc1)C1CCN(CCn2nnn(C(C)C)c2=O)CC1 ZINC000026389712 GD Annotated Anodyne CN1C[C@@H](CC2SCCCS2)O[P@@]1(=O)Oc1c[nH]c(=O)[nH]c1=O ZINC000026468066 GD Annotated Anodyne CN1C[C@H](CC2SCCCS2)O[P@@]1(=O)Oc1c[nH]c(=O)[nH]c1=O ZINC000026468072 GD Annotated Anodyne OC[C@@H]1O[C@@H](O)[C@@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O ZINC000026471109 GD Annotated Bother OC[C@H]1O[C@@H](O)[C@@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O ZINC000026471115 GD Annotated Bother OC[C@@H]1O[C@H](O)[C@@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O ZINC000026471122 GD Annotated Bother OC[C@H]1O[C@H](O)[C@@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O ZINC000026471130 GD Annotated Bother C=C1C[C@](Cn2cc(Br)c(=O)[nH]c2=O)(c2ccc(F)cc2)OC1=O ZINC000026490489 GD Annotated Mild C=C1C[C@@](Cn2cc(Br)c(=O)[nH]c2=O)(c2ccc(F)cc2)OC1=O ZINC000026490494 GD Annotated Mild C[C@H]1C(COc2ccc3occc(=O)c3c2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026494138 GD Annotated Anodyne O=C(NCC1CCNCC1)[C@@H]1CC[C@H]2[C@@H](OCc3ccccc3)CCC(=O)N12 ZINC000026495948 GD Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)O)C(=O)NC2 ZINC000026497481 GD Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@@H](CC(=O)O)C(=O)NC2 ZINC000026497484 GD Annotated Anodyne COc1cc(CNC(=O)c2ccc3ccc(C(=O)O)c(O)c3n2)cc(O)c1O ZINC000026497841 GD Annotated Clean CCN(CC)Cc1cccc(C(=O)OCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000026499865 GD Annotated Anodyne C[N@@+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13 ZINC000261075009 GD Annotated Bother N[C@@H]1NC=Nc2c(CN3C[C@H](CSc4ccc(F)cc4)[C@@H](O)C3)c[nH]c21 ZINC000261076017 GD Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@@H](O)[C@H](CSc4ccc(F)cc4)C3)c[nH]c21 ZINC000261076018 GD Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4ccc(F)cc4)C3)c[nH]c21 ZINC000261076019 GD Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@H](O)[C@H](N)[C@H](C)O)c21 ZINC000261161907 GD Annotated Mild CC(C)(O)[C@H](CO)NCc1ccnc(-c2ccc(OCC(F)(F)F)nc2)n1 ZINC000261190176 GD Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 ZINC000263590393 GD Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000263590394 GD Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C1 ZINC000263590395 GD Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 ZINC000263590396 GD Annotated Anodyne COC(=O)[C@H]1CN(CC(C)C)CCS(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000263590590 GD Annotated Anodyne CC[C@@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccccc1 ZINC000263591054 GD Annotated Anodyne CC[C@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccccc1 ZINC000263591055 GD Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2C(=O)[C@@H]1NC(=O)c1ccccc1 ZINC000263591244 GD Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2C(=O)[C@@H]1NC(=O)c1ccccc1 ZINC000263591245 GD Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2C(=O)[C@H]1NC(=O)c1ccccc1 ZINC000263591246 GD Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2C(=O)[C@H]1NC(=O)c1ccccc1 ZINC000263591247 GD Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5[C@H]3C4 ZINC000263591280 GD Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5[C@H]3C4 ZINC000263591281 GD Annotated Anodyne O[C@@H]1CO[C@H](c2ccccc2)O[C@@H]1[C@@H](O)[C@@H]1O[C@@H](c2ccccc2)OC[C@H]1O ZINC000263591395 GD Annotated Anodyne O[C@H]1CO[C@H](c2ccccc2)O[C@H]1[C@H](O)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O ZINC000263591396 GD Annotated Anodyne O[C@H]1CO[C@@H](c2ccccc2)O[C@H]1[C@H](O)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O ZINC000263591397 GD Annotated Anodyne O[C@@H]1CO[C@H](c2ccccc2)O[C@@H]1[C@@H](O)[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O ZINC000263591398 GD Annotated Anodyne Cc1ccc(CN2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000263591773 GD Annotated Mild Cc1ccc(CN2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000263591774 GD Annotated Mild Cc1ccc(CN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000263591775 GD Annotated Mild Cc1ccc(CN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000263591776 GD Annotated Mild O=C1CCCN1CCCN=c1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)n1O ZINC000263592035 GD Annotated Bother O=C1C=CC(Br)=C/C1=c1\[nH]c2n(c1=NC1CCCCC1)C=CNC=2 ZINC000263592117 GD Annotated Mild COc1ccc(CCN=c2c([N+](=O)[O-])nn(-c3ccccc3)n2O)cc1OC ZINC000263592171 GD Annotated Bother Cc1ccc(CN=c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc1 ZINC000263592221 GD Annotated Bother O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCc1ccc(F)cc1 ZINC000263592222 GD Annotated Bother COc1ccccc1CN=c1c([N+](=O)[O-])nn(-c2ccc3c(c2)OCCO3)n1O ZINC000263592233 GD Annotated Bother Cc1nnc(S(=O)(=O)c2ccc(N=Nc3c(N)nc(N)nc3N)cc2)s1 ZINC000263609199 GD Annotated Clean C/C=C(\C)C(=O)O[C@@H]1CC[N@@+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12 ZINC000263614540 GD Annotated Bother in-vitro C[C@@H]1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000263637719 GD Annotated Anodyne C[C@@H]1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000263637720 GD Annotated Anodyne C[C@@H]1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000263637721 GD Annotated Anodyne C[C@@H]1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000263637722 GD Annotated Anodyne Cc1ccc(C(=O)/C=C/c2[nH]c(=O)[nH]c(=O)c2I)cc1 ZINC000026500477 GD Annotated Mild CCC[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)CCN3CCCCC3)[C@@H]21 ZINC000026500888 GD Annotated Anodyne CCC[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)CCN3CCCCC3)[C@H]12 ZINC000026500891 GD Annotated Anodyne CCC[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)CCN3CCCCC3)[C@H]21 ZINC000026500894 GD Annotated Anodyne CCC[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)CCN3CCCCC3)[C@@H]12 ZINC000026500897 GD Annotated Anodyne NC(=O)C[C@@H]1NC(=O)CCc2ccc(O)c(c2)Oc2ccc(cc2)CCNC1=O ZINC000026501764 GD Annotated Anodyne NC(=O)C[C@@H]1NC(=O)CCc2cccc(c2)Oc2ccc(cc2)CCNC1=O ZINC000026501879 GD Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000026568376 GD Annotated Bother CC(=O)O[C@H]1CCCN2[C@H]1C[C@@H](O)[C@@H](n1cnc3ccccc3c1=O)C2(C)C ZINC000026571367 GD Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c2ccco2)[C@@]2(C)CC[C@@H]1C2 ZINC000026571744 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000026571748 GD Annotated Anodyne CC(=O)O[C@H]1CCCN(C(C)=O)[C@@H]1CC(=O)Cn1cnc2ccccc2c1=O ZINC000026576120 GD Annotated Anodyne CC(=O)O[C@H]1CCCN(C(C)=O)[C@H]1CC(=O)Cn1cnc2ccccc2c1=O ZINC000026576121 GD Annotated Anodyne O=C1c2ccsc2C(=O)c2c(NCCN3CC3)ccc(NCCN3CC3)c21 ZINC000026577243 GD Annotated Clean CC(=O)O[C@@H](CC#CCS(=O)(=O)c1ccccc1)Cn1ccnc1[N+](=O)[O-] ZINC000026579807 GD Annotated Mild CC(=O)O[C@H](CC#CCS(=O)(=O)c1ccccc1)Cn1ccnc1[N+](=O)[O-] ZINC000026579808 GD Annotated Mild NCC(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl ZINC000026639338 GD Annotated Bother O=C(Nc1ccc(F)cc1F)Nn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21 ZINC000026642554 GD Annotated Bother CCOC(=O)CNC(=O)c1nc(O)c2cc3cc(OC)c(OC)cc3nc2n1 ZINC000026648422 GD Annotated Bother CC(=O)Nc1ccc([C@@H](O)CN2CCN(c3ccc(O)nn3)CC2)cc1Cl ZINC000026654003 GD Annotated Anodyne CC(=O)Nc1ccc([C@H](O)CN2CCN(c3ccc(O)nn3)CC2)cc1Cl ZINC000026654007 GD Annotated Anodyne COC(=O)N1c2ccccc2[C@]23[C@H]4N5CCC[C@]46CC[C@]12[C@@H](O)[C@@H]6C(=O)[C@H]3C5 ZINC000026666427 GD Annotated Anodyne Cc1c(O)c2[nH]c(CCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O ZINC000026716907 GD Annotated Anodyne CC(=O)NCCc1nc(-c2ncc(C(=O)NCCC[S+](C)C)s2)cs1 ZINC000026716927 GD Annotated Mild COc1cc(C)cc2c1C(=O)c1c(O)cc(CN(CCO)CCO)cc1C2=O ZINC000026725382 GD Annotated Clean Cn1ncc2c(c1=O)SCCCN2C(=O)CCNCCOc1ccccc1 ZINC000026725442 GD Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@H]12 ZINC000026725457 GD Annotated Anodyne COCC(=O)N(c1ccccc1F)[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026729358 GD Annotated Anodyne COCC(=O)N(c1ccccc1F)[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026729362 GD Annotated Anodyne COCC(=O)N(c1ccccc1OC)[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026732648 GD Annotated Anodyne COCC(=O)N(c1ccccc1OC)[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026732652 GD Annotated Anodyne CO[C@@H](C)C(=O)N(c1ccccc1F)[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026735408 GD Annotated Anodyne CO[C@H](C)C(=O)N(c1ccccc1F)[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026735413 GD Annotated Anodyne CO[C@@H](C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026735417 GD Annotated Anodyne CO[C@H](C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026735421 GD Annotated Anodyne O=C(O)CCC(=O)N1CCC[C@@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12 ZINC000026739901 GD Annotated Anodyne O=C(O)CCC(=O)N1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12 ZINC000026739905 GD Annotated Anodyne C[S@@](=O)c1ccccc1-n1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21 ZINC000026743474 GD Annotated Anodyne C[S@](=O)c1ccccc1-n1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21 ZINC000026743479 GD Annotated Anodyne Cc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N3CCOCC3)cc1)[n+]2C ZINC000026824246 GD Annotated Mild Cn1c(COc2ccc(/C=N/NC3=NCCCN3)cc2)[n+](C)c2ccccc21 ZINC000026825215 GD Annotated Mild Cc1ccc2n(c1)cc(COc1ccc(/C=N/NC3=NCCCN3)cc1)[n+]2C ZINC000026827935 GD Annotated Mild CN1CCN(C(=N)N/N=C/c2ccc(-c3cn4ccccc4[n+]3C)cc2)CC1 ZINC000026828223 GD Annotated Mild Cc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)NN3CCOCC3)cc1)[n+]2C ZINC000026829469 GD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@H](CN(C)C)C3)c(F)c2)C(=O)O1 ZINC000026830642 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@@H](CN(C)C)C3)c(F)c2)C(=O)O1 ZINC000026830645 GD Annotated Anodyne C[n+]1c(-c2ccc(/C=N/NC(=N)NN3CCOCC3)cc2)cn2ccccc21 ZINC000026831548 GD Annotated Mild COc1ccc(-c2cc(C(=O)O)c(=O)n3cc(F)c(N4CC[C@@H](N)C4)nc23)cc1 ZINC000026831832 GD Annotated Anodyne COc1ccc(-c2cc(C(=O)O)c(=O)n3cc(F)c(N4CC[C@H](N)C4)nc23)cc1 ZINC000026831836 GD Annotated Anodyne COC(=O)c1cc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)no1 ZINC000026832039 GD Annotated Anodyne Cc1ccn2cc(-c3ccc(/C=N/NC(=N)N4CCN(C)CC4)cc3)[n+](C)c2c1 ZINC000026832258 GD Annotated Mild Cc1ccn2cc(-c3ccc(/C=N/NC(=N)N4CCOCC4)cc3)[n+](C)c2c1 ZINC000026832262 GD Annotated Mild Cc1cccc2n1cc(COc1ccc(/C=N/NC3=NCCCN3)cc1)[n+]2C ZINC000026832383 GD Annotated Mild CCS(=O)(=O)c1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N)cc1)[n+]2C ZINC000026834111 GD Annotated Mild Cc1ccn2cc(-c3ccc(/C=N/NC(=N)NN4CCOCC4)cc3)[n+](C)c2c1 ZINC000026835164 GD Annotated Mild CCOC(=O)[C@@H]1CC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)=NO1 ZINC000026835524 GD Annotated Anodyne CCOC(=O)[C@H]1CC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)=NO1 ZINC000026835527 GD Annotated Anodyne O=c1n([C@H]2CO[C@@H](CO)O2)cc(F)c2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000026838995 GD Annotated Bother O=c1n([C@H]2CO[C@H](CO)O2)cc(F)c2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000026838999 GD Annotated Bother COc1cc(CC2=C(O)[C@@](C)(C(=O)NC3CC3)OC2=O)cc(OC)c1OC ZINC000026839193 GD Annotated Anodyne COc1cc(CC2=C(O)[C@](C)(C(=O)NC3CC3)OC2=O)cc(OC)c1OC ZINC000026839197 GD Annotated Anodyne CC(C)COC(=O)OCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1 ZINC000026841517 GD Annotated Anodyne Cn1c(CO[P@@](N)(=O)N(CCCl)CCCl)nc2c1C(=O)C=CC2=O ZINC000026845632 GD Annotated Reactive O=C1CNCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CNCC1=N2 ZINC000026948458 GD Annotated Mild C[C@H]1COc2c(N3C[C@H]4CCCN[C@H]4C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000026951628 GD Annotated Anodyne O=C1NCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCNC1=O)N2 ZINC000026958822 GD Annotated Anodyne CN1CC2=C(C1=O)C(c1ccc(F)c(Br)c1)C1=C(CN(C)C1=O)N2 ZINC000026958836 GD Annotated Anodyne CCN1c2nc(-c3ccccc3)c(Br)nc2C(N)=NS1(=O)=O ZINC000026978653 GD Annotated Anodyne CN1c2nc(-c3ccc(O)cc3)c(-c3ccccc3)nc2C(N)=NS1(=O)=O ZINC000026984551 GD Annotated Anodyne CCN(CC)CCCNCc1c[nH]c2nc(N3CC[C@@H](N)C3)c(F)cc2c1=O ZINC000026985826 GD Annotated Anodyne CCN(CC)CCCNCc1c[nH]c2nc(N3CC[C@H](N)C3)c(F)cc2c1=O ZINC000026985833 GD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@@H](O)CO)CC(=O)O1 ZINC000026987440 GD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@H](O)CO)CC(=O)O1 ZINC000026987448 GD Annotated Anodyne CCOc1nc2c(nc1-c1ccc(Cl)cc1)C(N)=NS(=O)(=O)N2CC ZINC000026991115 GD Annotated Anodyne C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(C=O)CC4)c(c32)S1 ZINC000027100643 GD Annotated Anodyne C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(C=O)CC4)c(c32)S1 ZINC000027100648 GD Annotated Anodyne O=C(O)CCCCCCn1cc(N(CCCl)CCCl)c(=O)[nH]c1=O ZINC000027109804 GD Annotated Reactive COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)=Nn1c(n[nH]c(=O)c1=O)C2 ZINC000027209187 GD Annotated Anodyne COc1cc(OCCCO/N=C(\N)NC(=N)NC(C)C)cc(OC)c1OC ZINC000027306523 GD Annotated Mild COc1cc2c(cc1OC(C)=O)N[C@H](OC)[C@@H]1C[C@H](OC(C)=O)CN1C2=O ZINC000027307553 GD Annotated Anodyne COc1cc2c(cc1OC(C)=O)N[C@H](OC)[C@@H]1C[C@@H](OC(C)=O)CN1C2=O ZINC000027307558 GD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCCO)CC(=O)O1 ZINC000027308546 GD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCCO)CC(=O)O1 ZINC000027308549 GD Annotated Anodyne C[C@H](O)C[S@@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000027309327 GD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)C[C@@H](C)O)CC(=O)O1 ZINC000027310029 GD Annotated Anodyne O=C1CCC(=O)N1C[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027311631 GD Annotated Anodyne O=C(CCl)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027315867 GD Annotated Reactive CNC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027316573 GD Annotated Anodyne Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2cccnc2)c1 ZINC000027320208 GD Annotated Mild O=C[n+]1cccn1-c1cc2c(cc1Cl)N[C@@H](C(=O)O)n1nc(C(=O)O)cc1-2 ZINC000027327864 GD Annotated Clean O=C[n+]1cccn1-c1cc2c(cc1Cl)N[C@H](C(=O)O)n1nc(C(=O)O)cc1-2 ZINC000027327869 GD Annotated Clean CC(C)OP(=O)(CO[C@H](CO)Cn1nc2ncnc(N)c2n1)OC(C)C ZINC000027406585 GD Annotated Anodyne COCc1nnc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)s1 ZINC000027415006 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(CC#N)s3)c(F)c2)C(=O)O1 ZINC000027415351 GD Annotated Mild CC(=O)NNC[C@H]1CN(c2ccc(OCCN3CCCCC3)c(F)c2)C(=O)O1 ZINC000027419511 GD Annotated Reactive CNCc1nnc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)s1 ZINC000027420309 GD Annotated Anodyne Cc1no[n+]([O-])c1OC[C@H]1CN(c2ccc(C3=CCOCC3)c(F)c2)C(=O)O1 ZINC000027420569 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3=O)c(F)c2)C(=O)O1 ZINC000027423763 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3Cc4ncccc4C3=O)c(F)c2)C(=O)O1 ZINC000027423766 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C(=O)c4ccncc4C3=O)c(F)c2)C(=O)O1 ZINC000027424312 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C(=O)c4cccnc4C3=O)c(F)c2)C(=O)O1 ZINC000027424316 GD Annotated Anodyne COc1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)c(OC)c1 ZINC000027424785 GD Annotated Anodyne COc1ccc(OC)c(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)c1 ZINC000027430464 GD Annotated Anodyne CCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000027432258 GD Annotated Clean CCO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000027432261 GD Annotated Clean CCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000027432265 GD Annotated Clean N=C(N/N=C\c1cn2cc(/C=N/NC(=N)N3CCCC3)ccc2n1)N1CCCC1 ZINC000027433153 GD Annotated Mild CCNC(=O)N/N=C(\c1ccc(N)cc1)c1cc2c(cc1CC(=O)OC)OCO2 ZINC000027517720 GD Annotated Reactive CCOC(=O)Cc1cc2c(cc1/C(=N/NC(=O)NC)c1ccc(N)cc1)OCO2 ZINC000027517968 GD Annotated Reactive C[C@]12CC(=O)[C@@H]3[C@@H](CCC(=O)[C@]3(C)C(=O)O)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000027519799 GD Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC(=O)[C@]3(C)C(=O)O)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000027519800 GD Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@H](CCC(=O)[C@]3(C)C(=O)O)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000027519801 GD Annotated Anodyne CCc1cnc(/C=C(\C)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)o1 ZINC000027523880 GD Annotated Anodyne CC(=O)Nc1ccc(CN2[C@@]3(CC(O)=NC3=O)c3ccccc3S2(=O)=O)cc1 ZINC000027523932 GD Annotated Anodyne CC(=O)Nc1ccc(CN2[C@]3(CC(O)=NC3=O)c3ccccc3S2(=O)=O)cc1 ZINC000027523933 GD Annotated Anodyne C/C(=C\c1ncc(C=O)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027524020 GD Annotated Anodyne N#Cc1cc2c(nc1N1CCOCC1)sc1c(N3CCSCC3)nnnc12 ZINC000027524348 GD Annotated Mild CCCC(=O)NN1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027524624 GD Annotated Anodyne CCCC(=O)NN1N[C@@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027524935 GD Annotated Anodyne CCCC(=O)NN1N[C@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027524936 GD Annotated Anodyne C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(CCO)CC4)cc3n21 ZINC000027525193 GD Annotated Anodyne C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(CCO)CC4)cc3n21 ZINC000027525194 GD Annotated Anodyne O=C1CCCC[C@H]1CCCCO[C@@H]1C[C@H](O)C[C@@H](O)[C@H]1OS(=O)(=O)O ZINC000027525764 GD Annotated Anodyne O=C1CCCC[C@@H]1CCCCO[C@@H]1C[C@H](O)C[C@@H](O)[C@H]1OS(=O)(=O)O ZINC000027525766 GD Annotated Anodyne O=P(O)(O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCc1ccccc1O ZINC000027527010 GD Annotated Anodyne CN1Cc2c(-c3noc([C@@](C)(O)CO)n3)ncn2-c2cccc(Cl)c2C1=O ZINC000027549122 GD Annotated Anodyne CN1Cc2c(-c3noc([C@](C)(O)CO)n3)ncn2-c2cccc(Cl)c2C1=O ZINC000027549126 GD Annotated Anodyne O=C(NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1ccsc1 ZINC000027550058 GD Annotated Anodyne CN1C(=O)[C@H](C(=O)/C=C/c2ccccc2)[C@H](NCCN2CCCCC2)N(C)C1=O ZINC000027554751 GD Annotated Mild CN1C(=O)[C@H](C(=O)/C=C/c2ccccc2)[C@@H](NCCN2CCCCC2)N(C)C1=O ZINC000027554753 GD Annotated Mild CN1C(=O)[C@@H](C(=O)/C=C/c2ccccc2)[C@H](NCCN2CCCCC2)N(C)C1=O ZINC000027554755 GD Annotated Mild CN1C(=O)[C@@H](C(=O)/C=C/c2ccccc2)[C@@H](NCCN2CCCCC2)N(C)C1=O ZINC000027554757 GD Annotated Mild O=C(Cc1ccccc1)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12 ZINC000027555237 GD Annotated Anodyne O=C(Cc1ccsc1)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12 ZINC000027555916 GD Annotated Anodyne Cc1c(F)c(N2CC[C@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2C(C)(C)CF ZINC000027560120 GD Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1 ZINC000027560206 GD Annotated Anodyne COc1ccccc1SC[C@@H]1SCCN1C(=O)CN1CCN(C)CC1 ZINC000027561896 GD Annotated Anodyne COc1ccccc1SC[C@H]1SCCN1C(=O)CN1CCN(C)CC1 ZINC000027561898 GD Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](N)CO ZINC000027564317 GD Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccncc1-2 ZINC000027629994 GD Annotated Clean CCCC(=O)N1C[C@H](N(C)CC(=O)O)C[C@@H]1C(=O)Oc1ccccc1C(=O)O ZINC000027632931 GD Annotated Anodyne CCCC(=O)N1C[C@H](N(C)CC(=O)O)C[C@H]1C(=O)Oc1ccccc1C(=O)O ZINC000027632937 GD Annotated Anodyne NCCn1nc2c3c(c(NCCN4CCOCC4)ccc31)C(=O)c1ccncc1-2 ZINC000027634420 GD Annotated Clean CN(C)c1ccc(CN2CCN(c3n[nH]c(N)n3)CC2)cc1Br ZINC000027647400 GD Annotated Clean CC(=O)OCCOn1cnc2c(Cl)nc(I)nc21 ZINC000027649457 GD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1/C(=N/O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000027651433 GD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1/C(=N/O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000027651437 GD Annotated Mild COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC=O)c1cc(=O)c(OC)ccc12 ZINC000027718989 GD Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC=O)c1cc(=O)c(OC)ccc12 ZINC000027718996 GD Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC=O)c1cc(=O)c(OC)ccc12 ZINC000027719003 GD Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC=O)c1cc(=O)c(OC)ccc12 ZINC000027719010 GD Annotated Anodyne COc1ccc(C#CC(=O)NCCCC/N=C(\N)NCC=C(C)C)cc1OC ZINC000027732134 GD Annotated Mild COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@@H](C)N1CCOCC1)C3 ZINC000027737276 GD Annotated Anodyne COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@H](C)N1CCOCC1)C3 ZINC000027737281 GD Annotated Anodyne C[C@H]1C(CN2C(=O)c3cccc4cccc2c34)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000027744074 GD Annotated Anodyne O=C(O)[C@@H]1CCCCN1Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1Br ZINC000027760017 GD Annotated Anodyne O=C(O)[C@H]1CCCCN1Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1Br ZINC000027760025 GD Annotated Anodyne COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@@H](O)CN)c3nc12 ZINC000027854249 GD Annotated Clean COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@H](O)CN)c3nc12 ZINC000027854256 GD Annotated Clean OC[C@@H](O)CN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1 ZINC000027856938 GD Annotated Clean OC[C@H](O)CN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1 ZINC000027856946 GD Annotated Clean C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(c3)c3ccc[n+](C)c3n4C)C[C@H]12 ZINC000027860289 GD Annotated Anodyne CN(C(=O)CNC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000027863832 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4[nH]c5c[n+](C)ccc5c4c3)C[C@H]12 ZINC000027865790 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2[C@H](C(=O)O)[C@H](c3ccc4c(c3)c3ccncc3n4C)C[C@H]12 ZINC000027865932 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)c3ccncc3n4C)C[C@H]12 ZINC000027865939 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2[C@@H]1C[C@@H](c1ccc3c(c1)c1ccncc1n3C)[C@@H]2C(=O)O ZINC000027865942 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2[C@@H]1C[C@H](c1ccc3c(c1)c1ccncc1n3C)[C@@H]2C(=O)O ZINC000027865945 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(c3)c3cc[n+](C)cc3n4C)C[C@H]12 ZINC000027878896 GD Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ncnn2)CC1 ZINC000027896926 GD Annotated Anodyne CCNCCNc1ccc(NCCNCC)c2c1C(=O)c1ccncc1C2=O ZINC000027899669 GD Annotated Clean O=C1c2ccncc2C(=O)c2c(NCCN3CC3)ccc(NCCN3CC3)c21 ZINC000027901495 GD Annotated Clean O=c1cnn(-c2ccc(I)c(C(F)(F)F)c2)c(=O)[nH]1 ZINC000027980726 GD Annotated Anodyne CNC(=O)OCc1c2c(n3c1[C@@H](OC(C)=O)CC3)C(=O)C(Cl)=C(OC)C2=O ZINC000027989956 GD Annotated Mild CNC(=O)OCc1c2c(n3c1[C@H](OC(C)=O)CC3)C(=O)C(Cl)=C(OC)C2=O ZINC000027989958 GD Annotated Mild COC(=O)[C@@H](CCO[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2)NC(=O)[C@@H](N)CC(=O)O ZINC000028005037 GD Annotated Anodyne COC(=O)[C@H](CCO[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2)NC(=O)[C@@H](N)CC(=O)O ZINC000028005042 GD Annotated Anodyne COC(=O)[C@@H](CCO[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2)NC(=O)[C@@H](N)CC(=O)O ZINC000028005046 GD Annotated Anodyne COC(=O)[C@H](CCO[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2)NC(=O)[C@@H](N)CC(=O)O ZINC000028005051 GD Annotated Anodyne COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3c[nH]c4ccccc34)[nH]c2=O)cc1OC ZINC000028011590 GD Annotated Anodyne CNC(=O)OCc1c2c(n3c1[C@@H](OC(C)=O)CC3)C(=O)C(C)=C(OC)C2=O ZINC000028011763 GD Annotated Mild CNC(=O)OCc1c2c(n3c1[C@H](OC(C)=O)CC3)C(=O)C(C)=C(OC)C2=O ZINC000028011768 GD Annotated Mild COC(=O)CN1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S ZINC000028013586 GD Annotated Clean COc1ccc2c(c1)C(O)=C(C(=O)Nc1ncc(C)s1)N(C)S2(=O)=O ZINC000028013827 GD Annotated Anodyne COC(=O)c1ccn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1 ZINC000028016779 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(OC(C)=O)n3)c(F)c2)C(=O)O1 ZINC000028085799 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cccc(C[n+]4ccccc4N)c3)C[C@H]12 ZINC000028087518 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc(NC(C)=O)cn3)c(F)c2)C(=O)O1 ZINC000028089384 GD Annotated Anodyne N=C1N(C2CCCCC2)CCN1S(=O)(=O)c1ccc(CCNC=O)cc1 ZINC000028094536 GD Annotated Anodyne CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028096520 GD Annotated Anodyne CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3NC(=O)Cc1ccncc1 ZINC000028097691 GD Annotated Mild CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@H]3NC(=O)Cc1ccncc1 ZINC000028097695 GD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(NC(C)=O)n3)c(F)c2)C(=O)O1 ZINC000028101893 GD Annotated Anodyne COc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ncc(C)s1)=C2O ZINC000028104234 GD Annotated Anodyne CCn1c(=O)/c(=C2\C=Cc3ccccc3N2C)s/c1=C\c1cccc[n+]1C ZINC000028108216 GD Annotated Anodyne COC1COc2ccccc2CNCCNCCNCc2ccccc2OC1 ZINC000028108927 GD Annotated Anodyne CCOC(=O)COC(=O)c1c(CC)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000028116461 GD Annotated Anodyne CCN(CC)CCN1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028118763 GD Annotated Mild CCN(CC)CCN1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028118770 GD Annotated Mild Cc1c(SC2CCCCC2)n(COCN(CC#N)CC#N)c(=O)[nH]c1=O ZINC000028120475 GD Annotated Mild C=CCONC(=O)c1nn(S(=O)(=O)NCCCC)c2c1ccc1[nH]ncc12 ZINC000028126917 GD Annotated Mild Nc1cc2c(cc1C[C@@H]1COC(=O)[C@H]1Cc1cc3c(cc1N)OCO3)OCO2 ZINC000028128628 GD Annotated Anodyne Cc1c(SC2CCCCC2)n(COCNC(=O)CCCl)c(=O)[nH]c1=O ZINC000028129461 GD Annotated Reactive COc1ccncc1Oc1ccc(N2C(=O)CC[C@]23C(=O)NC(=O)N=C3O)cc1 ZINC000028132849 GD Annotated Anodyne CNC(=O)O[C@@H]1CCn2c3c(c(COC(N)=O)c21)C(=O)C(OC)=C(C)C3=O ZINC000028219951 GD Annotated Mild CNC(=O)O[C@H]1CCn2c3c(c(COC(N)=O)c21)C(=O)C(OC)=C(C)C3=O ZINC000028219956 GD Annotated Mild O=C1NC(=O)[C@H](c2cc(Cl)ccc2S(=O)(=O)NCc2ccccc2)N1 ZINC000028224563 GD Annotated Anodyne O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)NCc2ccccc2)N1 ZINC000028224567 GD Annotated Anodyne O=C1O[C@@H](n2cc(F)c(=O)n([C@@H]3OC(=O)c4ccccc43)c2=O)c2ccccc21 ZINC000028232528 GD Annotated Anodyne O=C1O[C@H](n2cc(F)c(=O)n([C@@H]3OC(=O)c4ccccc43)c2=O)c2ccccc21 ZINC000028232531 GD Annotated Anodyne O=C1O[C@H](n2c(=O)c(F)cn([C@@H]3OC(=O)c4ccccc43)c2=O)c2ccccc21 ZINC000028232535 GD Annotated Anodyne O=C1O[C@H](n2cc(F)c(=O)n([C@H]3OC(=O)c4ccccc43)c2=O)c2ccccc21 ZINC000028232540 GD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(S(=O)(=O)N4CCCCC4)cc3C[C@@H]12 ZINC000028237562 GD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(S(=O)(=O)NC4CCCC4)cc3C[C@@H]12 ZINC000028241071 GD Annotated Anodyne CCC[C@@H]1C[C@@H](C(=O)N[C@@](C)(CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000028243865 GD Annotated Bother CCC[C@H]1C[C@@H](C(=O)N[C@@](C)(CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000028243873 GD Annotated Bother CCC[C@@H]1C[C@H](C(=O)N[C@@](C)(CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000028243881 GD Annotated Bother CCC[C@H]1C[C@H](C(=O)N[C@@](C)(CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000028243887 GD Annotated Bother CN(NC(=NCC(=O)O)NN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000028246052 GD Annotated Reactive Cc1cccc([C@@H](N)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(C(F)(F)F)CC[C@H]23)c1 ZINC000028255311 GD Annotated Anodyne Cc1ccc([C@@H](N)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(C(F)(F)F)CC[C@H]23)cc1 ZINC000028257387 GD Annotated Anodyne CC(C)(C)[C@]12C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](Cl)[C@]34[C@@]13COC(=O)[C@@H]3O)O2 ZINC000028263978 GD Annotated Reactive Cc1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H](O)[C@H]4O)[C@H]3C2=O)ccc1Br ZINC000028334137 GD Annotated Anodyne Cc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@@H](O)[C@H]4O)[C@H]3C2=O)ccc1Br ZINC000028334146 GD Annotated Anodyne CN1C(=O)[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)[C@H]21 ZINC000028347511 GD Annotated Bother CN1C(=O)[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)[C@H]21 ZINC000028347519 GD Annotated Bother Nc1nn2c(O)cc(CN[C@H](N)SCc3ccccc3)nc2c1[N+](=O)[O-] ZINC000028357267 GD Annotated Bother Nc1nn2c(O)cc(CN[C@@H](N)SCc3ccccc3)nc2c1[N+](=O)[O-] ZINC000028357276 GD Annotated Bother C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]1(C(N)=O)O[C@H]1[C@H](C)O)C(=O)OC ZINC000028376345 GD Annotated Mild C[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 ZINC000028455805 GD Annotated Anodyne C[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 ZINC000028455808 GD Annotated Anodyne O=S(=O)(c1ccccc1)c1c(OCCCc2ccc(O)cc2)no[n+]1[O-] ZINC000028459500 GD Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4ccccn4)CC3)c(F)c21 ZINC000028461538 GD Annotated Anodyne COc1ccc2c(c1)OC(=O)C[C@@H]2CC(=O)Nc1nc(CC(=O)NO)cs1 ZINC000028463897 GD Annotated Bother COc1ccc2c(c1)OC(=O)C[C@H]2CC(=O)Nc1nc(CC(=O)NO)cs1 ZINC000028463902 GD Annotated Bother COc1ccc2c(c1)[C@H](CC(=O)Nc1nc(CC(=O)NO)cs1)CC2=O ZINC000028464534 GD Annotated Bother COc1ccc2c(c1)[C@@H](CC(=O)Nc1nc(CC(=O)NO)cs1)CC2=O ZINC000028464539 GD Annotated Bother C=C(C)C(=O)O[C@@H]1/C=C(/C=O)[C@H](OC)CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000028465408 GD Annotated Reactive CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCC(=O)NO)n1 ZINC000028466834 GD Annotated Bother COc1cc(OC)c([N+](=O)[O-])cc1-c1nc2sccn2c1/C=N/N=C(N)N ZINC000028470070 GD Annotated Mild COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2n(c1/C=N/N=C(N)N)CCS2 ZINC000028471457 GD Annotated Mild COc1ccc(OC)c([N+](=O)[O-])c1-c1nc2n(c1/C=N/N=C(N)N)CCS2 ZINC000028474081 GD Annotated Mild COc1cc(-c2nc3sccn3c2/C=N/N=C(N)N)c([N+](=O)[O-])cc1OC ZINC000028474083 GD Annotated Mild COc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)O)cn(/C=C/F)c12 ZINC000028475091 GD Annotated Anodyne COc1ccc(OC)c([N+](=O)[O-])c1-c1nc2sccn2c1/C=N/N=C(N)N ZINC000028475136 GD Annotated Mild O=C1[C@@H]2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1 ZINC000028475410 GD Annotated Anodyne COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sccn2c1/C=N/N=C(N)N ZINC000028476212 GD Annotated Mild COc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)O)cn(/C=C\F)c12 ZINC000028476534 GD Annotated Anodyne Cc1ccc2occ(/C=N/c3ccc(S(=O)(=O)N=C(N)N)cc3)c(=O)c2c1 ZINC000028523910 GD Annotated Mild NC(=S)NC[C@H]1CN(c2ccc(-n3nnc4ccccc43)c(F)c2)C(=O)O1 ZINC000028525540 GD Annotated Anodyne CC(C)/N=C(/NC(=O)O)NC1=NC(=O)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000028527435 GD Annotated Mild CCNC(=O)N1CC[C@@]2(C1)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C ZINC000028529831 GD Annotated Anodyne CCNC(=O)N1CC[C@]2(C1)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C ZINC000028529833 GD Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)C=CC5=O)[C@]3(C2)[C@@H]1OC(C)=O ZINC000028536310 GD Annotated Mild in-vitro biogenic C[C@@H]1C(=O)O[C@@H]2C=C[C@]3(C)C(=O)O[C@H]4O[C@]5(c6ccoc6)C[C@@]1(O)[C@]2(C)[C@@]43O5 ZINC000028536614 GD Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2CC[C@]3(C)C(=O)O[C@H]4O[C@]5(c6ccoc6)C[C@@]1(O)[C@]2(C)[C@@]43O5 ZINC000028537299 GD Annotated Anodyne CCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCCO3 ZINC000028563159 GD Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2NCC2OCCO2)nc1 ZINC000028566274 GD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc([C@@H]3Cc4cc(O)c(O)cc4CN3)cc2)C(=O)O1 ZINC000028568989 GD Annotated Clean CC(=O)NC[C@H]1CN(c2ccc([C@H]3Cc4cc(O)c(O)cc4CN3)cc2)C(=O)O1 ZINC000028568990 GD Annotated Clean N#Cc1cnc(Nc2cc(N3CCN(CCN4CCCC4)CC3)ncn2)s1 ZINC000028570554 GD Annotated Mild CCOC(=O)[C@@H](C)S(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570671 GD Annotated Bother CCOC(=O)[C@H](C)S(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570672 GD Annotated Bother CN1CCN(c2cc3oc(N4CCN(C)CC4)c(C=O)c(=O)c3cc2F)CC1 ZINC000028571685 GD Annotated Anodyne CC(=O)OCCOCn1cnc2c(Cl)nc(I)nc21 ZINC000028636223 GD Annotated Anodyne CSCC[C@@H]1NC(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O ZINC000028636941 GD Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@@H](O)C[C@H](O)C(C)(C)[C@H]1[C@@H](O)C3 ZINC000028638252 GD Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](O)C3 ZINC000028638715 GD Annotated Mild in-vitro biogenic C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCN)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028644001 GD Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCN)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028644003 GD Annotated Mild O=C(Nc1ccn([C@@H]2CO[C@H](CO)O2)c(=O)n1)c1ccc(Br)cc1 ZINC000028644254 GD Annotated Anodyne O=C(Nc1ccn([C@@H]2CO[C@H](CO)O2)c(=O)n1)c1ccc(Cl)cc1Cl ZINC000028644456 GD Annotated Anodyne NCCOCCNc1nnc(NCCOCCN)c2cc3ccccc3cc12 ZINC000028647509 GD Annotated Bother OCCOCCNc1nnc(NCCOCCO)c2cc3ccccc3cc12 ZINC000028647511 GD Annotated Bother CCOC(=O)CSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)o1 ZINC000028647620 GD Annotated Anodyne CC[C@@H](CO)N1CCN([C@@H](CC)CO)C1OS(=O)(=O)c1ccc(C)cc1 ZINC000028648376 GD Annotated Mild CC[C@@H](CO)N1CCN([C@H](CC)CO)C1OS(=O)(=O)c1ccc(C)cc1 ZINC000028648380 GD Annotated Mild O=c1c2ccccc2n2c(CN3CCOCC3)nnc2n1Cc1ccccc1 ZINC000028648715 GD Annotated Anodyne CCOC(=O)CS(=O)(=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000028649016 GD Annotated Anodyne CCOC(=O)[C@@H](N)Cc1c[nH]c2c(O)c3c(c(O)c12)C(=O)c1ccccc1C3=O ZINC000028649283 GD Annotated Clean CCOC(=O)[C@H](N)Cc1c[nH]c2c(O)c3c(c(O)c12)C(=O)c1ccccc1C3=O ZINC000028649287 GD Annotated Clean [O-][n+]1nc2c(Br)cnn2c2cc(I)ccc21 ZINC000028649494 GD Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(Br)ccc21 ZINC000028649507 GD Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(OCC3CC3)ccc21 ZINC000028649559 GD Annotated Anodyne COCCOc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000028649562 GD Annotated Anodyne CN(C)CCOc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000028649566 GD Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(OCCCl)ccc21 ZINC000028649570 GD Annotated Reactive CC(C)[C@H](NC(=O)CCCCCO[P@](=O)(O)OCC[N+](C)(C)C)C(N)=O ZINC000028651130 GD Annotated Bother C=CCNC(=S)N/N=C1\C(=O)N(CN2CCCCC2)c2ccc(F)cc21 ZINC000028651484 GD Annotated Mild CCCCNC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(F)cc21 ZINC000028651487 GD Annotated Mild CC(=O)OC[C@H]1O[C@H](OC(C)C)C=C([C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000028656169 GD Annotated Mild CC(=O)OC[C@H]1O[C@H](OC(C)C)C=C([C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000028656235 GD Annotated Bother COc1cc2c(cc1OC)C(=O)C[C@H](CN1CCC3(CC1)NC(=O)N=C3O)C2 ZINC000028701610 GD Annotated Anodyne COc1cc2c(cc1OC)C(=O)C[C@@H](CN1CCC3(CC1)NC(=O)N=C3O)C2 ZINC000028701612 GD Annotated Anodyne COCCOCCOCCOc1ccc(O)c(C2=N[C@@](C)(C(=O)O)CS2)c1 ZINC000028701752 GD Annotated Anodyne COCCOCCOCCOc1cccc(C2=N[C@@](C)(C(=O)O)CS2)c1O ZINC000028701754 GD Annotated Anodyne in-man CC1(C)O[C@H]2[C@@H](O1)[C@@H](CSc1ncnc3nc[nH]c13)O[C@@H]1OC(C)(C)O[C@H]21 ZINC000028707934 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCC(C)(O)CC3)c(F)c2)C(=O)O1 ZINC000028708300 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C(=O)/C=C/c3nccn3C)c(F)c2)C(=O)O1 ZINC000028709409 GD Annotated Mild CCCC#Cc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cn1 ZINC000028710412 GD Annotated Mild CCCCNc1nc(NCCO)nc2c(NCCCC)nc(NCCO)nc12 ZINC000028710653 GD Annotated Anodyne CC(C)CNc1nc(NCCO)nc2c(NCC(C)C)nc(NCCO)nc12 ZINC000028710655 GD Annotated Anodyne CC(C)(C)Nc1nc(NCCO)nc2c(NC(C)(C)C)nc(NCCO)nc12 ZINC000028710657 GD Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc([C@H](O)CO)nc2)c(F)c1 ZINC000028711440 GD Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc([C@@H](O)CO)nc2)c(F)c1 ZINC000028711441 GD Annotated Anodyne CCOC(=O)CC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O ZINC000028712236 GD Annotated Anodyne COc1ccc(Cc2nnc3sc(-c4cc(O)[nH]c(=O)c4)nn23)cc1OC ZINC000028712870 GD Annotated Anodyne Nc1nc(Cl)c2ncn(C[C@H](NC(=O)Nc3ccccc3)C(=O)O)c2n1 ZINC000028713617 GD Annotated Anodyne O=c1c2ccccc2nc2n(Cc3ccccc3)c(CN3CCOCC3)nn12 ZINC000028713690 GD Annotated Anodyne CCN1C(=O)c2c(nc(C(N)=O)n2Cc2ccc(O)cc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028756266 GD Annotated Anodyne O=C1c2ccccc2-c2nn(CCO)c3ccc(NCCN4CCOCC4)c1c23 ZINC000028757062 GD Annotated Clean CN(C)CCn1nc2c3c(c(NCCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028757557 GD Annotated Clean CN(C)CCn1nc2c3c(c(NCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028757558 GD Annotated Clean CN(C)CCNc1ccc2c3c(nn2CCO)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028757893 GD Annotated Clean CN(C)CCNc1ccc2c3c(nn2CCNCCO)-c2ccccc2C(=O)c13 ZINC000028758541 GD Annotated Clean CN(C)CCCn1nc2c3c(c(NCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028758728 GD Annotated Clean CC(C)N1CC2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761335 GD Annotated Anodyne CC(C)N1CC2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761337 GD Annotated Anodyne CC(C)N1CC2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761339 GD Annotated Anodyne CC(C)N1CC2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761341 GD Annotated Anodyne CCCN1CC2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761439 GD Annotated Anodyne CCCN1CC2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761441 GD Annotated Anodyne CCCN1CC2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761443 GD Annotated Anodyne CCCN1CC2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028761445 GD Annotated Anodyne O=c1cnn(-c2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)cc2)c(=O)[nH]1 ZINC000028764137 GD Annotated Anodyne CN1c2ccccc2N(C(=O)CN2CCOCC2)c2ccccc2S1(=O)=O ZINC000028765592 GD Annotated Anodyne C[n+]1ccn(CCN(Cc2ccccc2)S(=O)(=O)C(F)(F)F)c1/C=N/O ZINC000028768186 GD Annotated Mild CC(=O)NCCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000028769813 GD Annotated Clean CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC#N ZINC000028816926 GD Annotated Reactive Cn1nnnc1Sc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F ZINC000028819229 GD Annotated Anodyne CCCCCCN(CCCCCC)S[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O ZINC000028821321 GD Annotated Anodyne OC[C@@H](O)[C@@H]1O[C@@H](SN(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H]1O ZINC000028821322 GD Annotated Anodyne Cc1nnc(C(=O)[C@@H]2CCCN2C(=O)CNC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)o1 ZINC000028823387 GD Annotated Anodyne NCc1cc2oc1CNC(=O)c1ccc(o1)CNC(=O)c1ccc(o1)CNC2=O ZINC000028824980 GD Annotated Anodyne O=C1c2c(O)c(O)c(Br)c(=O)n2CCN1Cc1ccc(F)cc1 ZINC000028825275 GD Annotated Anodyne CCCCOC(=O)/C=C/c1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000028862609 GD Annotated Anodyne CCCCOC(=O)/C=C/c1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000028862611 GD Annotated Anodyne CCCCOC(=O)/C=C/c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000028862638 GD Annotated Anodyne CCCCOC(=O)/C=C/c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000028862640 GD Annotated Anodyne O=C(O)c1cn(C2CC2)c2nc(N3CCSCC3)c([N+](=O)[O-])cc2c1=O ZINC000028867981 GD Annotated Bother C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@@H](C)O1 ZINC000028867992 GD Annotated Bother C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@@H](C)O1 ZINC000028867995 GD Annotated Bother C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@H](C)O1 ZINC000028867999 GD Annotated Bother CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)NCCO[N+](=O)[O-])O2 ZINC000028876935 GD Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)NCCO[N+](=O)[O-])O2 ZINC000028876940 GD Annotated Anodyne NC[C@@H]1CCN(c2c(Cl)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2Cl)C1 ZINC000028884632 GD Annotated Anodyne NC[C@H]1CCN(c2c(Cl)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2Cl)C1 ZINC000028884637 GD Annotated Anodyne Cc1c(F)c(N2CC[C@@H]([C@H](C)N)C2)c(C)c2c1c(=O)n(N)c(=O)n2C1CC1 ZINC000028884652 GD Annotated Anodyne CN[C@H]1CCN(c2c(F)cc3c(=O)n(NC)c(=O)n(C4CC4)c3c2Cl)C1 ZINC000028884691 GD Annotated Anodyne O=C(O)c1sc(Br)c(Br)c1OC[C@H](O)CO ZINC000028886777 GD Annotated Anodyne O=C(O)c1sc(Br)c(Br)c1OC[C@@H](O)CO ZINC000028886781 GD Annotated Anodyne O=C(O)COc1c(-c2nnn[nH]2)sc(Br)c1Br ZINC000028887002 GD Annotated Anodyne O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@@H](Cc2ccccc2)CN1 ZINC000028894197 GD Annotated Anodyne C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21 ZINC000028899565 GD Annotated Anodyne C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21 ZINC000028899570 GD Annotated Anodyne C[C@H](NC(=O)Cc1ccsc1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21 ZINC000028899693 GD Annotated Anodyne C[C@H](NC(=O)Cc1ccsc1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21 ZINC000028899697 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NCCN)n[nH]c2-3)C(=O)O1 ZINC000028950258 GD Annotated Anodyne CN1C(NNC(=O)c2ccc([N+](=O)[O-])o2)=NS(=O)(=O)c2cc(Cl)ccc21 ZINC000028951293 GD Annotated Reactive CCc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CCCOC)S(C)(=O)=O)c1Cl ZINC000028954125 GD Annotated Anodyne COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1O)[C@@H](O)[C@H]2O ZINC000028954129 GD Annotated Anodyne COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1O)[C@H](O)[C@H]2O ZINC000028954131 GD Annotated Anodyne Cc1cc(CN2C[C@H](N)[C@H](C(=O)[C@@H]3CCC[C@H]3C#N)C2)ccc1-n1cncn1 ZINC000028955159 GD Annotated Mild Cc1cc(CN2C[C@H](N)[C@H](C(=O)[C@H]3CCC[C@H]3C#N)C2)ccc1-n1cncn1 ZINC000028955162 GD Annotated Mild Cc1cc(-n2cncn2)ccc1CN1C[C@H](N)[C@H](C(=O)[C@@H]2CCC[C@H]2C#N)C1 ZINC000028955165 GD Annotated Mild Cc1cc(-n2cncn2)ccc1CN1C[C@H](N)[C@H](C(=O)[C@H]2CCC[C@H]2C#N)C1 ZINC000028955168 GD Annotated Mild O=C1N=C(O)[C@@]2(CNC(=O)N2c2ccc(Oc3ccc(F)cc3)nc2)C(=O)N1 ZINC000028960299 GD Annotated Anodyne CN1C[C@@]2(C(=O)NC(=O)N=C2O)N(c2ccc(Oc3ccc(F)cc3)nc2)C1=O ZINC000028960327 GD Annotated Anodyne C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@H]12)[C@@H](O)CO ZINC000028972305 GD Annotated Mild C=C(CCO)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC[C@@H](C=O)[C@H]2[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000028972321 GD Annotated Mild C=C(CCO)C(=O)O[C@H]1C[C@]2(C)[C@H]([C@H](C=O)CC[C@H]2O)[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000028972325 GD Annotated Mild C=C(CCO)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC[C@H](C=O)[C@H]2[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000028972329 GD Annotated Mild C=C(CCO)C(=O)O[C@H]1C[C@]2(C)[C@H]([C@@H](C=O)CC[C@H]2O)[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000028972335 GD Annotated Mild Cc1ccc(Oc2ccc(N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc2)cc1 ZINC000029039687 GD Annotated Bother O=C(O)CN1C(=O)CN(/N=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)C1=O ZINC000029043971 GD Annotated Mild COc1cc2c(=O)n(CCO)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 ZINC000029044834 GD Annotated Bother CNC(=O)c1cc(F)ccc1CNC(=O)c1nc(C(C)(C)C)[nH]c(=O)c1O ZINC000029048045 GD Annotated Anodyne COc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2F)ccc1O ZINC000029056915 GD Annotated Anodyne CCNC(=O)Nc1cc2c(cc1Cl)nc(O)n1nc(C(=O)O)c(C(=O)O)c21 ZINC000029061240 GD Annotated Anodyne CCOC(=O)C[S@@](=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000029123330 GD Annotated Anodyne CCOC(=O)C[S@](=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000029123331 GD Annotated Anodyne Cc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)cc1 ZINC000029127450 GD Annotated Bother Cc1ccc(C#Cc2ccc(N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc2)cc1 ZINC000029127551 GD Annotated Mild Cc1ccc(Oc2ccc(N(C[C@@](C)(O)C(=O)NO)S(C)(=O)=O)cc2)cc1 ZINC000029128089 GD Annotated Bother Cc1ccc(Oc2ccc(N(C[C@](C)(O)C(=O)NO)S(C)(=O)=O)cc2)cc1 ZINC000029128090 GD Annotated Bother Cc1ccc(Oc2ccc(N(C[C@@H](O)C(=O)NO)S(C)(=O)=O)cc2)cc1 ZINC000029128138 GD Annotated Bother COC(=O)c1nnn([C@H]2C[C@H]3C=Nc4ccccc4C(=O)N3C2)c1C(=O)OC ZINC000029128984 GD Annotated Anodyne Cc1nc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)sc1C ZINC000029130672 GD Annotated Anodyne Cc1nn2c(/C=N/N=C(N)N)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1 ZINC000029133141 GD Annotated Mild CC(C)(CC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)Oc1ccccc1C(=O)O ZINC000029133234 GD Annotated Anodyne CC(C)(CC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)Oc1ccccc1C(=O)O ZINC000029133235 GD Annotated Anodyne CC(C)(C)O[C@@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O ZINC000029210066 GD Annotated Reactive CC(C)(C)O[C@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O ZINC000029210071 GD Annotated Reactive CC(=O)N(O)CCCCCN(O)C(=O)[C@H]1CSC(c2ncccc2O)=N1 ZINC000029214221 GD Annotated Anodyne O=C1[C@@H]2CCCCN2C(=O)N1CN1CCN(c2cccc3c2COC=CO3)CC1 ZINC000029219802 GD Annotated Anodyne O=C1[C@H]2CCCCN2C(=O)N1CN1CCN(c2cccc3c2COC=CO3)CC1 ZINC000029219807 GD Annotated Anodyne CCCCS(=O)(=O)Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O ZINC000029240816 GD Annotated Mild O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccccc3)cccc21 ZINC000029241406 GD Annotated Mild O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)CCCCl)cccc21 ZINC000029242150 GD Annotated Reactive CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)[C@@H]2[C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N12 ZINC000029254103 GD Annotated Bother CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)[C@H]2[C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N12 ZINC000029254109 GD Annotated Bother CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)[C@@H]2[C@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N12 ZINC000029254115 GD Annotated Bother CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)[C@H]2[C@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N12 ZINC000029254121 GD Annotated Bother COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OC[C@@H](C)C(=O)N1 ZINC000029312960 GD Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OC[C@H](C)C(=O)N1 ZINC000029320020 GD Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)OCC(=O)N[C@H](c1nc(C)no1)CSC2 ZINC000029320083 GD Annotated Anodyne COc1cccc2c1C(=O)c1c(OC)cc(CN(CCO)CCO)cc1C2=O ZINC000029338625 GD Annotated Clean Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)NCCc1ccc(Br)cc1 ZINC000029338833 GD Annotated Anodyne COC(=O)[C@@H](NC(=O)[C@@H](C)/C=C/[C@@H](C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C ZINC000029345308 GD Annotated Anodyne CO[C@@H]1OC(C(=O)NCCC[S+](C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029345373 GD Annotated Mild CO[C@H]1OC(C(=O)NCCC[S+](C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029345376 GD Annotated Mild CO[C@@H]1OC(C(=O)NCCCCN(C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029347256 GD Annotated Mild CO[C@H]1OC(C(=O)NCCCCN(C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029347259 GD Annotated Mild Cc1nn(C)c(NC(=O)CNCCCN(C)C)c1C(=O)c1ccccc1F ZINC000029395841 GD Annotated Anodyne CN1CCN(c2c(F)c(O)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 ZINC000029397096 GD Annotated Anodyne O=C(O)C[C@@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000029398935 GD Annotated Bother O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000029398938 GD Annotated Bother CCOC(=O)/C=C/c1cc(CN2CCN(C(=O)OCC)CC2)cc(C(N)=O)c1 ZINC000029402393 GD Annotated Anodyne O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(Cl)c21 ZINC000029403172 GD Annotated Clean O=C(O)C[C@@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000029403315 GD Annotated Bother O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000029403318 GD Annotated Bother CC1(C)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H]2CCCO2)[C@@]2(C)CC[C@@H]1C2 ZINC000029405115 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H]1CCCO1 ZINC000029405118 GD Annotated Anodyne CCOC(=O)/C=C/c1cc(CN2CCN(c3ncccn3)CC2)cc(C(N)=O)c1 ZINC000029406882 GD Annotated Anodyne CCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)n2nc(C)cc2C)cc1 ZINC000029407214 GD Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c2cnc[nH]2)[C@@]2(C)CC[C@@H]1C2 ZINC000029407331 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1cnc[nH]1 ZINC000029407334 GD Annotated Anodyne O=C(CCCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1 ZINC000029409333 GD Annotated Bother O=C(CCCCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1 ZINC000029411417 GD Annotated Bother N=C(N)Nc1nc(CCCCC(=N)NNS(=O)(=O)c2ccccc2)cs1 ZINC000029470866 GD Annotated Anodyne NC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)c2ccccc2)cs1 ZINC000029476341 GD Annotated Mild NC(N)=Nc1nc(CSCC/C(N)=N/S(=O)(=O)c2ccccc2)cs1 ZINC000029476745 GD Annotated Mild NC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)c2ccc(N)cc2)cs1 ZINC000029478090 GD Annotated Mild NS(=O)(=O)c1cc2cc(C(=O)NCCN3CCSCC3)sc2s1 ZINC000029481046 GD Annotated Anodyne COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=Nn1c(n[nH]c1=O)C2 ZINC000029488652 GD Annotated Bother Cc1c(Sc2ccccc2)n(COCCN2CCOCC2)c(=O)[nH]c1=O ZINC000029489755 GD Annotated Anodyne CNC(=O)OCc1c2c(n(C)c1COC(=O)NC)C(=O)C(C)=C(OC)C2=O ZINC000029544172 GD Annotated Mild Cc1c(Sc2ccccc2)n(COCCN(CC#N)CC#N)c(=O)[nH]c1=O ZINC000029544876 GD Annotated Mild CNC(=O)OCc1c2c(n(C)c1[C@@H](C)OC(C)=O)C(=O)C(C)=C(OC)C2=O ZINC000029545321 GD Annotated Mild CNC(=O)OCc1c2c(n(C)c1[C@H](C)OC(C)=O)C(=O)C(C)=C(OC)C2=O ZINC000029545323 GD Annotated Mild COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)=Nn1c(n[nH]c1=O)C2 ZINC000029545813 GD Annotated Bother CC1=C(NCc2ccco2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]1N[C@@H]31 ZINC000029546025 GD Annotated Mild CC1=C(NCc2ccco2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1N[C@H]31 ZINC000029546028 GD Annotated Mild CCCCC(=O)CC(=O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029552498 GD Annotated Anodyne C[C@@H](SC(=O)c1cccs1)C(=O)NCC(=O)N1CSC[C@@H]1C(=O)O ZINC000029557724 GD Annotated Anodyne COC(=O)c1nc(C(=O)OC)c(N)c(-c2ccc(OC)c(OC)c2O)c1C ZINC000029563911 GD Annotated Anodyne C#C[C@@H](CC(=O)O)NC(=O)CN(C(=O)c1cccc(C2CCNCC2)c1)C1CC1 ZINC000029567837 GD Annotated Mild C#C[C@H](CC(=O)O)NC(=O)CN(C(=O)c1cccc(C2CCNCC2)c1)C1CC1 ZINC000029567841 GD Annotated Mild CCc1c(C)nc(O)c(NC(=O)CNC(=O)CN)c1Cc1cc(C)cc(C)c1 ZINC000029567953 GD Annotated Anodyne CCOCC[C@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC ZINC000029568722 GD Annotated Anodyne CCOCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC ZINC000029568725 GD Annotated Anodyne C#C[C@H](CC(=O)O)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccnc(N)c1)C2 ZINC000029569060 GD Annotated Mild CCOCCN(CCOCC)[C@@H](COC)C(=O)Oc1c(OC)cccc1OC ZINC000029569766 GD Annotated Anodyne CCOCCN(CCOCC)[C@H](COC)C(=O)Oc1c(OC)cccc1OC ZINC000029569769 GD Annotated Anodyne CS(=O)(=O)c1ccc2sc(NC(=O)c3csc(N=C(N)N)n3)nc2c1 ZINC000029569842 GD Annotated Mild COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000029570747 GD Annotated Mild COc1cc2nc(NC(=O)c3csc(N=C(N)N)n3)sc2cc1OC ZINC000029570852 GD Annotated Mild OC[C@@H]1O[C@H](O)[C@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@H]1O ZINC000299804777 GD Annotated Bother CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)c1ccco1 ZINC000299804801 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@H](N)CC(=O)O)c1ccco1 ZINC000299804802 GD Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@H](CSc4cccc(Cl)c4)[C@@H](O)[C@H]3O)cnc1-2 ZINC000299810795 GD Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@H](CSc4cccc(Cl)c4)[C@H](O)[C@H]3O)cnc1-2 ZINC000299810796 GD Annotated Anodyne C/C=C1\C[N@@+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@H]1O ZINC000299811249 GD Annotated Bother C/C=C1\C[N@+]2([O-])[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 ZINC000299811250 GD Annotated Bother C/C=C1\C[N@@+]2([O-])[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 ZINC000299811251 GD Annotated Bother C/C=C1\C[N@+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@H]1O ZINC000299811252 GD Annotated Bother C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000299813604 GD Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000299813605 GD Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000299813606 GD Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000299813607 GD Annotated Mild COc1ccc(N2C(=O)[C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1 ZINC000299814096 GD Annotated Anodyne CO[C@@H]1[C@H](OC)CC[C@H]2[C@@H]([C@@H]3C4=C(CCN3C)CC3=C(C4)OCO3)OC(=O)[C@@H]12 ZINC000299814145 GD Annotated Anodyne CO[C@@H]1CC[C@H]2[C@@H]([C@@H]3C4=C(CCN3C)CC3=C(C4)OCO3)OC(=O)[C@H]2[C@H]1OC ZINC000299814147 GD Annotated Anodyne CO[C@@H]1CC[C@H]2[C@@H]([C@@H]3C4=C(CCN3C)CC3=C(C4)OCO3)OC(=O)[C@@H]2[C@H]1OC ZINC000299814149 GD Annotated Anodyne COc1ccc(OC)c(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)c1 ZINC000299815139 GD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@@]4(C(=O)OC)[C@H](O)O2 ZINC000299815888 GD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@@]4(C(=O)OC)[C@@H](O)O2 ZINC000299815889 GD Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc([N+](=O)[O-])c2)nc1O ZINC000299816351 GD Annotated Bother CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccc([N+](=O)[O-])cc2)nc1O ZINC000299816599 GD Annotated Bother CCOc1cccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)c1 ZINC000299816635 GD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)c2c(n[nH]c2O)C[C@]1(O)OCC ZINC000299816669 GD Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2c(n[nH]c2O)C[C@]1(O)OCC ZINC000299816670 GD Annotated Anodyne COC[C@@H]1O[C@H](N2C(=O)NC(=O)[C@@H]3C=C4CCCCC4=C[C@@H]32)[C@H](OC)[C@@H]1OC ZINC000299816708 GD Annotated Anodyne COC[C@@H]1O[C@H](N2C(=O)NC(=O)[C@@H]3C=C4CCCCC4=C[C@@H]32)[C@@H](OC)[C@H]1OC ZINC000299816709 GD Annotated Anodyne COC[C@@H]1O[C@H](N2C(=O)NC(=O)[C@@H]3C=C4CCCCC4=C[C@@H]32)[C@H](OC)[C@H]1OC ZINC000299816710 GD Annotated Anodyne COc1cc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)cc(OC)c1 ZINC000299816744 GD Annotated Anodyne COc1ccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)cc1OC ZINC000299816749 GD Annotated Anodyne COc1cccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)c1OC ZINC000299816762 GD Annotated Anodyne COC(=O)C1=CO[C@@H]2O[C@@H]3/C(=C\c4ccc(O)c(OC)c4)C(=O)O[C@]34C=C[C@H]1[C@@H]24 ZINC000299816825 GD Annotated Anodyne COC(=O)C1=CO[C@@H]2O[C@@H]3/C(=C\c4ccc(O)c(OC)c4)C(=O)O[C@]34C=C[C@H]1[C@H]24 ZINC000299816826 GD Annotated Anodyne COc1cccc(OC)c1C=c1nc(O)c(=Cc2nc[nH]c2C(C)(C)C)nc1O ZINC000299816874 GD Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccccc2[N+](=O)[O-])nc1O ZINC000299816877 GD Annotated Bother O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000299818739 GD Annotated Anodyne Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)ccc21 ZINC000299818832 GD Annotated Bother Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)ccc21 ZINC000299818839 GD Annotated Bother COC(=O)[C@@]1(O)C(=O)c2c(O)ccc(O)c2C12Oc1cccc3cccc(c13)O2 ZINC000299818896 GD Annotated Anodyne CN1C(=O)C([C@@H]2C3=C(CCCC3=O)Oc3ccc([N+](=O)[O-])cc32)C(=O)N(C)C1=O ZINC000299819587 GD Annotated Mild CN1C(=O)C([C@H]2C3=C(CCCC3=O)Oc3ccc([N+](=O)[O-])cc32)C(=O)N(C)C1=O ZINC000299819588 GD Annotated Mild O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cccc2c1=O ZINC000299819954 GD Annotated Bother O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cccc2c1=O ZINC000299819957 GD Annotated Bother O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cc(F)cc2c1=O ZINC000299821351 GD Annotated Bother O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cc(F)cc2c1=O ZINC000299821352 GD Annotated Bother O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN3C[C@@H]4C[C@H]3CN4)c1c2O ZINC000299821401 GD Annotated Clean N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCC[C@H]3c3nnn[nH]3)n2)cc1 ZINC000299821595 GD Annotated Mild N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCC[C@@H]3c3nnn[nH]3)n2)cc1 ZINC000299821600 GD Annotated Mild O=S(=O)(NC1CCN(Cc2ccncc2)CC1)c1ccc(-n2cccn2)cn1 ZINC000299822319 GD Annotated Anodyne Cn1cc([C@@H]2C=NN3C(N)=C(Br)C([C@@H]4CCCNC4)=N[C@@H]23)cn1 ZINC000299822461 GD Annotated Anodyne Cn1cc([C@H]2C=NN3C(N)=C(Br)C([C@@H]4CCCNC4)=N[C@H]23)cn1 ZINC000299822465 GD Annotated Anodyne Cn1cc([C@@H]2C=NN3C(N)=C(Br)C([C@@H]4CCCNC4)=N[C@H]23)cn1 ZINC000299822470 GD Annotated Anodyne Cn1cc([C@H]2C=NN3C(N)=C(Br)C([C@@H]4CCCNC4)=N[C@@H]23)cn1 ZINC000299822474 GD Annotated Anodyne CCC[C@H]1O[C@H](CC(N)=O)C[C@]23O[C@]12C(=O)c1c(O)cc(OC)cc1C3=O ZINC000299822809 GD Annotated Clean COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCCCN(C)C ZINC000299823153 GD Annotated Anodyne Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@@H](O)Cn1c([N+](=O)[O-])cnc1C ZINC000299825523 GD Annotated Bother Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@H](O)Cn1c([N+](=O)[O-])cnc1C ZINC000299825528 GD Annotated Bother O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(F)cc2c1=O ZINC000299825703 GD Annotated Bother O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(F)cc2c1=O ZINC000299825707 GD Annotated Bother Cc1ccc(-n2c(S)nnc2Cn2nc(Cc3cccs3)n(N)c2=O)cc1 ZINC000299825861 GD Annotated Anodyne O=C1C=C(NCCCBr)C(=O)C=C1NCCCBr ZINC000299825990 GD Annotated Reactive Nn1c(Cc2cccs2)nn(Cc2nnc(S)n2-c2ccccc2)c1=O ZINC000299827178 GD Annotated Anodyne O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000299828017 GD Annotated Bother Oc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)c(O)c1 ZINC000299830842 GD Annotated Mild CC1(C)OC[C@H]([C@H]2O[P@](=O)(c3ccccc3)[C@H](N)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000299830902 GD Annotated Anodyne COc1cc(/C=C/C(=O)[C@]2(CCN3CCOCC3)CCOC2=O)ccc1O ZINC000299831654 GD Annotated Mild COc1cc(/C=C/C(=O)[C@@]2(CCN3CCOCC3)CCOC2=O)ccc1O ZINC000299831657 GD Annotated Mild COC(=O)CCCNC(=O)CSC1=C(OC)C(=O)c2ccccc2C1=O ZINC000299833859 GD Annotated Mild CC1(C)OC[C@H]([C@H]2O[P@](=O)(c3ccccc3)[C@H](O)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000299836156 GD Annotated Anodyne C[C@H](CBr)n1c(=O)c2ccccc2n1CC(=O)N1CCOCC1 ZINC000299836198 GD Annotated Reactive C[C@@H](CBr)n1c(=O)c2ccccc2n1CC(=O)N1CCOCC1 ZINC000299836199 GD Annotated Reactive CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@]1(Cl)C4=C(CC[C@]31C)C(=O)OC4)C2=O ZINC000299836636 GD Annotated Anodyne COc1cc(NC(=S)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc(OC)c1OC ZINC000299837139 GD Annotated Reactive O=C(c1ccccc1)c1cccc(C=c2nc(O)c(=Cc3ncccn3)nc2O)c1 ZINC000299837266 GD Annotated Anodyne COC(=O)CCCNC(=O)CSC1=CC(=O)c2cccc(OC)c2C1=O ZINC000299838729 GD Annotated Mild COC(=O)[C@@H](NC(=O)CSC1=C(OC)C(=O)c2ccccc2C1=O)C(C)C ZINC000299839474 GD Annotated Mild Cc1[nH]cnc1C=c1nc(O)c(=Cc2cccc(C(=O)c3ccccc3)c2)nc1O ZINC000299839820 GD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@]1(F)C4=C(CC[C@]31C)C(=O)OC4)C2=O ZINC000299840092 GD Annotated Anodyne COc1c(S(=O)(=O)N(C)C)cc(S(=O)(=O)N(C)C)c2ccc(C)nc12 ZINC000299840194 GD Annotated Anodyne O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cc(Cl)c(Cl)s2)n1 ZINC000299840638 GD Annotated Bother C=CCNc1nc2cc(-c3cccc(C(=O)NCCO)c3)sc2c(=O)n1C ZINC000299841326 GD Annotated Mild CC(C)CN1CCS(=O)(=O)[C@H]2CCN(S(=O)(=O)CC(C)C)CC[C@H]21 ZINC000299841717 GD Annotated Anodyne Cc1ccc(CN2C[C@@H]3[C@@H](C2)[C@H](C(=O)N2CCCC2)CCS3(=O)=O)cc1 ZINC000299842013 GD Annotated Anodyne CC(C)[C@@H](N)CC(=O)Nc1nc(-c2cnc(N3CCOCC3)nc2)cs1 ZINC000299842402 GD Annotated Anodyne CCOC(=O)[C@@]12CCCN(Cc3nccs3)C[C@@H]1CN(S(C)(=O)=O)C2 ZINC000299842477 GD Annotated Anodyne CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000299842556 GD Annotated Anodyne Cc1ccc(CN2C[C@@H]3[C@@H](C2)[C@H](C(=O)NCC2CC2)CCS3(=O)=O)cc1 ZINC000299842776 GD Annotated Anodyne CCN1CC[C@]2(C(=O)N(C)C)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000299843046 GD Annotated Anodyne Cc1cccc(CN2CCS(=O)(=O)[C@H]3CCN(C(=O)C4CC4)CC[C@H]32)n1 ZINC000299843805 GD Annotated Anodyne Cn1c2ccc(NC3=NCCN3)cc2c(=O)c2ccc(NC3=NCCN3)cc21 ZINC000299844552 GD Annotated Bother Cn1c2ccc(NC3=NCCN3)cc2c(=O)c2cc(NC3=NCCN3)ccc21 ZINC000299844632 GD Annotated Bother N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@H]1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000299846113 GD Annotated Reactive CCS(=O)(=O)OCCN1[C@@H](OO)CCO[P@]1(=O)N(C)CCCl ZINC000299846941 GD Annotated Reactive CCS(=O)(=O)OCCN1[C@H](OO)CCO[P@]1(=O)N(C)CCCl ZINC000299846942 GD Annotated Reactive CCN(CCCl)[P@@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O ZINC000299847029 GD Annotated Reactive CCN(CCCl)[P@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O ZINC000299847031 GD Annotated Reactive CCS(=O)(=O)OCCN(C)[P@@]1(=O)OCC[C@H](OO)N1CCCl ZINC000299847076 GD Annotated Reactive CCS(=O)(=O)OCCN(C)[P@]1(=O)OCC[C@H](OO)N1CCCl ZINC000299847077 GD Annotated Reactive NCC[C@H]1CN([C@H]2N=C3c4c(O)cccc4C(=O)c4cccc(c43)O2)CCO1 ZINC000299847281 GD Annotated Clean O=[N+]([O-])C1=C2N(C[C@@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)CN(CCO)C1 ZINC000299847722 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](O)C[C@H]4C(C)(C)CC[C@@H](O)[C@]4(C)[C@H]2C[C@@H](OC(C)=O)[C@H]1[C@H]3O ZINC000299849084 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H](O)C[C@@H]4C(C)(C)CC[C@@H](O)[C@]4(C)[C@@H]2C[C@@H](OC(C)=O)[C@H]1[C@H]3O ZINC000299849086 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H](O)C[C@@H]4C(C)(C)CC[C@@H](O)[C@]4(C)[C@H]2C[C@@H](OC(C)=O)[C@H]1[C@H]3O ZINC000299849087 GD Annotated Mild CS(=O)(=O)NCc1cc(-c2cc(F)cc(F)c2)nc(N2CC[C@H](O)C2)n1 ZINC000299849420 GD Annotated Anodyne CS(=O)(=O)NCc1cc(-c2cc(F)cc(F)c2)nc(N2CCOCC2)n1 ZINC000299849427 GD Annotated Anodyne C[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n(CC(F)(F)F)n1 ZINC000299849449 GD Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)Nc1nc(-c2cnc(N3CCOCC3)nc2)cs1 ZINC000299849458 GD Annotated Anodyne O=C(c1ccc(Cl)s1)N1CC[C@@]2(COc3ncccc3S(=O)(=O)N2)C1 ZINC000299850208 GD Annotated Anodyne O=C(c1ccc(Cl)s1)N1CC[C@]2(COc3ncccc3S(=O)(=O)N2)C1 ZINC000299850209 GD Annotated Anodyne O=C(c1ccc(Cl)s1)N1CC[C@]2(CNS(=O)(=O)c3cnccc3O2)C1 ZINC000299850292 GD Annotated Anodyne O=C(c1ccc(Cl)s1)N1CC[C@@]2(CNS(=O)(=O)c3cnccc3O2)C1 ZINC000299850293 GD Annotated Anodyne CC(C)(C)c1cc(CN[C@H]2C[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)cc(C(C)(C)C)c1O ZINC000299852232 GD Annotated Anodyne O=[N+]([O-])C1=CC([N+](=O)[O-])=C(Sc2nc3ccccc3s2)C2=[N+]([O-])ON[C@@H]12 ZINC000299854667 GD Annotated Anodyne O=[N+]([O-])C1=CC([N+](=O)[O-])=C(Sc2nc3ccccc3s2)C2=[N+]([O-])ON[C@H]12 ZINC000299854670 GD Annotated Anodyne O=[N+]([O-])C1=CC([N+](=O)[O-])=C(Nc2nc3ccccc3s2)C2=[N+]([O-])ON[C@H]12 ZINC000299854784 GD Annotated Anodyne O=[N+]([O-])C1=CC([N+](=O)[O-])=C(Nc2nc3ccccc3s2)C2=[N+]([O-])ON[C@@H]12 ZINC000299854785 GD Annotated Anodyne C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2cccc(F)c2)c1=O ZINC000299855093 GD Annotated Mild C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2ccccc2OC)c1=O ZINC000299855454 GD Annotated Mild C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2ccccc2F)c1=O ZINC000299858415 GD Annotated Mild CCCc1nn(C)c(C(N)=O)c1NC(=O)c1cc(OC)c(OC)cc1OC ZINC000299859101 GD Annotated Anodyne Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)NCc3ccccc3)c2=O)c1 ZINC000299859377 GD Annotated Anodyne COc1cccc2[nH]c(-c3nc(N[C@@H]4CCOC[C@@H]4N)cnc3C(N)=O)cc12 ZINC000299859398 GD Annotated Anodyne CC(C)CN1C(=O)C(C(=O)c2ccc(O)c(O)c2)C(=O)N(CC(C)C)C1=O ZINC000299859468 GD Annotated Clean Cc1ccc2nc(NC3=C([N+](=O)[O-])C=C([N+](=O)[O-])[C@H]4NO[N+]([O-])=C34)sc2c1 ZINC000299861417 GD Annotated Anodyne Cc1ccc2nc(NC3=C([N+](=O)[O-])C=C([N+](=O)[O-])[C@@H]4NO[N+]([O-])=C34)sc2c1 ZINC000299861418 GD Annotated Anodyne CCOC(=O)[C@]1(NC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1(C)C ZINC000299862164 GD Annotated Anodyne CCOC(=O)[C@@]1(NC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1(C)C ZINC000299862166 GD Annotated Anodyne CCOC(=O)[C@@]1(NC(=O)NCCNS(=O)(=O)c2cccs2)CC1(C)C ZINC000299862914 GD Annotated Anodyne CCOC(=O)[C@]1(NC(=O)NCCNS(=O)(=O)c2cccs2)CC1(C)C ZINC000299862916 GD Annotated Anodyne O=C(N[C@H](CO)CCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1 ZINC000299863199 GD Annotated Clean CO[C@@H]1CN(c2ccccc2)S(=O)(=O)[C@@]12CCN(Cc1cncs1)C2 ZINC000299864552 GD Annotated Anodyne CN1CCC(N2CCN(Cc3ccc4nsnc4c3)C[C@H]2CCO)CC1 ZINC000299872929 GD Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299873593 GD Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299873594 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)c2cnccn2)C1 ZINC000299874290 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)c2cnccn2)C1 ZINC000299874291 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)c2cnccn2)C1 ZINC000299874292 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2ccco2)C1 ZINC000299874759 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(C)=O)C2)N(C(=O)c2ccco2)C1 ZINC000299874760 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c2cccnc2SC)C1 ZINC000299876540 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c2cccnc2SC)C1 ZINC000299876541 GD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@H]1[C@H]2O ZINC000299877503 GD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@@H]5[C@H]6O)[C@@H](C[C@@H]23)[C@@H]14 ZINC000299877504 GD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@@H]5[C@@H]6O)[C@@H](C[C@@H]23)[C@@H]14 ZINC000299877505 GD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2O ZINC000299877506 GD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299877817 GD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299877818 GD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299879394 GD Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299879411 GD Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299879412 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)Cc2ccccc2OC)C1 ZINC000299879529 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)Cc2ccccc2OC)C1 ZINC000299879530 GD Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000299880246 GD Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000299880247 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)Cc2ccccc2OC)C1 ZINC000299880313 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)Cc2ccccc2OC)C1 ZINC000299880314 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)c2cnccn2)C1 ZINC000299881991 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)c2cnccn2)C1 ZINC000299881992 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)c2cnccn2)C1 ZINC000299881993 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c2cccnc2SC)C1 ZINC000299886054 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c2cccnc2SC)C1 ZINC000299886055 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2cnccn2)C1 ZINC000299887246 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2cnccn2)C1 ZINC000299887247 GD Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000299887600 GD Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000299887601 GD Annotated Anodyne O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCC2(CC1)OCCO2 ZINC000003006008 GD Annotated Anodyne Cc1cc(C)n2nc(S[C@@H](C)C(=O)N3CCC4(CC3)OCCO4)nc2n1 ZINC000003042489 GD Annotated Anodyne Cc1cc(C)n2nc(S[C@H](C)C(=O)N3CCC4(CC3)OCCO4)nc2n1 ZINC000003042491 GD Annotated Anodyne O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000003048276 GD Annotated Anodyne Cc1c(C(=O)N/N=C/c2c(O)ccc3ccccc23)nnn1-c1nonc1N ZINC000003098388 GD Annotated Reactive COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3ccc(O)c(C(=O)O)c3O[C@@H]1CO2 ZINC000003197505 GD Annotated Anodyne in-vitro Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/NC(=O)Cn2nnnc2N)o1 ZINC000003206246 GD Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NC2CCCC2)c1 ZINC000003278008 GD Annotated Anodyne CN(C(=O)CO/N=C/c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000003284792 GD Annotated Mild CN(C(=O)CO/N=C/c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003284794 GD Annotated Mild NC(=S)N/N=C/c1cn(CCC(=O)O)nc1-c1cccc(Br)c1 ZINC000003308140 GD Annotated Mild Cc1cc(NC(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2N)no1 ZINC000003324909 GD Annotated Anodyne Cc1cc(NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2N)no1 ZINC000003324911 GD Annotated Anodyne O=C(NC(=S)Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccccc1 ZINC000003335026 GD Annotated Anodyne O=C(CN1NS(=O)(=O)c2ccccc2C1=O)Nc1ccccc1OC(F)F ZINC000003399976 GD Annotated Anodyne Cc1ccccc1-n1c(C)nnc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000003424579 GD Annotated Anodyne CCCN(C(=O)CN1C(=O)NC2(CCCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000003439697 GD Annotated Anodyne C[C@@H]1CC(=O)C2=C(C1)[C@@H](Cl)[C@@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000031158888 GD Annotated Reactive C[C@H]1CC(=O)C2=C(C1)[C@@H](Cl)[C@@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000031158893 GD Annotated Reactive C=C1[C@@H]2O[C@@H]2[C@H]2O[C@]2(C)C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]1O ZINC000031159681 GD Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@]23O[C@@H]2C[C@H](O)[C@H](C)[C@@]13C ZINC000031163642 GD Annotated Anodyne CC1=C2[C@@H](OC(=O)CC(C)C)[C@]3(C)[C@@H](C)[C@@H](O)C[C@H]4O[C@]43C[C@@]2(O)OC1=O ZINC000031163649 GD Annotated Anodyne CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@H]1CC(=O)c2c(cc3ccc(C)c(O)c3c2O)C1 ZINC000031262526 GD Annotated Anodyne COc1c2c(cc3c1[C@@]1(CO)Cc4ccc5c(c4CN1CC3)OCO5)OCO2 ZINC000031418200 GD Annotated Anodyne CCOc1ccc2c(c1)[n+](=O)c(S(=O)(=O)c1ccc(C)cc1)c(N)n2O ZINC000031818342 GD Annotated Anodyne CC1(C)CNC(=O)[C@@]2(/C=N/C(C)(C)CNC(=O)[C@]3(/C=N/1)CCCO3)CCCO2 ZINC000031851321 GD Annotated Anodyne COC(=O)c1cncc2c1C[C@H]1[C@@]3(C(=O)OC)C=N[C@H]([C@H]4C(CO)=CC[C@H]43)[C@@]21C ZINC000031870635 GD Annotated Anodyne COC(=O)c1cncc2c1C[C@@H]1[C@@]3(C(=O)OC)C=N[C@H]([C@H]4C(CO)=CC[C@H]43)[C@@]21C ZINC000031870636 GD Annotated Anodyne COC(=O)c1cncc2c1C[C@@H]1[C@]2(C)[C@@H]2N=C[C@@]1(C(=O)OC)[C@@H]1CC=C(CO)[C@H]21 ZINC000031870637 GD Annotated Anodyne COC(=O)c1cncc2c1C[C@H]1[C@]2(C)[C@@H]2N=C[C@@]1(C(=O)OC)[C@@H]1CC=C(CO)[C@H]21 ZINC000031870638 GD Annotated Anodyne Cc1ccc(/C=N/NS(=O)(=O)c2ccc(/C=C3\NC(=O)NC3=O)cc2)cc1 ZINC000031871282 GD Annotated Mild O=C(O)C[C@H]1N[C@@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O ZINC000031871887 GD Annotated Anodyne O=C(O)CC[C@H]1N[C@@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O ZINC000031871927 GD Annotated Anodyne C=CCOc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1OC ZINC000031896560 GD Annotated Mild C=CCOc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1OC ZINC000031896564 GD Annotated Mild COC[C@@H]1O[C@H](N2C(=O)NC(=O)[C@@H]3C=C4CCCCC4=C[C@@H]32)[C@@H](OC)[C@@H]1OC ZINC000031897254 GD Annotated Anodyne COC[C@H]1O[C@H](N2C(=O)NC(=O)[C@@H]3C=C4CCCCC4=C[C@@H]32)[C@@H](OC)[C@@H]1OC ZINC000031897258 GD Annotated Anodyne O=C(NC[C@@H]1Nc2ccncc2S(=O)(=O)N1)c1ccc(Br)cc1 ZINC000031904971 GD Annotated Anodyne O=C(NC[C@H]1Nc2ccncc2S(=O)(=O)N1)c1ccc(Br)cc1 ZINC000031904972 GD Annotated Anodyne C=C1OC(=O)[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12 ZINC000031905197 GD Annotated Mild COC(=O)/N=c1\[nH]c2ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)OC)cc2[nH]1 ZINC000031909013 GD Annotated Anodyne CC[C@]1(O)C[C@@H](O)c2cc3c(c(O)c2[C@@H]1O)C(=O)c1c(O)ccc(O)c1C3=O ZINC000032275530 GD Annotated Clean C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)C2=C([C@H]3OC(=O)[C@@H](C)[C@H]13)[C@](C)(O)C[C@@H]2O ZINC000032303210 GD Annotated Anodyne in-vitro biogenic CCCS(=O)(=O)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000033037649 GD Annotated Anodyne CCOC(=O)/C(C#N)=c1\s/c(=C2/C=Cc3ccccc3N2CC)c(=O)n1CC ZINC000033305018 GD Annotated Mild Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccncc2)c1-c1ccccc1 ZINC000033335810 GD Annotated Reactive CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@@H]6O ZINC000033359816 GD Annotated Anodyne C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1CCCN1[C@H]2c1ccc(C(=N)N)cc1 ZINC000033360043 GD Annotated Bother Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccs2)c1-c1cccs1 ZINC000033372765 GD Annotated Reactive COc1ccccc1NCC(=O)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21 ZINC000033504670 GD Annotated Reactive Nc1c(F)c(N2CC[C@@H](N)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000033639575 GD Annotated Anodyne Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccs2)c1-c1ccccc1 ZINC000033658184 GD Annotated Reactive C=C1[C@@H]2CC[C@@H]3[C@H](O)[C@@]2(C[C@@H](OC(C)=O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000033753934 GD Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)(C(C)C)[C@@H](C)O)[C@H]12 ZINC000033821034 GD Annotated Anodyne CO[C@H](C(=O)[C@@H](O)[C@H](C)O)[C@H]1CC(=O)c2c(cc3ccc(C)c(O)c3c2O)C1 ZINC000033821282 GD Annotated Anodyne CC(=O)O[C@]1(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC(=O)CN1[N+](=O)[O-] ZINC000033829466 GD Annotated Bother CC(=O)O[C@@]1(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC(=O)CN1[N+](=O)[O-] ZINC000033829467 GD Annotated Bother C=C1C(=O)[C@@]23C[C@H](O)[C@@H]4C(C)(C)[C@@H](O)CC[C@@]4(C)[C@@H]2[C@H](OC(C)=O)[C@H](O)[C@@H]1C3 ZINC000033829876 GD Annotated Mild in-vitro biogenic COc1c2c(cc3c1[C@@]1(CO)Cc4cc5c(cc4CN1CC3)OCO5)OCO2 ZINC000033829921 GD Annotated Anodyne in-vitro biogenic COc1c2c(cc3c1[C@]1(CO)Cc4cc5c(cc4CN1CC3)OCO5)OCO2 ZINC000033829922 GD Annotated Anodyne C=C1[C@@H](O)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](O)[C@@H]2OC(C)=O ZINC000033830538 GD Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(OC)cc([C@@H](O)[C@H](O)CO)cc3[C@@H]2CO)ccc1O ZINC000033831074 GD Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3c(OC)cc([C@@H](O)[C@H](O)CO)cc3[C@@H]2CO)ccc1O ZINC000033831075 GD Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000033833014 GD Annotated Mild in-vitro biogenic COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000033833016 GD Annotated Mild in-vitro COc1ccc(C[C@@]2(O)[C@@H](O)[C@H]2COC(=O)c2ccc(O)c(O)c2)cc1OC ZINC000033833783 GD Annotated Clean in-vitro biogenic CCN(CC)CC1=c2oc(=O)/c(=C3/Nc4ccccc4N3C)cc2C=CC1=O ZINC000033911623 GD Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000033914445 GD Annotated Mild in-vitro C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2C(=O)OC(=C)[C@H]12)[C@H](O)CO ZINC000033917384 GD Annotated Anodyne C1CCN(c2nc(N/N=C3\CN4CCC3CC4)nc(N3CCCCC3)n2)CC1 ZINC000033919263 GD Annotated Mild CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)C/C=C/[C@H]1C)O2 ZINC000033943431 GD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H]2C=C[C@@H](O)[C@@H](COC(=O)C/C=C/[C@H]1C)O2 ZINC000033943432 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C ZINC000033954974 GD Annotated Anodyne CC1=C[C@H]2O[C@@H]3C[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)/C=C(\C)CCO)CC1 ZINC000033955004 GD Annotated Anodyne CC[N+](C)(CC)CCCN/C(O)=C1/C(=O)c2ccccc2S(=O)(=O)N1C ZINC000034015910 GD Annotated Mild O=C(O)C[C@H]1N[C@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O ZINC000034074267 GD Annotated Anodyne C[C@]1(COc2ccc(N3CCS(=O)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000034086763 GD Annotated Clean C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)(C(C)C)[C@@H](C)OC)[C@H]12 ZINC000034097729 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)OC)[C@H]12 ZINC000034097730 GD Annotated Anodyne CCCc1c(C(=O)NN/C=C2\C=Nc3ccccc32)nnn1-c1nonc1N ZINC000034105603 GD Annotated Reactive O=C(O)CC[C@H]1N[C@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O ZINC000034106374 GD Annotated Anodyne O=C1C[C@@H](n2nnn(-c3ccc(OC(F)(F)F)cc3)c2=S)[C@H]2CO[C@@H]1O2 ZINC000034118289 GD Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)/C=C\CN3CCCCC3)[C@@H]12 ZINC000034121891 GD Annotated Anodyne CCn1c(=O)n(C/C(O)=N/C[C@@H]2COc3ccccc3O2)c(=O)c2ccccc21 ZINC000034138883 GD Annotated Mild CCn1c(=O)n(C/C(O)=N/C[C@H]2COc3ccccc3O2)c(=O)c2ccccc21 ZINC000034138884 GD Annotated Mild CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)C/C=C\[C@H]1C)O2 ZINC000034148943 GD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H]2C=C[C@@H](O)[C@@H](COC(=O)C/C=C\[C@H]1C)O2 ZINC000034148980 GD Annotated Anodyne CCCc1c(O)n(Cc2ccccc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000034168909 GD Annotated Anodyne CCCc1c(O)n(Cc2ccc(F)cc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000034168910 GD Annotated Anodyne C=CCc1c(O)n(Cc2ccc(F)cc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000034168920 GD Annotated Mild C/C=C/Cc1c(O)n(Cc2ccccc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000034168924 GD Annotated Anodyne CCCc1c(O)n(Cc2cccs2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000034168930 GD Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@H](O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000034172010 GD Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000034172014 GD Annotated Mild C[C@@H]1C[C@]12C(=O)C1=C(C(=O)[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)[C@H]1OC=O ZINC000034182978 GD Annotated Mild CN(C)CCN1C(=O)CC[C@H](N2C(=O)c3cccc4cccc(c34)C2=O)C1=O ZINC000034339339 GD Annotated Anodyne CN(C)CCN1C(=O)CC[C@@H](N2C(=O)c3cccc4cccc(c34)C2=O)C1=O ZINC000034339340 GD Annotated Anodyne COc1ccccc1[C@H]1CN(c2nc(-c3ccncn3)cc(=O)n2C)CCO1 ZINC000034339351 GD Annotated Anodyne CO[C@@H]1CC(=O)c2cccc3c2[C@@]12Oc1ccc(O)c4c1[C@](O3)(O2)[C@@H]1O[C@@H]1[C@@H]4O ZINC000034383300 GD Annotated Anodyne COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3[C@]1(O)C2=O)OCO4 ZINC000034464197 GD Annotated Anodyne C/C=C(/C=O)[C@@H](CC(=O)OCCc1ccc(O)c(O)c1)[C@@H](C=O)C(=O)OC ZINC000034471702 GD Annotated Reactive C/C=C(/C=O)[C@H](CC(=O)OCCc1ccc(O)c(O)c1)[C@@H](C=O)C(=O)OC ZINC000034471703 GD Annotated Reactive C/C=C(/C=O)[C@@H](CC(=O)OCCc1ccc(O)c(O)c1)[C@H](C=O)C(=O)OC ZINC000034471704 GD Annotated Reactive C=C(C)[C@@H]1CC(O)=C(C(=O)OC)[C@H]2C(=O)[C@@H]3[C@@H]4C(=C[C@H]21)C(=O)O[C@@H]4C[C@]3(C)O ZINC000034547632 GD Annotated Mild C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1 ZINC000034600742 GD Annotated Anodyne CCCc1nn(C)c(C(N)=O)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000034612720 GD Annotated Anodyne Cc1cc(S(C)(=O)=O)cc2c(Nc3cccc(C#N)c3)c(C(N)=O)c(=O)[nH]c12 ZINC000034660916 GD Annotated Mild COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)[C@@H](O)[C@]23COC(=O)[C@H]13 ZINC000034746131 GD Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2 ZINC000034778391 GD Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C)CCC(=O)[C@@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2 ZINC000034778395 GD Annotated Anodyne N[C@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4ccc(F)cc4)C3)c[nH]c21 ZINC000034803661 GD Annotated Anodyne N[C@H]1NC=Nc2c(CN3C[C@H](CSc4ccc(F)cc4)[C@@H](O)C3)c[nH]c21 ZINC000034803666 GD Annotated Anodyne O=C(O)[C@H]1N[C@@H](c2cc(Cl)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000034855183 GD Annotated Clean O=C(O)[C@H]1N[C@H](c2cc(Cl)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000034855184 GD Annotated Clean Cc1nc(N2CCN(C)CC2)c2c(C)c(C(=O)NC[C@@H]3CCCO3)sc2n1 ZINC000034858526 GD Annotated Anodyne Cc1nc(N2CCN(C)CC2)c2c(C)c(C(=O)NC[C@H]3CCCO3)sc2n1 ZINC000034858527 GD Annotated Anodyne CCn1cc(/C(O)=N/CCN2CCOCC2)c2cc(OC)c(OC)cc2c1=O ZINC000034860329 GD Annotated Mild O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(C2CCCCC2)CC1 ZINC000034860998 GD Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc3ccccc3c2)[nH]c1=O ZINC000034986211 GD Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2c(F)cccc2Cl)[nH]c1=O ZINC000034986330 GD Annotated Anodyne CCOc1cccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1 ZINC000034987741 GD Annotated Anodyne Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(C[C@H](O)CO)no1 ZINC000003590192 GD Annotated Anodyne Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(C[C@@H](O)CO)no1 ZINC000003590194 GD Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccn2)CC1)c1c[nH]c2cccc(F)c12 ZINC000003591242 GD Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccncc2)CC1)c1c[nH]c2cccc(F)c12 ZINC000003591254 GD Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2cscn2)CC1)c1c[nH]c2cccc(F)c12 ZINC000003591256 GD Annotated Anodyne CC(=O)NCC(=O)N(C)[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000003614684 GD Annotated Anodyne CC(=O)NCC(=O)N(C)[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000003614686 GD Annotated Anodyne CC(=O)Nc1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1 ZINC000003626345 GD Annotated Anodyne CC(=O)Oc1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1 ZINC000003626349 GD Annotated Anodyne COC(=O)c1cn(NC(=O)[C@H]2COc3ccccc3O2)c(=O)c2ccccc12 ZINC000003630900 GD Annotated Anodyne COC(=O)c1cn(NC(=O)[C@@H]2COc3ccccc3O2)c(=O)c2ccccc12 ZINC000003630903 GD Annotated Anodyne CN(C)c1ccc(-c2nc(NCCCN3CCOCC3)[nH]c(=O)c2C#N)cc1 ZINC000003649564 GD Annotated Mild O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCN1CCCc2ccccc21 ZINC000003660573 GD Annotated Anodyne CCCCN(CC)CCNC(=O)CCS(=O)(=O)c1cccc2nonc12 ZINC000003665167 GD Annotated Anodyne CN(C)CCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000003665842 GD Annotated Anodyne CCN1CCc2c(sc(NC(=S)NC(=O)c3ccn(C)n3)c2C(N)=O)C1 ZINC000003669843 GD Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)CC1 ZINC000003781865 GD Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CC[C@@H](O)C5)c1c4n23 ZINC000003782316 GD Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CC[C@@H](N)C5)c1c4n23 ZINC000003782319 GD Annotated Anodyne O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccn12 ZINC000003786050 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(CN4CCSCC4)cc3)C[C@H]12 ZINC000003789112 GD Annotated Anodyne N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C(F)(F)F)CC[C@H]12)c1ccccc1 ZINC000003791518 GD Annotated Anodyne C[C@H](SC(=O)c1cccs1)C(=O)NCC(=O)N1CSC[C@H]1C(=O)O ZINC000003797357 GD Annotated Anodyne CCO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000003807956 GD Annotated Clean C[C@H]1C(COc2cccc3c2CCCC3=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000003824383 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(c3)c3c[n+](C)ccc3n4C)C[C@H]12 ZINC000003826286 GD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(c3)c3c(ccc[n+]3C)n4C)C[C@H]12 ZINC000003826287 GD Annotated Anodyne CN1Cc2cc(C(=O)NCCNc3ccccn3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000003827622 GD Annotated Anodyne CN(Cc1cccc(N)n1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000003827633 GD Annotated Anodyne COc1cc(F)ccc1[C@H]1CN(c2nc(-c3ccncn3)cc(=O)n2C)CCO1 ZINC000003842807 GD Annotated Anodyne COc1cc2c(C(=O)NCCN(C)C)cn(CC(C)C)c(=O)c2cc1OC ZINC000003896458 GD Annotated Anodyne Nc1nonc1-n1nnc(-c2nnc(-c3ccncc3)[nH]2)c1CN1CCCCC1 ZINC000003916450 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc(/C(C)=N\O)nn3)c(F)c2)C(=O)O1 ZINC000003918636 GD Annotated Mild O[C@@H]1CO[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000003923174 GD Annotated Anodyne CO[C@@H]1CCCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)C1 ZINC000003924986 GD Annotated Reactive C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[N+]4(C)CCOCC4)cc3)C[C@H]12 ZINC000003924994 GD Annotated Bother CN(C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)s1 ZINC000003928344 GD Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)C3CN(CC(C)(C)C)C3)[C@@H]12 ZINC000003940122 GD Annotated Anodyne C[C@H]1CN(C(=O)c2ccc(C#N)cc2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F ZINC000003941524 GD Annotated Mild in-vivo COC(=S)NC[C@H]1CN(c2ccc3c(c2)cc2n3CCN(C)C2=O)C(=O)O1 ZINC000003941547 GD Annotated Anodyne investigational CC(=O)NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000003952201 GD Annotated Anodyne O=C(O)C[C@@H]1CC(CNC(=O)CCCNC2=NCCN2)=CCc2ccccc21 ZINC000003964815 GD Annotated Anodyne O=C1NC(=O)C2(CCCC(=O)N2c2ccc(Oc3ccc(F)cc3)nc2)C(=O)N1 ZINC000003972083 GD Annotated Anodyne C[C@H](NC(=O)Cc1cccs1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21 ZINC000003980187 GD Annotated Anodyne N=C(N)c1ccc(O[C@@H]2CO[C@@H]3[C@@H](Oc4cccc(C(=N)N)c4)CO[C@H]23)cc1 ZINC000003990709 GD Annotated Anodyne in-vivo CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@@H]12 ZINC000003996027 GD Annotated Anodyne O=C1O[C@@H]2C[C@H]1[C@]13CC[C@@]4(OC1=O)C(=O)O[C@H](c1ccoc1)C[C@@]4(CO)[C@@H]3C2 ZINC000035050057 GD Annotated Anodyne O=C(O)c1ccc(C(=O)Nc2cc3c(=O)n(O)c(=O)[nH]c3cc2Cl)cc1 ZINC000035050330 GD Annotated Anodyne COC(=O)c1ccc(C(=O)Nc2cc3c(=O)n(O)c(=O)[nH]c3cc2Cl)cc1 ZINC000035050331 GD Annotated Anodyne COC(=O)c1cccc(C(=O)Nc2cc3c(=O)n(O)c(=O)[nH]c3cc2Cl)c1 ZINC000035050343 GD Annotated Anodyne O=[N+]([O-])C1=C2N(C[C@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)CN(CCO)C1 ZINC000035079203 GD Annotated Anodyne O=[N+]([O-])C1=C2N(C[C@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)CN(CCO)C1 ZINC000035079205 GD Annotated Anodyne O=C1CC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NCCO1 ZINC000035223830 GD Annotated Anodyne CC[C@H]1C(=O)N[C@](C(=O)SCCC(=O)OC)([C@@H](O)[C@@H]2C=CCCC2)[C@@]1(C)O ZINC000035259376 GD Annotated Anodyne COC(=O)CCSC(=O)[C@]1([C@@H](O)[C@@H]2C=CCCC2)NC(=O)[C@@H]2CCO[C@@]21C ZINC000035259378 GD Annotated Anodyne C[C@H]1CC(=O)C2=C(C1)[C@@H](Cl)[C@@H](O)[C@@]1(O)[C@@H](O)c3c(O)cccc3C(=O)[C@H]21 ZINC000035456201 GD Annotated Reactive C[C@@H]1CC(=O)C2=C(C1)[C@@H](Cl)[C@@H](O)[C@@]1(O)[C@@H](O)c3c(O)cccc3C(=O)[C@H]21 ZINC000035456204 GD Annotated Reactive COc1cc(OC)cc(N2C(=O)C(SCCO)=C(SCCO)C2=O)c1 ZINC000035815531 GD Annotated Anodyne CCOCCn1nc(CC)c2nc(N3CCNCC3)nc(Nc3ccccn3)c21 ZINC000035816498 GD Annotated Anodyne CCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@]2(C)[C@@H](O)[C@@H](C)C(=O)O[C@H]2[C@@H]1C ZINC000035826277 GD Annotated Anodyne Cn1c(=O)c2c(-c3ccc(Br)cc3)c(CN)c(N)nc2n(C)c1=O ZINC000035859659 GD Annotated Anodyne Cc1cc(N2C(=O)C(C)(C)N(CCCS(N)(=O)=O)C2=S)ccc1C#N ZINC000035878312 GD Annotated Mild CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(CCO)cn1 ZINC000035900778 GD Annotated Anodyne C=C(C)C#CC1=CC(=O)[C@@]2(C(=O)Oc3c(C#CC(=C)C)cc(O)c(C=O)c32)C1=O ZINC000035900915 GD Annotated Mild CC(=O)Nc1ccc(N2C(=O)C(SCCO)=C(SCCO)C2=O)cc1 ZINC000035931726 GD Annotated Anodyne C=C1[C@@H]2[C@@H](O)C[C@H]3[C@]4(C)CCC[C@](C)(CO)[C@H]4C[C@@H](O)[C@@]3([C@@H]1OC(C)=O)[C@@H]2O ZINC000035932276 GD Annotated Mild CCOC(=O)/C=C1\NC(=O)[C@@H]1[C@@H](C)OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000035943021 GD Annotated Anodyne CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc2c1=O ZINC000035950897 GD Annotated Anodyne Cn1c(=O)c2c(-c3ccccc3Br)c(CN)c(N)nc2n(C)c1=O ZINC000035967791 GD Annotated Anodyne C=C1[C@@H]2[C@@H](O)C[C@H]3[C@]4(C)CCC[C@](C)(C=O)[C@H]4C[C@@H](O)[C@@]3([C@@H]1OC(C)=O)[C@@H]2O ZINC000035996975 GD Annotated Mild CCN1CCN(C)C[C@H](NC(=O)c2cc(Cl)cc3c2OCC(=O)N3C)C1 ZINC000036107781 GD Annotated Anodyne COC1=C/C(=C/NNC(=O)C(=O)/C=C2\NC(C)(C)Cc3ccccc32)C=CC1=O ZINC000036173821 GD Annotated Reactive COCC(=O)N(c1ccccc1F)[C@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000036215849 GD Annotated Anodyne CC1(C)C(=O)N([C@@H]2CCCN(C(N)=O)CC2)C[C@H]1COc1ccc(C#N)cn1 ZINC000036286225 GD Annotated Mild CC1(C)C(=O)N([C@@H]2CCCN(C(N)=O)CC2)C[C@@H]1COc1ccc(C#N)cn1 ZINC000036286228 GD Annotated Mild CC1(C)C(=O)N([C@H]2CCCN(C(N)=O)CC2)C[C@H]1COc1ccc(C#N)cn1 ZINC000036286231 GD Annotated Mild CC1(C)C(=O)N([C@H]2CCCN(C(N)=O)CC2)C[C@@H]1COc1ccc(C#N)cn1 ZINC000036286234 GD Annotated Mild O=C1CCN(C2CCN(Cc3nc(Cc4ccccc4F)no3)CC2)CCN1 ZINC000036372487 GD Annotated Anodyne CC[C@@H](C)[C@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)C2=CO1 ZINC000036374817 GD Annotated Mild CC[C@@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)C2=CO1 ZINC000036374819 GD Annotated Mild CC[C@H](C)[C@@H](O)[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@H](O)C2=CO1 ZINC000036374822 GD Annotated Mild C=CC[C@]1(C(=O)NCCCOC)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375605 GD Annotated Mild O=C(NCc1ccc(F)cc1)[C@H]1C[C@H]2C(=O)NCC(=O)N2[C@H]1c1ccc(O)cc1 ZINC000036376801 GD Annotated Anodyne CO[C@@H]1OC(=O)[C@H](CC[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2C[C@H](O)[C@H](O)[C@@]32CO2)[C@@H]1O ZINC000036378604 GD Annotated Anodyne CO[C@@H]1OC(=O)[C@H](CC[C@@]2(C)[C@@H](C)CC[C@]3(C)[C@@H]2C[C@H](O)[C@H](O)[C@@]32CO2)[C@@H]1O ZINC000036378605 GD Annotated Anodyne CO[C@@H]1OC(=O)[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2C[C@H](O)[C@H](O)[C@@]32CO2)[C@@H]1O ZINC000036378606 GD Annotated Anodyne CO[C@@H]1OC(=O)[C@H](CC[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@@H]2C[C@H](O)[C@H](O)[C@@]32CO2)[C@@H]1O ZINC000036378607 GD Annotated Anodyne C/C=C/[C@@H]1[C@@H]2OC3=C(C(=O)O[C@]3(C)O)C(=O)[C@@]1(C)[C@H]1C[C@@H](O)[C@@H](C)C[C@H]1[C@H]2O ZINC000036378652 GD Annotated Mild C/C=C/[C@H]1[C@@H]2OC3=C(C(=O)O[C@]3(C)O)C(=O)[C@@]1(C)[C@H]1C[C@@H](O)[C@@H](C)C[C@H]1[C@H]2O ZINC000036378653 GD Annotated Mild CO[C@H]1O[C@@H](O)[C@@H](O)[C@]12CC[C@@]1(O2)[C@H](C)C[C@H]2OC(=O)[C@@]3(C)CCC[C@]1(C)[C@H]23 ZINC000036378731 GD Annotated Anodyne CO[C@H]1O[C@@H](O)[C@@H](O)[C@]12CC[C@@]1(O2)[C@H](C)C[C@H]2OC(=O)[C@@]3(C)CCC[C@]1(C)[C@@H]23 ZINC000036378732 GD Annotated Anodyne CO[C@H]1O[C@@H](O)[C@@H](O)[C@@]12CC[C@@]1(O2)[C@H](C)C[C@H]2OC(=O)[C@@]3(C)CCC[C@]1(C)[C@H]23 ZINC000036378733 GD Annotated Anodyne CO[C@H]1O[C@@H](O)[C@@H](O)[C@@]12CC[C@@]1(O2)[C@H](C)C[C@H]2OC(=O)[C@@]3(C)CCC[C@]1(C)[C@@H]23 ZINC000036378734 GD Annotated Anodyne CCOC(=O)c1cccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)O)C2=O)c1 ZINC000036380143 GD Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(I)c12 ZINC000036380204 GD Annotated Anodyne C=COC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000036380531 GD Annotated Clean CCNC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000036380542 GD Annotated Clean O=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000036380545 GD Annotated Clean Cc1cc(C(=O)O[C@H]2[C@H](C)NS(=O)(=O)[C@H]3C[C@@H]4C=C[C@]23O4)cc([N+](=O)[O-])c1 ZINC000036383074 GD Annotated Bother CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2ccc3ccccc32)[C@@H]1OC(C)=O ZINC000036383333 GD Annotated Anodyne Cc1ccc(C(=O)c2c3ccc([N+](=O)[O-])cc3[n+]([O-])n2CCCC(N)=O)cc1 ZINC000036383470 GD Annotated Bother COc1ccc(C(=O)c2c3ccc(OC)cc3[n+]([O-])n2CCCC(N)=O)cc1 ZINC000036383487 GD Annotated Anodyne COc1ccc(C(=O)c2c3ccc([N+](=O)[O-])cc3[n+]([O-])n2CCCC(N)=O)cc1 ZINC000036383495 GD Annotated Bother O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCN1CCCc2ccccc21 ZINC000036384108 GD Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCN1CCCc2ccccc21 ZINC000036384111 GD Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000036384242 GD Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000036384273 GD Annotated Anodyne CSc1ncc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)cn1 ZINC000036385692 GD Annotated Anodyne CCCSc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386543 GD Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]cnc2C(=O)Nc2ccon2)CC1 ZINC000036387785 GD Annotated Anodyne CC1CCN(C(=O)c2[nH]cnc2C(=O)OCCNC(=O)OC(C)(C)C)CC1 ZINC000036387804 GD Annotated Anodyne CCN(CC)C(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036388146 GD Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000036388558 GD Annotated Anodyne COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000036388599 GD Annotated Mild CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)CNC(=O)[C@@]12C ZINC000036388982 GD Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)[C@H](C)NC(=O)[C@@]12C ZINC000036388987 GD Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)CN(C)C(=O)[C@@]12C ZINC000036389036 GD Annotated Anodyne C=C1[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C=C(OC)C(=O)[C@]4(C)[C@@H]([C@H](O)[C@@H]1O)[C@]23C ZINC000036399630 GD Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@H](C)O3)[C@H]12 ZINC000036417717 GD Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)C[C@H](O)[C@H](O)C(C)(C)[C@H]1[C@@H](OC(C)=O)C3 ZINC000036442949 GD Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C(C)=CC[C@@]2([C@@H]1OC(C)=O)[C@H]1[C@H](C)COC(=O)[C@H]1O[C@@]2(C)O ZINC000036464157 GD Annotated Anodyne Cc1ccc(C(N)=O)cc1Nc1nc(N[C@H]2CCNC2)nc(N(C)CC(C)C)n1 ZINC000036761667 GD Annotated Anodyne Cc1cc(CNS(=O)(=O)c2cccc(N/C=C3\CCOC3=O)c2)nc(N)n1 ZINC000036966118 GD Annotated Anodyne in-vivo CC(C)[C@H](C=O)[C@H]1[C@H](NS(C)(=O)=O)CCN1C(=O)/C=C/CN1CCCCC1 ZINC000037867735 GD Annotated Mild in-vivo Cc1c(O)c2ccccc2c2c1sc(=NCCCN(CCO)CCO)n2C ZINC000377640488 GD Annotated Anodyne COCCOc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377797789 GD Annotated Anodyne CN(C)[N+](=O)NOc1cc(OC(=O)c2cccnc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377803799 GD Annotated Reactive CN(C)[N+](=O)NOc1cc(OC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377803810 GD Annotated Reactive CN(C)[N+](=O)NOc1cc(Nc2ccc(CO)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377803814 GD Annotated Bother O=C(c1ccccc1)c1cccc(/C=c2\nc(O)/c(=C/c3ncccn3)nc2O)c1 ZINC000377805984 GD Annotated Anodyne N#Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[n+](=O)c2ccccc2n1O ZINC000377811333 GD Annotated Mild COc1ccc2c(c1)n(O)c(C#N)c(NC(=O)c1ccccc1OC(C)=O)[n+]2=O ZINC000377811630 GD Annotated Mild CCOC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000377813066 GD Annotated Bother CCOC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000377813067 GD Annotated Bother O=[n+]1[nH]c2c(I)cnn2c2cc(OCCCl)ccc21 ZINC000377819852 GD Annotated Reactive O=C1C2=NC=C3CCN4C(=C32)C2=C1NCC[C@]21C=C(Br)[C@H](O)[C@H]4C1 ZINC000377829967 GD Annotated Mild O=C1C2=NC=C3CCN4C(=C32)C2=C1NCC[C@]21C=C(Br)[C@@H](O)[C@H]4C1 ZINC000377829968 GD Annotated Mild C=COC(=O)N1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377830440 GD Annotated Bother CCOC(=O)N1CCN([N+](=O)NOc2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377837507 GD Annotated Bother O=[n+]1[nH]c2c(I)cnn2c2cc(OC(F)F)ccc21 ZINC000377839380 GD Annotated Anodyne CCOC(=O)/C(C(N)=O)=C(O)\C(O)=C(/Br)C(=O)c1ccccc1 ZINC000377840782 GD Annotated Mild O=[n+]1c2cc3c(cc2n(O)c2cccc(O)c21)CN(CCN1CCOCC1)C3 ZINC000377841285 GD Annotated Bother CCOC(=O)CC1=CSC2=S=C(/C=C3\C=CC=C(OC)C3=O)C(=O)N12 ZINC000377842771 GD Annotated Mild CCOC(=O)CC1=CSC2=S=C(/C=C3/C=CC=C(OC)C3=O)C(=O)N12 ZINC000377842775 GD Annotated Mild CN(C)/C=N/C(=O)c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccncc3)cc12 ZINC000377845411 GD Annotated Mild COc1ccc2c(c1)n(O)c(C#N)c(NC(=O)c1ccc([N+](=O)[O-])s1)[n+]2=O ZINC000377845818 GD Annotated Mild CCOC(=O)N1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000377850272 GD Annotated Mild CCOC(=O)N1CCCN([N+](=O)NOc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000377850312 GD Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN(C)Cc1no[n+]([O-])c1C(N)=O)O2 ZINC000038143396 GD Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CN(C)Cc1no[n+]([O-])c1C(N)=O)O2 ZINC000038143397 GD Annotated Anodyne C[C@H](NC(=O)[C@@H]1COC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N1)c1ccccc1 ZINC000038147789 GD Annotated Bother CCn1c(=O)/c(=C2\Oc3ccccc3N2C)s/c1=C/c1cccc[n+]1CC ZINC000038152053 GD Annotated Anodyne C[C@H](OC(=O)/C=C\c1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 ZINC000038153215 GD Annotated Anodyne C[C@@H](OC(=O)/C=C\c1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 ZINC000038153217 GD Annotated Anodyne CCO[C@@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br ZINC000038155303 GD Annotated Clean CCO[C@@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br ZINC000038155304 GD Annotated Clean CCO[C@@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br ZINC000038155305 GD Annotated Clean CCO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000038155306 GD Annotated Clean CCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000038155307 GD Annotated Clean CCO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000038155308 GD Annotated Clean COc1ccc(NCC(=O)N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000038200756 GD Annotated Reactive COCCOCCOCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1 ZINC000038209590 GD Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@H]2C(=O)c3ccoc3C[C@@H]2[C@@]2(C)C(=O)CCC(C)(C)[C@]12O ZINC000038225083 GD Annotated Anodyne OC[C@@H]1[C@@H](c2ccc3c(c2)OCO3)OC[C@]1(O)[C@H](O)c1ccc2c(c1)OCO2 ZINC000038231433 GD Annotated Anodyne C[C@@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1 ZINC000038238622 GD Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2c3cc4c(cc3C(=O)N[C@H]2[C@@H]2OC(C)(C)O[C@H]12)OCO4 ZINC000038252643 GD Annotated Anodyne CCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@]2(C)[C@@H](O)[C@H](C)C(=O)O[C@H]2[C@@H]1C ZINC000038267851 GD Annotated Anodyne COc1c(C)cc2c(c1CO)C=C1C(=O)C=C[C@@]3(O)C[C@H](C(C)(C)O)O[C@@]13O2 ZINC000038267950 GD Annotated Mild COC(=O)C[C@@H]1[C@@H]2[C@@H](OC)OC[C@]2(O)C[C@H]1OC(=O)/C=C/c1ccc(O)cc1 ZINC000038319172 GD Annotated Anodyne CN(C)c1ccc(CC2(Cc3ccc(N(C)C)cc3)C(=O)NC(=O)NC2=O)cc1 ZINC000038319233 GD Annotated Anodyne C/C=C1\C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@]4(CO)C(=O)OC ZINC000038321710 GD Annotated Bother in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000038321746 GD Annotated Mild in-vitro biogenic CNC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1 ZINC000038358632 GD Annotated Anodyne COc1cc(N(C)C[C@@H]2CCC3=C(C2)C(N)=N[C@H](N)N3)cc(OC)c1OC ZINC000038377674 GD Annotated Clean COc1cc(N(C)C[C@H]2CCC3=C(C2)C(N)=N[C@H](N)N3)cc(OC)c1OC ZINC000038377675 GD Annotated Clean in-vivo CC1CCC(C(=O)N2CCC(N(N)CC(=O)N3CSC[C@H]3C#N)CC2)CC1 ZINC000038415591 GD Annotated Mild COC1CCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)CC1 ZINC000038424815 GD Annotated Reactive CN(C)CCN1C(=O)CC[C@H](N2C(=O)c3cc4ccccc4cc3C2=O)C1=O ZINC000038446072 GD Annotated Anodyne CN(C)CCN1C(=O)CC[C@@H](N2C(=O)c3cc4ccccc4cc3C2=O)C1=O ZINC000038446073 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000038459617 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000038459618 GD Annotated Anodyne C[C@@H]1[C@@H](CO)[C@]2(O)OCC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000038625475 GD Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2 ZINC000038722236 GD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1[C@@H](OC(C)=O)[C@@H]3O ZINC000038724956 GD Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H]3O[C@H](OC)[C@@]45[C@@H](O)CCC(C)(C)[C@H]4[C@H](O)C(=O)[C@@](C2)([C@@H]35)[C@@H]1O ZINC000038795297 GD Annotated Mild CS[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@@](SC)([C@H](C)O)NC1=O ZINC000038795366 GD Annotated Anodyne O=C1C[C@@H](O)[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1C5=O ZINC000038795376 GD Annotated Anodyne CO[C@@H]1CC(=O)c2cccc3c2[C@@]12Oc1ccc(O)c4c1[C@](O3)(O2)[C@@H]1O[C@@H]1C4=O ZINC000038796336 GD Annotated Anodyne COc1ccc2c(c1)NC(=O)[C@@]21C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1C=C(C)C ZINC000038796449 GD Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@H](OC(C)=O)C3=CCN(C2)[C@H]31 ZINC000038826051 GD Annotated Anodyne COC(=O)/C(=C/C[C@H]1[C@]2(CO2)C[C@@H](O)[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C)[C@@H]1CO1 ZINC000038896307 GD Annotated Anodyne COC(=O)/C(=C/C[C@H]1[C@]2(CO2)C[C@@H](O)[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C)[C@H]1CO1 ZINC000038896309 GD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C(C#N)C#N)C3)c(F)c2)C(=O)O1 ZINC000038896414 GD Annotated Reactive CCN(CC)C(=O)/C(C#N)=C/c1cc(OP(=O)(O)O)c(O)c([N+](=O)[O-])c1 ZINC000038908768 GD Annotated Reactive OCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@@H]1O ZINC000038934372 GD Annotated Clean C=C(C)[C@H]1CC(=O)[C@H]2CC(=O)C(=C(C)C)[C@@H]3OC(=O)[C@@]4(O[C@H]4[C@@H]1O2)[C@H]3N(C)C ZINC000038966945 GD Annotated Mild CCc1cc(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)cc2c1C(=O)c1c(O)cccc1C2=O ZINC000038967372 GD Annotated Clean C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)[C@H](O)[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000038988136 GD Annotated Anodyne Cc1c(N2C[C@H](N)C3(CC3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000038988422 GD Annotated Anodyne CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000039010518 GD Annotated Bother CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000039010519 GD Annotated Bother CCCCCCn1c(O)c(CCC)c(=O)n2c3c(=O)n(C)c(=O)n(C)c3nc12 ZINC000039125321 GD Annotated Anodyne CCCCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000039141431 GD Annotated Anodyne CCCC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)C/C=C\C(=O)O ZINC000039180177 GD Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C=O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000039205613 GD Annotated Mild CCOC(=O)C(=O)Nc1cc(NC(=O)C(=O)OCC)c(Cl)cc1Cl ZINC000039333570 GD Annotated Anodyne CCOC(=O)C(=O)Nc1cc(C(C)=O)cc(NC(=O)C(=O)OCC)c1Cl ZINC000039333577 GD Annotated Anodyne O=C(c1ccnc(-n2cnnn2)c1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000039379990 GD Annotated Anodyne O=C(c1ccnc(-n2cnnn2)c1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000039379993 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@]2(O)CC[C@@H]1[C@H]3O ZINC000039477180 GD Annotated Mild in-vitro biogenic COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 ZINC000039510295 GD Annotated Anodyne COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 ZINC000039510297 GD Annotated Anodyne Cn1ncc(N2CCN(C(=O)[C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)CC2)cc1=O ZINC000039542171 GD Annotated Clean CCOC(=O)[C@@H]1CCCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1 ZINC000004003592 GD Annotated Anodyne CCOC(=O)[C@H]1CCCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1 ZINC000004003594 GD Annotated Anodyne Cc1ccc(-n2c(=O)cc(N3CCN(C(=O)c4ccco4)CC3)[nH]c2=O)cc1 ZINC000004033697 GD Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004039545 GD Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004039546 GD Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004039552 GD Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004039559 GD Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041182 GD Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041185 GD Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041189 GD Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041192 GD Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCO ZINC000004041359 GD Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCO ZINC000004041362 GD Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCO ZINC000004041366 GD Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCO ZINC000004041377 GD Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049214 GD Annotated Bother O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049215 GD Annotated Bother O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049216 GD Annotated Bother O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049217 GD Annotated Bother COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOCCO ZINC000004049471 GD Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOCCO ZINC000004049472 GD Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOCCO ZINC000004049473 GD Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOCCO ZINC000004049474 GD Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000004056500 GD Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000004056501 GD Annotated Anodyne Cc1nc2nc(C)c(CCC(=O)N3CCN(c4ccccn4)CC3)c(C)n2n1 ZINC000004076701 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000004097905 GD Annotated Mild in-vitro C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000004097926 GD Annotated Bother in-vitro O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)NC[C@@H]1CCCO1 ZINC000004099843 GD Annotated Anodyne O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)NC[C@H]1CCCO1 ZINC000004099850 GD Annotated Anodyne O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)N1CCC2(CC1)OCCO2 ZINC000004110994 GD Annotated Anodyne CCCc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000004112675 GD Annotated Anodyne CCCc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000004112676 GD Annotated Anodyne O=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)N1CCC2(CC1)OCCO2 ZINC000004115515 GD Annotated Anodyne Cc1cc(NC(=O)Cn2c(=O)n(C[C@@H]3CCCO3)c(=O)c3ccccc32)[nH]n1 ZINC000004130728 GD Annotated Anodyne Cc1cc(NC(=O)Cn2c(=O)n(C[C@H]3CCCO3)c(=O)c3ccccc32)[nH]n1 ZINC000004130729 GD Annotated Anodyne COC(=O)c1ccc(CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)o1 ZINC000004138848 GD Annotated Anodyne CCc1nc(SCc2ccc(C(=O)OC)o2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004138951 GD Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCOCCO ZINC000004152540 GD Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCOCCO ZINC000004152541 GD Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCOCCO ZINC000004152543 GD Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCOCCO ZINC000004152545 GD Annotated Anodyne O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc(Sc2ccccc2)c1 ZINC000004185217 GD Annotated Bother O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc(Sc2ccccc2)c1 ZINC000004185222 GD Annotated Bother O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc(Sc2ccccc2)c1 ZINC000004185225 GD Annotated Bother O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc(Sc2ccccc2)c1 ZINC000004185227 GD Annotated Bother O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc(Oc2ccc(F)cc2)c1 ZINC000004185254 GD Annotated Bother O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc(Oc2ccc(F)cc2)c1 ZINC000004185255 GD Annotated Bother O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc(Oc2ccc(F)cc2)c1 ZINC000004185257 GD Annotated Bother O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc(Oc2ccc(F)cc2)c1 ZINC000004185259 GD Annotated Bother C[C@H]1O[C@@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000004185469 GD Annotated Bother C[C@@H]1O[C@@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000004185473 GD Annotated Bother C[C@H]1O[C@@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000004185476 GD Annotated Bother C[C@@H]1O[C@@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000004185480 GD Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000004195112 GD Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCC(O)CC2)cc1 ZINC000004230537 GD Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](C(C)C)N2CCC(O)CC2)cc1 ZINC000004230538 GD Annotated Anodyne COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(C3CC3)c2=O)cc1 ZINC000004238274 GD Annotated Anodyne N#CCCn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc21 ZINC000004238295 GD Annotated Mild CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(CCC#N)c3n2)CC1 ZINC000004238400 GD Annotated Mild COCCn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc21 ZINC000004238419 GD Annotated Anodyne N#CCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc21 ZINC000004238657 GD Annotated Mild CN1CCN(c2ncc3nc(-c4cccs4)c(=O)n(CCC#N)c3n2)CC1 ZINC000004238760 GD Annotated Mild O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1 ZINC000004238830 GD Annotated Anodyne COCCn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc21 ZINC000004238936 GD Annotated Anodyne COCCn1c(=O)c(-c2cccs2)nc2cnc(N3CCN(C)CC3)nc21 ZINC000004238943 GD Annotated Anodyne COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(N3CCOCC3)nc21 ZINC000004238968 GD Annotated Mild N#CCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc21 ZINC000004238969 GD Annotated Mild CN(C)c1ncc2nc(-c3cccc(C#N)c3)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004239000 GD Annotated Mild O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1C1CC1 ZINC000004239001 GD Annotated Anodyne N#CCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc21 ZINC000004239022 GD Annotated Mild COCCn1c(=O)c(-c2ccccc2)nc2cnc(N3CCN(C)CC3)nc21 ZINC000004239037 GD Annotated Anodyne aggregator O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1C1CC1 ZINC000004239060 GD Annotated Anodyne N#CCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc21 ZINC000004239107 GD Annotated Mild COc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(C3CC3)c2=O)cc1 ZINC000004239166 GD Annotated Anodyne CCOC(=O)[C@]1(C)N[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000004416033 GD Annotated Anodyne CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3nc(C)nn3c2C)CC1 ZINC000004435212 GD Annotated Anodyne O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCC2(CC1)OCCO2 ZINC000004436216 GD Annotated Anodyne O=C1Nc2c(Br)cc(Br)cc2[C@]1(O)N1CCOCC1 ZINC000004437669 GD Annotated Anodyne O=C1Nc2c(Br)cc(Br)cc2[C@@]1(O)N1CCOCC1 ZINC000004437671 GD Annotated Anodyne N#Cc1cc2cc3c(cc2nc1N1CCCN(C(=O)CCC(=O)O)CC1)OCO3 ZINC000040011647 GD Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@H]1C[C@]3(C=C(Br)[C@@H]1O)CCN2 ZINC000040379849 GD Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1C[C@@]3(C=C(Br)[C@@H]1O)CCN2 ZINC000040379850 GD Annotated Mild C/C=C/C=C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)C[C@H](C)O)C(=O)[C@]23O[C@@H]3O1 ZINC000040380657 GD Annotated Mild in-vitro C/C=C/C=C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)C[C@H](C)O)C(=O)[C@@]23O[C@H]3O1 ZINC000040380658 GD Annotated Mild in-vitro CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2F)C(=O)O1 ZINC000040391625 GD Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@@H](OC(C)=O)[C@H](O)[C@]3(C2)[C@@H]1O ZINC000040391710 GD Annotated Mild in-vitro biogenic C=C1C[C@@]23C(=O)C(=O)[C@@H]4[C@@]5(C)C[C@H](OC(C)=O)C[C@@]46[C@@H]2C[C@@H]1C(=O)[C@@H]3[C@H]6N(C)C5 ZINC000040392630 GD Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@@](CC(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](O)[C@]43C)(C2)[C@@H]1OC(C)=O ZINC000040394684 GD Annotated Mild O=S(=O)(O)O/C=C/c1ccc2c(c1)O[C@H]([C@H](O)c1ccc(O)c(O)c1)O2 ZINC000040395118 GD Annotated Clean O=S(=O)(O)O/C=C/c1ccc2c(c1)O[C@@H]([C@H](O)c1ccc(O)c(O)c1)O2 ZINC000040395119 GD Annotated Clean O=S(=O)(O)O/C=C/c1ccc2c(c1)O[C@H]([C@@H](O)c1ccc(O)c(O)c1)O2 ZINC000040395120 GD Annotated Clean O=S(=O)(O)O/C=C/c1ccc2c(c1)O[C@@H]([C@@H](O)c1ccc(O)c(O)c1)O2 ZINC000040395121 GD Annotated Clean CC(=O)NC[C@H]1CN(c2ccc(N3C/C(=N\O)C4(CC4)C3)c(F)c2)C(=O)O1 ZINC000040395601 GD Annotated Mild CC(=O)OCO/N=[N+](\[O-])N1CCC[C@H]1COC(=O)c1ccccc1OC(C)=O ZINC000040395699 GD Annotated Clean COC(=O)[C@H]1[C@H](C(=O)OC)[C@H](C(=O)c2ccc(Cl)cc2)N2N=CC=C[C@@H]12 ZINC000040403516 GD Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O ZINC000040403684 GD Annotated Bother C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@@H](O)CC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000040406465 GD Annotated Mild in-vitro biogenic CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)[C@H]2O1 ZINC000040408300 GD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@](O)(C(=O)/C=C/C)[C@@H](C)[C@H](O)C[C@H]12 ZINC000040409773 GD Annotated Mild C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@H](C)CC)[C@](O)(C(=O)/C=C/C)[C@@H](C)[C@H](O)C[C@H]12 ZINC000040411311 GD Annotated Mild C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@@H](C)CC)[C@](O)(C(=O)/C=C/C)[C@@H](C)[C@H](O)C[C@H]12 ZINC000040411314 GD Annotated Mild C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@H](C)CC)[C@](O)(C(=O)/C=C/C)[C@@H](C)C(=O)C[C@H]12 ZINC000040420286 GD Annotated Mild C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@@H](C)CC)[C@](O)(C(=O)/C=C/C)[C@@H](C)C(=O)C[C@H]12 ZINC000040420288 GD Annotated Mild CCN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1 ZINC000040420427 GD Annotated Anodyne O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O ZINC000040420529 GD Annotated Bother CC(C)(C)Cn1c(CN2C(=O)NC3(CCNCC3)C2=O)cc2cnc(C#N)nc21 ZINC000040422037 GD Annotated Mild O=C1C2=C(C(=O)c3ncccc31)[C@]1(CS2)N=C(O)N(c2ccncc2)C1=O ZINC000040423532 GD Annotated Mild O=C1C2=C(C(=O)c3ncccc31)[C@@]1(CS2)N=C(O)N(c2ccncc2)C1=O ZINC000040423533 GD Annotated Mild Cc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCN3CCN(C)CC3)C1=O)CCO2 ZINC000040423915 GD Annotated Mild N#C[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O ZINC000040431016 GD Annotated Mild OC[C@@H]1O[C@H](O)[C@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@H](O)[C@@H]1O ZINC000040449819 GD Annotated Anodyne OC[C@@H]1O[C@H](O)[C@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O ZINC000040449823 GD Annotated Anodyne CO[C@H](C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000040461525 GD Annotated Anodyne COCC(=O)N(c1ccccc1OC)[C@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000040461542 GD Annotated Anodyne O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)C(=O)[C@H](C(=O)O)CN3C1CC1 ZINC000040465101 GD Annotated Clean O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)C(=O)[C@@H](C(=O)O)CN3C1CC1 ZINC000040465102 GD Annotated Clean CSc1c(O)n(Cc2ccccc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000040465659 GD Annotated Anodyne C/N=C(\NC#N)NCCSCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000040466742 GD Annotated Mild Cc1nc2ccccc2c(=O)n1C[C@H](O)CNC(=O)C1=CC(C)(C)NC1(C)C ZINC000040466929 GD Annotated Anodyne Cc1nc2ccccc2c(=O)n1C[C@@H](O)CNC(=O)C1=CC(C)(C)NC1(C)C ZINC000040466930 GD Annotated Anodyne N=C(N/N=C\c1ccc2nc(/C=N\NC(=N)N3CCCC3)cn2c1)N1CCCC1 ZINC000040492483 GD Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC(=O)[C@]3(C)C(=O)O)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000040496949 GD Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@H](CCC(=O)[C@]3(C)C(=O)O)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000040496951 GD Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@@H](CCC(=O)[C@]3(C)C(=O)O)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000040496952 GD Annotated Anodyne COC(=O)O[C@H]1CCn2c3c(c(COC(N)=O)c21)C(=O)C(OC)=C(C)C3=O ZINC000040505498 GD Annotated Mild COC(=O)O[C@@H]1CCn2c3c(c(COC(N)=O)c21)C(=O)C(OC)=C(C)C3=O ZINC000040505500 GD Annotated Mild CN1C(C(=O)Nc2ccc(O)cc2C(=O)O)=C(O)c2ccccc2S1(=O)=O ZINC000040511788 GD Annotated Anodyne CCC[C@@H]1C[C@H](C(=O)N[C@@](C)(CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000040554602 GD Annotated Anodyne O=C(CO)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1 ZINC000040567318 GD Annotated Anodyne CC(C)(C)NC(=O)c1cn2ccnc2c(N2CCN(c3ncccn3)CC2)n1 ZINC000040567468 GD Annotated Anodyne C[C@H](NC(=O)[C@H]1COC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N1)c1ccccc1 ZINC000040575970 GD Annotated Bother CN1CCN(C)[C@](C)(c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)C1 ZINC000040585244 GD Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC[S@](C)=O)N1CCOCC1 ZINC000040631998 GD Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CC[S@](C)=O)N1CCOCC1 ZINC000040632000 GD Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC[S@@](C)=O)N1CCOCC1 ZINC000040632002 GD Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CC[S@@](C)=O)N1CCOCC1 ZINC000040632004 GD Annotated Anodyne CCN1C[C@H](C(=O)O)C(=O)c2c(O)c3c(c(O)c21)C(=O)c1ccccc1C3=O ZINC000040639394 GD Annotated Clean CCN1C[C@@H](C(=O)O)C(=O)c2c(O)c3c(c(O)c21)C(=O)c1ccccc1C3=O ZINC000040639396 GD Annotated Clean CC1(C)C=C(C(=O)NCCCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C(C)(C)N1 ZINC000040639953 GD Annotated Anodyne CC1(C)C=C(C(=O)NCCCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)C(C)(C)N1 ZINC000040639956 GD Annotated Anodyne CC1(C)C=C(C(=O)NCCCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)C(C)(C)N1 ZINC000040639959 GD Annotated Anodyne CC1(C)C=C(C(=O)NCCCNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)C(C)(C)N1 ZINC000040639962 GD Annotated Anodyne COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@@H]3OC(=O)CCl)C1=O ZINC000040640237 GD Annotated Reactive COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@H]3OC(=O)CCl)C1=O ZINC000040640240 GD Annotated Reactive CN1C(C(=O)Nc2ccccc2-c2nn[nH]n2)=C(O)c2ccccc2S1(=O)=O ZINC000040651822 GD Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H]2CCCO2)[C@@]2(C)CC[C@@H]1C2 ZINC000040656137 GD Annotated Anodyne C[C@@H]1N=N[C@H](c2ccc(S(=O)(=O)N[C@H]3SC(=S)NC3=O)cc2)S1 ZINC000040712320 GD Annotated Clean C[C@H]1N=N[C@H](c2ccc(S(=O)(=O)N[C@H]3SC(=S)NC3=O)cc2)S1 ZINC000040712322 GD Annotated Clean C[C@@H]1N=N[C@@H](c2ccc(S(=O)(=O)N[C@H]3SC(=S)NC3=O)cc2)S1 ZINC000040712325 GD Annotated Clean C[C@H]1N=N[C@@H](c2ccc(S(=O)(=O)N[C@H]3SC(=S)NC3=O)cc2)S1 ZINC000040712326 GD Annotated Clean OC[C@@H](O)CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1 ZINC000040720104 GD Annotated Anodyne CSCC[C@@H]1NC(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O ZINC000040752806 GD Annotated Mild O=C(CSc1nnn(-c2ccc(O)cc2)n1)NCc1cccc(C(=O)O)c1 ZINC000040763086 GD Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2cnc[nH]2)[C@@]2(C)CC[C@@H]1C2 ZINC000040786693 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1cnc[nH]1 ZINC000040786695 GD Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccco2)[C@@]2(C)CC[C@@H]1C2 ZINC000040786737 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000040786739 GD Annotated Anodyne CCN(CC)C(=O)C[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCOCC1 ZINC000040791322 GD Annotated Anodyne CCN(CC)C(=O)C[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCOCC1 ZINC000040791323 GD Annotated Anodyne COCCN(CCOC)[C@@H](CC(=O)OC)C(=O)Oc1c(OC)cccc1OC ZINC000040822891 GD Annotated Anodyne COCCN(CCOC)[C@H](CC(=O)OC)C(=O)Oc1c(OC)cccc1OC ZINC000040822893 GD Annotated Anodyne O=C1CN(CCCS)C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040823037 GD Annotated Mild O=C1CN(CCCS)C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040823040 GD Annotated Mild CCOC(=O)C(C)(Cc1nc2c(n1C)C(=O)C(C)=C(C)C2=O)C(=O)OCC ZINC000040835854 GD Annotated Mild O=C1NN(c2ccccc2)C(=O)[C@@]2(CSC3=C2C(=O)c2ncccc2C3=O)N1 ZINC000040846739 GD Annotated Mild O=C1NN(c2ccccc2)C(=O)[C@]2(CSC3=C2C(=O)c2ncccc2C3=O)N1 ZINC000040846741 GD Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@H]5O[C@]3(O)[C@@H]2C[C@@H]1[C@]54C(=O)OC ZINC000040847271 GD Annotated Anodyne COC(=O)NC[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2)C(=O)O1 ZINC000040848665 GD Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1cc(F)c(N2CCCOCC2)c(F)c1 ZINC000040849242 GD Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000040861634 GD Annotated Reactive Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(Cc4ccccn4)CC3)cc21 ZINC000040864028 GD Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(CO)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@](C)(C(C)=O)[C@H]12 ZINC000040865999 GD Annotated Mild CN1C[C@@H](CNS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000040867112 GD Annotated Clean in-vivo CCNC(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(C(C)C)nnc12 ZINC000040872424 GD Annotated Anodyne C=CCOC(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)OC)[C@H]1O ZINC000040874614 GD Annotated Mild C=CCOC(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)OC)[C@@H]1O ZINC000040874616 GD Annotated Mild C=C1C[C@H](O)[C@H]2[C@H](CN[C@H](C(=O)O)[C@H](C)CC)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000040876066 GD Annotated Mild CO/N=C1\CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC12CC2 ZINC000040878777 GD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3C/C(=N\N)C4(CC4)C3)c(F)c2)C(=O)O1 ZINC000040879350 GD Annotated Mild CCOC(=O)C#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)NC(C)C)O2)nn1 ZINC000040891688 GD Annotated Mild C[N+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13 ZINC000040895442 GD Annotated Bother Cn1cc(C(=O)O)c(=O)c2cc(O)c(N3CCN(c4cnccn4)CC3)cc21 ZINC000040915358 GD Annotated Anodyne C#CCCCO/N=C1/[C@H]2CCN3C(=O)N(c4ccccc4)CN3[C@H]2[C@H](O)[C@@H]2O[C@H]12 ZINC000040915430 GD Annotated Mild COC1=CC([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@@H]32)OCO4)=CC(=O)C1=O ZINC000040918338 GD Annotated Mild CN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1 ZINC000040933613 GD Annotated Anodyne C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@H](C[C@@H](C)n2cc(C#CCN(C)C)nn2)O1 ZINC000040933645 GD Annotated Mild CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN(C)C)nn2)O1 ZINC000040934796 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1[C@H]1O[C@H]1[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)/C(C)=C\C ZINC000040935470 GD Annotated Mild NNC(=O)c1cc(-c2ccccc2)nn1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000040936689 GD Annotated Reactive NNC(=O)c1cc(-c2ccccc2)nn1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000040936691 GD Annotated Reactive COC(=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2C=CC=NN2[C@H]1C(=O)c1ccc(Cl)cc1 ZINC000040939512 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC(=O)[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000040943150 GD Annotated Mild in-vitro biogenic O=C(O)CNC(=O)c1nccc2c1ncn2-c1ccc(Br)cc1 ZINC000040949361 GD Annotated Anodyne C/C(=C/S(C)(=O)=O)n1c(C(=O)c2ccc(Br)cc2)noc1=O ZINC000040951377 GD Annotated Anodyne COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(C)C)cc1OC ZINC000040952345 GD Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12 ZINC000040972495 GD Annotated Anodyne N#Cc1c(N)nc2[nH]c(=S)[nH]c(=O)c2c1-c1ccc(N2CCOCC2)cc1 ZINC000040975258 GD Annotated Mild CC[C@H](N)[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1 ZINC000042889738 GD Annotated Anodyne CC[C@@H](N)[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1 ZINC000042889742 GD Annotated Anodyne CC[C@H](N)[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1 ZINC000042889746 GD Annotated Anodyne CC[C@@H](N)[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1 ZINC000042889750 GD Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1cccc(CO[N+](=O)[O-])n1 ZINC000042965166 GD Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)N(CCO)CCO)c2ncccc2c1 ZINC000042988507 GD Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)N(CCO)CCO)c2ncccc2c1 ZINC000042988508 GD Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc12 ZINC000043009747 GD Annotated Anodyne C#CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000043013356 GD Annotated Mild O=C(C[C@H]1NCC[C@@H]1OCc1ccccc1)Cn1cnc2cccnc2c1=O ZINC000043020031 GD Annotated Anodyne C=CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000043020592 GD Annotated Mild c1cc(OCCCCCOc2cccc(C3=NCCN3)n2)nc(C2=NCCN2)c1 ZINC000043022241 GD Annotated Anodyne C#CCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21 ZINC000043024172 GD Annotated Mild O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000043058870 GD Annotated Anodyne C=COC(=O)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000043066756 GD Annotated Clean Cn1c(C(F)(F)F)cc(=O)n(-c2cc3c(ccc(=O)n3CC#N)cc2F)c1=O ZINC000043067710 GD Annotated Mild Cn1c(S)n[n+]2c(N)c(C#N)c(-c3ccc(N4CCOCC4)cc3)c(C#N)c12 ZINC000043075607 GD Annotated Mild Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C=O)CC4)c(F)c3)C(=O)O2)nn1 ZINC000043080756 GD Annotated Anodyne O=S(=O)(Cc1n[nH]c(=S)o1)c1c[nH]cc1S(=O)(=O)c1ccccc1 ZINC000043120245 GD Annotated Anodyne c1cc(C2=NCCN2)ncc1OCCCCCOc1ccc(C2=NCCN2)nc1 ZINC000043121249 GD Annotated Anodyne O=C(/C=C/c1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)CCN1)c1ccccc1 ZINC000043129264 GD Annotated Mild CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@](C)(O)c3ccsc3)nc21 ZINC000043202179 GD Annotated Mild CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)c3ccsc3)nc21 ZINC000043202180 GD Annotated Mild CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@](C)(O)c3ccccc3)nc21 ZINC000043202184 GD Annotated Mild CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)c3ccccc3)nc21 ZINC000043202185 GD Annotated Mild C#Cc1ccc(Nc2c(C(=O)NOCCO)c3n(c(=O)c2F)CCC3)c(F)c1 ZINC000043205685 GD Annotated Mild CN(C)/[N+]([O-])=N/Oc1cc(OC(=O)c2cccnc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043617521 GD Annotated Reactive CC1(C)CN1P(=O)(NC(=O)OCCn1ccnc1[N+](=O)[O-])N1CC1(C)C ZINC000043676742 GD Annotated Reactive CC1(C)CN1P(=O)(NC(=O)NCCn1ccnc1[N+](=O)[O-])N1CC1(C)C ZINC000043705823 GD Annotated Reactive CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@@H]21 ZINC000043883846 GD Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@H]12 ZINC000043883849 GD Annotated Anodyne COC(=O)C1=C(c2c(C)cc(OC)c(OC)c2OC)C(=O)C(OC)=CC1=O ZINC000044405672 GD Annotated Mild COc1cc(/C=C/C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC#N ZINC000004524682 GD Annotated Mild O=C(NCCO)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533673 GD Annotated Anodyne O=C(NCCO)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533674 GD Annotated Anodyne O=C(NCCO)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533675 GD Annotated Anodyne O=C(NCCO)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533676 GD Annotated Anodyne O=C(NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1cccs1 ZINC000004535010 GD Annotated Anodyne O=C(NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1cccs1 ZINC000004535011 GD Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCCC3)cc2c1 ZINC000004537587 GD Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCCC3)cc2c1 ZINC000004537590 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546005 GD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546007 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546009 GD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546012 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccnc2SC)C1 ZINC000004546190 GD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccnc2SC)C1 ZINC000004546193 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccnc2SC)C1 ZINC000004546195 GD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccnc2SC)C1 ZINC000004546200 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004546482 GD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004546485 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004546488 GD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004546491 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546775 GD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546780 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546785 GD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546789 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2ccco2)C1 ZINC000004547315 GD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2ccco2)C1 ZINC000004547323 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2ccco2)C1 ZINC000004547326 GD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(C)=O)C2)N(C(=O)c2ccco2)C1 ZINC000004547329 GD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004547451 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cnccn2)C1 ZINC000004547673 GD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cnccn2)C1 ZINC000004547680 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cnccn2)C1 ZINC000004547682 GD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2cnccn2)C1 ZINC000004547684 GD Annotated Anodyne N#CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000004547814 GD Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000004547817 GD Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000004547820 GD Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000004547822 GD Annotated Mild O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOC2 ZINC000004566153 GD Annotated Anodyne O=C1C[C@@H](n2nnn(-c3ccc(OC(F)(F)F)cc3)c2=S)[C@@H]2CO[C@H]1O2 ZINC000004580744 GD Annotated Anodyne O=C1C[C@H](n2nnn(-c3ccc(OC(F)(F)F)cc3)c2=S)[C@@H]2CO[C@H]1O2 ZINC000004580745 GD Annotated Anodyne O=C(O)[C@H]1N[C@@H](c2cc(Cl)ccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000004598004 GD Annotated Clean O=C(O)[C@H]1N[C@H](c2cc(Cl)ccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000004598006 GD Annotated Clean O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCC2(CC1)OCCO2 ZINC000004598462 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cccnc2SC)C1 ZINC000004612094 GD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cccnc2SC)C1 ZINC000004612095 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cccnc2SC)C1 ZINC000004612097 GD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cccnc2SC)C1 ZINC000004612098 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccccc2OC)C1 ZINC000004612128 GD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccccc2OC)C1 ZINC000004612129 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccccc2OC)C1 ZINC000004612130 GD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccccc2OC)C1 ZINC000004612131 GD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2cnccn2)C1 ZINC000004612143 GD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2cnccn2)C1 ZINC000004612144 GD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2cnccn2)C1 ZINC000004612145 GD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2cnccn2)C1 ZINC000004612146 GD Annotated Anodyne COC(=O)[C@H]1c2cc3c(c(O)c2C(=O)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O ZINC000004654739 GD Annotated Clean in-vitro COC(=O)[C@@H]1c2cc3c(c(O)c2C(=O)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O ZINC000004654740 GD Annotated Clean in-vitro COC(=O)Cc1cc2c(c(O)c1C(=O)C[C@H](C)O)C(=O)c1c(O)cccc1C2=O ZINC000004654741 GD Annotated Clean in-vitro COC(=O)Cc1cc2c(c(O)c1C(=O)C[C@@H](C)O)C(=O)c1c(O)cccc1C2=O ZINC000004654742 GD Annotated Clean in-vitro CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCC3)c(=O)c2c1 ZINC000004687642 GD Annotated Anodyne CC[C@@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000004687648 GD Annotated Anodyne CC[C@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000004687650 GD Annotated Anodyne CCCCc1c(OC)cc(O)c2c1C(=O)c1[nH]c(C(=O)O)c(O)c(=O)c1C2=O ZINC000004772320 GD Annotated Clean COCCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000004872589 GD Annotated Anodyne COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000004876087 GD Annotated Anodyne O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000004876289 GD Annotated Anodyne CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21 ZINC000004885279 GD Annotated Anodyne Cc1nc2n(n1)-c1nnc(CCCC(=O)N3CCOCC3)n1-c1ccccc1-2 ZINC000004906226 GD Annotated Anodyne Cc1nc2n(n1)-c1nnc(CCCC(=O)NC[C@@H]3CCCO3)n1-c1ccccc1-2 ZINC000004906255 GD Annotated Anodyne Cc1nc2n(n1)-c1nnc(CCCC(=O)NC[C@H]3CCCO3)n1-c1ccccc1-2 ZINC000004906263 GD Annotated Anodyne O=C1CN(c2nc3ccccc3n3cnnc23)CC(=O)N1CCc1ccccc1 ZINC000004910248 GD Annotated Anodyne CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000004917303 GD Annotated Anodyne CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000004917316 GD Annotated Anodyne Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)nc1 ZINC000004921772 GD Annotated Anodyne CCN(CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1 ZINC000004924394 GD Annotated Anodyne CCCCN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004935092 GD Annotated Anodyne CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O ZINC000004936477 GD Annotated Anodyne O/C(=N\C[C@@H]1CCCO1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1 ZINC000004937908 GD Annotated Mild O/C(=N\C[C@H]1CCCO1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1 ZINC000004937911 GD Annotated Mild Cc1ccc(S(=O)(=O)c2nnn(CC(=O)Nc3ccccc3C)c2N)cc1 ZINC000004940042 GD Annotated Anodyne CCOC(=O)c1sc2nc(CSc3nc(C)cc(=O)[nH]3)cc(=O)n2c1C ZINC000004951700 GD Annotated Anodyne CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3cccs3)ccc21 ZINC000004958954 GD Annotated Anodyne Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(-n3cnnn3)cc2)n1 ZINC000004968107 GD Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccco3)ccc21 ZINC000004971649 GD Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2ccc3nc4ccsc4c(=O)n3c2)CC1 ZINC000004971774 GD Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)NC2CCCCCC2)[C@@H]3C1=O ZINC000004991781 GD Annotated Anodyne C=CCN1C(=O)CN(S(=O)(=O)c2ccc(-n3nc(C)cc3C)cc2)C1=S ZINC000045190884 GD Annotated Mild Cc1nc2c(c3c1C(=O)C(Nc1ccc(O)cc1)=CC3=O)c(=O)n(C)c(=O)n2C ZINC000045245000 GD Annotated Mild CCN(CC)C(=O)c1c(N2CCN(CCO)CC2)c2cccnc2n2ccnc12 ZINC000045245719 GD Annotated Anodyne O=C1O[C@@H](Cn2sccc2=O)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000045245770 GD Annotated Anodyne O=C1O[C@H](Cn2sccc2=O)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000045245771 GD Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)C3CC3)CO[C@H]12 ZINC000045253209 GD Annotated Anodyne Cc1nc2c(c3c1C(=O)C(Nc1ccc(F)cc1)=CC3=O)c(=O)n(C)c(=O)n2C ZINC000045253550 GD Annotated Mild Cc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)c(=O)n(C)c(=O)n2C ZINC000045255970 GD Annotated Mild Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)C(Nc1ccc(F)cc1)=CC3=O ZINC000045256009 GD Annotated Mild O=c1ccc(N2CCNCC2)nn1CCOc1ccccc1Br ZINC000045257213 GD Annotated Anodyne COc1cc(C2=NCCN2)ccc1-n1cc(-c2cccc(C3=NCCN3)c2)nn1 ZINC000045257400 GD Annotated Anodyne COc1cc(C2=NCCN2)ccc1-n1cc(-c2ccc(C3=NCCN3)cc2)nn1 ZINC000045258769 GD Annotated Anodyne COc1ccc(NC(=O)CN[C@@H]2C=C[C@H](c3ccccc3)[C@H](O)[C@H]2CO)cc1 ZINC000045283535 GD Annotated Anodyne COc1ccc(C2=NCCN2)cc1-c1cn(-c2cccc(C3=NCCN3)c2)nn1 ZINC000045283603 GD Annotated Anodyne COc1cc(C2=NCCN2)ccc1-c1cn(-c2cccc(C3=NCCN3)c2)nn1 ZINC000045283605 GD Annotated Anodyne CCC(=O)N1C[C@@H]2c3cn[nH]c3C[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045284613 GD Annotated Anodyne CCC(=O)N1C[C@@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045284615 GD Annotated Anodyne CC(=O)N1C[C@@H]2c3cn[nH]c3C[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045285388 GD Annotated Anodyne CC(=O)N1C[C@@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045285391 GD Annotated Anodyne C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccncc3)CC2)c1O ZINC000045286328 GD Annotated Reactive COc1ccc(NC2=CC(=O)c3c(cnc4c3c(=O)n(C)c(=O)n4C)C2=O)cc1 ZINC000045287670 GD Annotated Mild COc1cc(C2=NCCN2)ccc1-c1cn(-c2ccc(C3=NCCN3)cc2)nn1 ZINC000045288083 GD Annotated Anodyne C[C@H]1COc2c(-c3cc4n(c3)CCNC4)c(F)cc3c2N1C[C@H](C(=O)O)C3=O ZINC000045289795 GD Annotated Anodyne C[C@H]1COc2c(-c3cc4n(c3)CCNC4)c(F)cc3c2N1C[C@@H](C(=O)O)C3=O ZINC000045289797 GD Annotated Anodyne COc1ccc(NC(=O)CN[C@H]2[C@H](CO)C=C[C@@H](c3ccccc3)[C@H]2O)cc1 ZINC000045291710 GD Annotated Anodyne C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3cccnc3)CC2)c1O ZINC000045300794 GD Annotated Reactive COc1ccc(C2=NCCN2)cc1-n1cc(-c2cccc(C3=NCCN3)c2)nn1 ZINC000045303343 GD Annotated Anodyne COc1ccc(-n2cc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nn2)cc1F ZINC000045315816 GD Annotated Bother COc1ccc(C2=NCCN2)cc1-c1cn(-c2ccc(C3=NCCN3)cc2)nn1 ZINC000045316673 GD Annotated Anodyne COc1ccc(C2=NCCN2)cc1-n1cc(-c2ccc(C3=NCCN3)cc2)nn1 ZINC000045316763 GD Annotated Anodyne N#Cc1ccoc1C(=O)N1CCN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CC1 ZINC000045317570 GD Annotated Mild COc1cc(-c2cn(-c3ccnc(N4CCOCC4)n3)cn2)cc(OC)c1O ZINC000045320111 GD Annotated Anodyne Cn1c(N)cc(-c2cccc(I)c2)c2c(=O)nc(N)nc1-2 ZINC000045323688 GD Annotated Anodyne COc1ccc2nc3cc(Cl)ccc3c(NCCNC[C@H](O)CO)c2n1 ZINC000045324869 GD Annotated Bother COc1ccc2nc3cc(Cl)ccc3c(NCCNC[C@@H](O)CO)c2n1 ZINC000045324872 GD Annotated Bother COC(=O)N1C[C@@H]2c3cn[nH]c3C[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045335025 GD Annotated Anodyne COC(=O)N1C[C@@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045335027 GD Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)O ZINC000045348306 GD Annotated Anodyne Cc1cc(S(C)(=O)=O)cc2c1NNC(C(N)=O)=C2Nc1cncc(F)c1 ZINC000045349245 GD Annotated Anodyne CCn1nccc1NC1=C(C(N)=O)NNc2c(C)cc(S(=O)(=O)CC)cc21 ZINC000045352482 GD Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)C(Nc1cncc(Cl)c1)=C(C(N)=O)NN2 ZINC000045352539 GD Annotated Anodyne CC(C)C[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)O ZINC000045353190 GD Annotated Anodyne CC(=O)c1ccc(-c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000045358520 GD Annotated Anodyne CC(=O)c1ccc(-c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000045358522 GD Annotated Anodyne CC(=O)c1ccc(-c2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000045358674 GD Annotated Anodyne CC(=O)c1ccc(-c2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000045358676 GD Annotated Anodyne Cn1c(C(=O)NCCS(=O)(=O)O)cc(Br)c1Br ZINC000045368443 GD Annotated Anodyne C/C=C1\C[N+]2([O-])[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 ZINC000045370291 GD Annotated Bother C/C=C1\C[N+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@H]1O ZINC000045370297 GD Annotated Bother COCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O ZINC000045384931 GD Annotated Anodyne CSCC[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)O ZINC000045386950 GD Annotated Anodyne CN1CC(C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2F)C1 ZINC000045387692 GD Annotated Anodyne Cc1cc(S(C)(=O)=O)cc2c1NNC(C(N)=O)=C2Nc1cccc(C#N)c1 ZINC000045391445 GD Annotated Mild COc1ccc2c(c1)NC(=O)[C@@]21C=C2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1C=C(C)C ZINC000045495541 GD Annotated Anodyne in-vitro C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=C)C(=C)[C@H]12 ZINC000045496071 GD Annotated Reactive C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)[C@](O)(CCl)[C@H]2[C@H]2OC(=C)C(=C)[C@H]12 ZINC000045496073 GD Annotated Reactive C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=C)C(=C)[C@H]12 ZINC000045496075 GD Annotated Reactive C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@H]2[C@H]2OC(=C)C(=C)[C@H]12 ZINC000045496077 GD Annotated Reactive COc1ccccc1NCCS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1 ZINC000045496093 GD Annotated Anodyne O=C(O)c1cn2c3c(c(N4CCC(O)CC4)c(F)cc3c1=O)OC[C@@H]2CF ZINC000473081780 GD Annotated Anodyne CCO[C@@H]1[C@@H]2C(=O)[C@@](O)(C[C@H](C)[C@@H]2O)/C(C)=C\[C@@H]2[C@H](CC[C@@]1(O)CO)C2(C)C ZINC000473082286 GD Annotated Anodyne O=C(O)C(=O)Nc1ccc(NC(=O)[C@@H](c2ccccc2)S(=O)(=O)O)cc1 ZINC000473083181 GD Annotated Anodyne O=C(O)C(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)S(=O)(=O)O)cc1 ZINC000473083183 GD Annotated Anodyne O=C(O)CN(Cc1ccc(C(=O)O)cc1)Cc1ccc(C(=O)O)c(C(=O)O)c1 ZINC000473083667 GD Annotated Anodyne CO[C@@H]1[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](O)[C@@H]2[C@H]2O[C@@]2(CO)CC[C@H]2[C@@H]1C2(C)C ZINC000473085449 GD Annotated Anodyne CN1CC[C@H](c2cc(N=c3ccnc(NC[C@@H]4CC[C@@H](N)CC4)[nH]3)n[nH]2)C1=O ZINC000473087253 GD Annotated Anodyne CN(Cc1cccnc1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473087414 GD Annotated Anodyne O=C(NNC(=O)[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccncc1)c1ccncc1 ZINC000473089128 GD Annotated Reactive O=C(NNC(=O)[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccco1)c1ccncc1 ZINC000473089789 GD Annotated Reactive COc1cc([C@@H]2Oc3c(OC)cc(C(=O)[C@H](O)CO)cc3[C@H]2CO)ccc1O ZINC000473089904 GD Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(C(=O)[C@@H](O)CO)cc3[C@@H]2CO)ccc1O ZINC000473089905 GD Annotated Anodyne NC(=O)c1ccc(CN(CC(=O)O)Cc2ccc(C(=O)O)c(C(=O)O)c2)cc1 ZINC000473090474 GD Annotated Anodyne O=C1N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1C[C@H](O)CN1CCNCC1 ZINC000473090569 GD Annotated Anodyne O=C1N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1C[C@@H](O)CN1CCNCC1 ZINC000473090570 GD Annotated Anodyne CN1CC[C@H](c2cc(N=c3ccnc(N(C)C[C@@H]4CC[C@@H](N)CC4)[nH]3)n[nH]2)C1=O ZINC000473096459 GD Annotated Anodyne CCn1cc(C(=O)NN=c2[nH]c3ccccc3[nH]c2=O)c(=O)c2ccc(C)nc21 ZINC000473099453 GD Annotated Reactive O=C(NO)c1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3S2(=O)=O)cc1 ZINC000473107062 GD Annotated Bother Cc1cc(=Nc2cc(N3CCN(C)CC3)nc(Oc3cccc(N)c3)n2)[nH][nH]1 ZINC000473108276 GD Annotated Anodyne CN(C)CCCNC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O ZINC000473112286 GD Annotated Clean O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCn1ccnc1)c1ccccn21 ZINC000473112649 GD Annotated Clean O=C(CN1CCCCC1)N[C@@]1(CO)CSC2=C1C(=O)c1ccccc1C2=O ZINC000473113190 GD Annotated Mild O=C(CN1CCCCC1)N[C@]1(CO)CSC2=C1C(=O)c1ccccc1C2=O ZINC000473113191 GD Annotated Mild NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@@]2(O)C(F)(F)F)cc1 ZINC000473113342 GD Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@]2(O)C(F)(F)F)cc1 ZINC000473113343 GD Annotated Anodyne O=C(Nc1ccc(NC2=NCCN2)c(F)c1)c1ccc(NC2=NCCN2)cc1 ZINC000473114332 GD Annotated Anodyne Cc1cc2c(-c3cncc(C(N)=O)c3)cnc(NC3CCNCC3)c2nc1O ZINC000473124668 GD Annotated Anodyne CCCN(CCCNC(=O)CCC(=O)O)CCc1cccc2c1CC(=O)N2 ZINC000473124795 GD Annotated Anodyne CCOC(=O)/C=C1\C(=O)C=C[C@]2(C)[C@@H]1CC[C@]13C[C@](O)(CO)[C@@](O)(CC[C@H]12)C3 ZINC000473127104 GD Annotated Mild C[C@H](C(=O)N1CCN(c2ccc(O)c(C(F)(F)F)c2)CC1)N1C(=O)CCC1=O ZINC000473127292 GD Annotated Anodyne C[C@@H](C(=O)N1CCN(c2ccc(O)c(C(F)(F)F)c2)CC1)N1C(=O)CCC1=O ZINC000473127293 GD Annotated Anodyne C[C@]12C[C@@]3(C(=O)NC[C@@H]3c3ccccc3)C(=O)N1[C@H](CO)Cc1ccccc12 ZINC000473128184 GD Annotated Anodyne C[C@]12C[C@@]3(C(=O)NC[C@H]3c3ccccc3)C(=O)N1[C@H](CO)Cc1ccccc12 ZINC000473128185 GD Annotated Anodyne C[C@]12C[C@]3(C(=O)NC[C@@H]3c3ccccc3)C(=O)N1[C@H](CO)Cc1ccccc12 ZINC000473128186 GD Annotated Anodyne C[C@]12C[C@]3(C(=O)NC[C@H]3c3ccccc3)C(=O)N1[C@H](CO)Cc1ccccc12 ZINC000473128187 GD Annotated Anodyne CC(=O)OCC1=C2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)C2=C(O)C(=O)C1 ZINC000473129032 GD Annotated Mild C=C/C(C)=C/C[C@]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](O)O[C@H]3O ZINC000473134104 GD Annotated Anodyne CC(=O)N1CCC(c2nc(N3CCN(C)CC3)ncc2-c2cc(C)no2)CC1 ZINC000473134321 GD Annotated Anodyne CN=c1[nH]c2c(cc(C(=O)N(C3CC3)C3CC3)n2C[C@@H](C)O)c2c1ncn2C ZINC000473135059 GD Annotated Anodyne Cc1nnnn1-c1cccc(Nc2ncc(F)c(=NC[C@@H]3CCCN(C)C3)[nH]2)c1 ZINC000473135329 GD Annotated Anodyne CN=c1[nH]c2c(cc(C(=O)N(C3CC3)C3CC3)n2CCCO)c2c1ncn2C ZINC000473135530 GD Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1 ZINC000473146002 GD Annotated Anodyne COC(=O)[C@@]12CCC[C@@]3([C@H]4C[C@@]5(O)OC(=O)C=C5[C@H](C)[C@@H]4CC[C@@H]13)[C@H](O)OC2 ZINC000473147861 GD Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1cccc(C(N)=O)c1 ZINC000473148563 GD Annotated Anodyne C[C@@H]1CC[C@H]2[C@]3(C[C@@H]4COCCN4O3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000473150934 GD Annotated Reactive CN1CCN(c2nc(/C=C/c3cccc(Br)c3)nc(=N)[nH]2)CC1 ZINC000473154229 GD Annotated Anodyne O=C(NCCBr)c1c(NCCO)cc(-c2cccs2)oc1=O ZINC000473154264 GD Annotated Reactive COc1cc(CN=c2nn[nH][nH]2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000473154265 GD Annotated Bother Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(C#N)n1 ZINC000473154466 GD Annotated Mild Cn1cc(NC(=O)c2ccc3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]n23)c(C#N)n1 ZINC000473154914 GD Annotated Mild Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCNC4)nn23)c(C(F)F)n1 ZINC000473154952 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2 ZINC000473156237 GD Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]c23)c(Cl)n1 ZINC000473157258 GD Annotated Anodyne C=CCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2ON=C(Br)[C@@H]2C1 ZINC000473158139 GD Annotated Mild C=CCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2ON=C(Br)[C@H]2C1 ZINC000473158140 GD Annotated Mild C=CCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2C(Br)=NO[C@H]2C1 ZINC000473158141 GD Annotated Mild C=CCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2ON=C(Br)[C@@H]2C1 ZINC000473158142 GD Annotated Mild Cn1cc(NC(=O)c2ccc3ccc(=N[C@@H]4CCCNC4)[nH]n23)c(C(F)F)n1 ZINC000473158176 GD Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)C#CCCO ZINC000473179082 GD Annotated Mild Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2cnccn2)C3)n1 ZINC000473180313 GD Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccnn2C)C3)n1 ZINC000473180458 GD Annotated Anodyne Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2CCO3)no1 ZINC000473183046 GD Annotated Mild CC(C)C[C@@H]1C(=O)N([C@H](CCOCO)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197883 GD Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@@H](CCOCO)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197884 GD Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@@H](CCOCO)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197885 GD Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](CCOCO)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197886 GD Annotated Anodyne CCOc1ccc(-c2ccc(C(=O)N(C)[C@](C)(C(=O)NC)C(=O)NO)cc2)cc1 ZINC000473227448 GD Annotated Bother Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2C)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000473236488 GD Annotated Mild C[C@H]1COc2c(CN3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000473243803 GD Annotated Anodyne C[C@H](CO)N=c1[nH]c(Nc2ccc([S@](N)=O)cc2)ncc1Br ZINC000474609831 GD Annotated Anodyne C[C@H](CO)N=c1[nH]c(Nc2ccc([S@@](N)=O)cc2)ncc1Br ZINC000474609832 GD Annotated Anodyne O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(N2CCOCC2)nc1 ZINC000048998236 GD Annotated Anodyne Cc1c2cc[n+]([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccccc12 ZINC000048999447 GD Annotated Bother Cc1c2cc[n+]([C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccccc12 ZINC000048999449 GD Annotated Bother CC(=O)O[C@H]1[C@@H]2[C@@H]3C[C@@]14C(=[N+](C)c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N+]13[O-] ZINC000049033254 GD Annotated Bother C[C@@]1(CO)CCC[C@]2(C)[C@H]3C[C@@]45O[C@@H]4C(=O)[C@]4(CO)O[C@@H]4[C@]5(O)CC3=CC[C@@H]12 ZINC000049035070 GD Annotated Anodyne O=S(=O)(c1ccccc1)c1cnn2c(N3CCNCC3)c3c(nc12)CCC3 ZINC000049035902 GD Annotated Anodyne CCCNC(=S)NCCCNCCCNCCCNC(=S)NCCC ZINC000049036453 GD Annotated Anodyne N#Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(CCN2CCCCC2)c1=O ZINC000049036682 GD Annotated Mild COC(=O)c1nc(Sc2ccccc2OC)n(COCCOC(C)=O)n1 ZINC000049037638 GD Annotated Anodyne COC(=O)c1nc(Sc2cccc(OC)c2)n(COCCOC(C)=O)n1 ZINC000049045467 GD Annotated Anodyne COC(=O)c1nc(Sc2ccc(OC)cc2)n(COCCOC(C)=O)n1 ZINC000049045488 GD Annotated Anodyne CN(C)CCN1C(=O)CC[C@H](N2C(=O)c3cccc4cc(N)cc(c34)C2=O)C1=O ZINC000049046662 GD Annotated Anodyne CN(C)CCN1C(=O)CC[C@@H](N2C(=O)c3cccc4cc(N)cc(c34)C2=O)C1=O ZINC000049046666 GD Annotated Anodyne c1cc(C2NCCN2)ccc1OCCOCCOc1ccc(C2NCCN2)cc1 ZINC000049048153 GD Annotated Anodyne CO/N=C(\N)c1ccc(-c2cnc(-c3ccc(/C(N)=N\OC)nc3)s2)cn1 ZINC000049049110 GD Annotated Mild C[C@@]1(CO)CCC[C@]2(C)[C@@H](C[C@@]34O[C@@H]3C(=O)[C@]3(CO)O[C@@H]3C4=O)CCC[C@@H]12 ZINC000049053003 GD Annotated Anodyne NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(c2ccccc2)=C(c2ccccc2)C1=O ZINC000049053548 GD Annotated Anodyne NC(=O)CC[C@H](C(=O)O)N1C(=O)C(c2ccccc2)=C(c2ccccc2)C1=O ZINC000049053551 GD Annotated Anodyne COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c(O)c(OC)c1 ZINC000049068158 GD Annotated Reactive COc1ccc2c3c([nH]c2c1)[C@H](C(C)(C)O)N1C[C@@H]2CCCN2C[C@@]1(O)[C@H]3O ZINC000049068222 GD Annotated Anodyne C[C@@H](CO)Nc1nccc(N(CCCCN)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000049069163 GD Annotated Anodyne COC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)C(C)(C)[C@@]2(O)C#CCCCCO ZINC000049070662 GD Annotated Mild CCN(C)C(=O)c1nn(CC)c(=O)c2nn(-c3cccc([N+](=O)[O-])c3)c(C)c12 ZINC000049070739 GD Annotated Bother COc1ccc2c(c1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@]4(OC)[C@@H](OC)[C@@H](O)C3 ZINC000049088413 GD Annotated Anodyne in-vivo N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(COc2ccccc2)CC1 ZINC000049089170 GD Annotated Mild COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000049109639 GD Annotated Mild CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@@]34CCN(C(=O)[C@@H]3O[C@@H]31)[C@@H]24 ZINC000049110652 GD Annotated Anodyne COCCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1cccc(F)c1 ZINC000049110970 GD Annotated Anodyne CN(C)CCN1C(=O)CC[C@H](N2C(=O)c3ccc4ccccc4c3C2=O)C1=O ZINC000049111847 GD Annotated Anodyne CN(C)CCN1C(=O)CC[C@@H](N2C(=O)c3ccc4ccccc4c3C2=O)C1=O ZINC000049111849 GD Annotated Anodyne CN(C)c1ccc(Cn2c3ccccc3n3c(=O)c(=O)n(CC(=O)O)nc23)cc1 ZINC000049111867 GD Annotated Clean NS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000049112191 GD Annotated Anodyne CNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(=O)NC ZINC000049112330 GD Annotated Anodyne CNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(=O)NC ZINC000049112331 GD Annotated Anodyne COC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)C(C)(C)[C@@]2(O)C#Cc1ccccc1 ZINC000049112553 GD Annotated Mild O=[N+]([O-])c1cc(-c2nc(N3CCN(c4ccccn4)CC3)no2)cc(O)c1O ZINC000049112605 GD Annotated Clean CN1CCC(=O)[C@]2(CCN(C)[C@]23C(=O)Nc2ccc(Br)cc23)C1 ZINC000049113041 GD Annotated Anodyne CN1CCC(=O)[C@@]2(CCN(C)[C@]23C(=O)Nc2ccc(Br)cc23)C1 ZINC000049113042 GD Annotated Anodyne CC(C)NC(=O)[C@@H]1N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]2SC1(C)C ZINC000049113203 GD Annotated Anodyne COCCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1 ZINC000049114129 GD Annotated Anodyne CC(=O)N1C[C@@H](Oc2ccccn2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1 ZINC000049114477 GD Annotated Anodyne CN1CC[C@]2(CN(N=O)CCC2=O)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000049115112 GD Annotated Anodyne CN1CC[C@@]2(CN(N=O)CCC2=O)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000049115116 GD Annotated Anodyne COC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)C(C)(C)[C@@]2(O)CCCCCCO ZINC000049125134 GD Annotated Anodyne CC(C)[C@@H]1C(=O)N[C@](O)(Cc2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3 ZINC000049181416 GD Annotated Anodyne CC(C)[C@H]1C(=O)N[C@](O)(Cc2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3 ZINC000049181419 GD Annotated Anodyne CC(C)[C@@H]1C(=O)N[C@@](O)(Cc2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3 ZINC000049181422 GD Annotated Anodyne CC(C)[C@H]1C(=O)N[C@@](O)(Cc2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3 ZINC000049181423 GD Annotated Anodyne CNP1(N2CC2)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1 ZINC000049588945 GD Annotated Anodyne NC(=O)CNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049695338 GD Annotated Reactive O=CNCC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049745597 GD Annotated Reactive O=C1CN(C(=O)C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CCN1 ZINC000049781298 GD Annotated Reactive CCOC(=O)c1nn(CC)c(=O)c2nn(Cc3ccc(C(=O)OC)cc3)c(C)c12 ZINC000049784875 GD Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N+]13[O-] ZINC000049792837 GD Annotated Bother CO/N=C(\N)c1ccc(-c2cnc(-c3ccc(/C(N)=N\OC)cn3)s2)nc1 ZINC000049793007 GD Annotated Mild CC(=O)N[C@H]1CCN(c2c(N)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)C1 ZINC000049799821 GD Annotated Anodyne CC(=O)N[C@@H]1CCN(c2c(N)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)C1 ZINC000049799822 GD Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)ccc2N)SC[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 ZINC000049802632 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(COC(C)=O)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000049802923 GD Annotated Mild CCOC(=O)C[C@@H]1CS[C@@]2(c3ccccc3N)C(=O)N3CCC[C@H]3C(=O)N12 ZINC000049803844 GD Annotated Anodyne CC1(C)[N+]([O-])=c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)cc2=[N+]1[O-] ZINC000049808473 GD Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4nccs4)CC3)cc21 ZINC000049817223 GD Annotated Anodyne Cc1nc(Sc2nnc3c4ccccc4n(C)c3n2)nc(N2CCOCC2)n1 ZINC000049820493 GD Annotated Anodyne CS(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CNCCN2c2ccccc2)cc1 ZINC000049925386 GD Annotated Anodyne CS(=O)(=O)Nc1ccc(C(=O)NC[C@H]2CNCCN2c2ccccc2)cc1 ZINC000049925387 GD Annotated Anodyne Cc1ccc2c(c1)O[C@H]1[C@H](NC(=O)CCN3CCN(C)CC3)C(=O)CC[C@@]21C ZINC000000538425 GD Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCNCC5)c1c4n23 ZINC000000576956 GD Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CC[C@H](O)C5)c1c4n23 ZINC000000576963 GD Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CC[C@H](N)C5)c1c4n23 ZINC000000576966 GD Annotated Anodyne O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1nc3ccccc3s1)C(=O)c1ccccc12 ZINC000000587142 GD Annotated Anodyne O=C1[C@H]2CCCN2C(=O)CN1CN1CCN(c2cccc3ccccc23)CC1 ZINC000000595350 GD Annotated Anodyne COc1c2nc(CCl)n(C)c(=O)c2c(OC)c2nc(CCl)n(C)c(=O)c12 ZINC000000598559 GD Annotated Reactive COc1cc(OC)nc(-n2ncc(Br)c(Br)c2=O)n1 ZINC000000632501 GD Annotated Anodyne NS(=O)(=O)c1cc2c(cc1Cl)N[C@H]([C@@H]1C[C@@H]3C=C[C@H]1C3)NS2(=O)=O ZINC000000642979 GD Annotated Anodyne O=C1C=CC(=O)C(C2=C3C(=O)N(CCc4ccccc4)CC(=O)N3CCC2)=C1 ZINC000000653357 GD Annotated Mild COc1cc(-n2nnn([C@H]3CC(=O)[C@H]4OC[C@@H]3O4)c2=S)c(OC)cc1Cl ZINC000000720299 GD Annotated Anodyne O=C(NC(=S)N1CCOCC1)c1ccccc1C(=O)OCC(F)(F)F ZINC000000756498 GD Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@H]1CCCO1)c1cc(C(N)=O)ccc1O2 ZINC000000763351 GD Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@H]1CCCO1)c1cc(C(N)=O)ccc1O2 ZINC000000763352 GD Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@@H]1CCCO1)c1cc(C(N)=O)ccc1O2 ZINC000000763353 GD Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@@H]1CCCO1)c1cc(C(N)=O)ccc1O2 ZINC000000763354 GD Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)c(OC)c1 ZINC000000777249 GD Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)c(OC)c1 ZINC000000777250 GD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H](C)CO ZINC000000785010 GD Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000000786157 GD Annotated Anodyne CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1 ZINC000000795891 GD Annotated Anodyne CC(=O)O[C@H]1CO[C@H](N2CCc3ccccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000000823411 GD Annotated Anodyne C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000000832714 GD Annotated Bother O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1)c1ccccc1 ZINC000000854154 GD Annotated Anodyne COc1cc(-n2nnn([C@@H]3CC(=O)[C@H]4OC[C@@H]3O4)c2=S)c(OC)cc1Cl ZINC000000974329 GD Annotated Anodyne CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccc2nsnc12 ZINC000005012709 GD Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)C1 ZINC000005013220 GD Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)C1 ZINC000005013226 GD Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)C1 ZINC000005013231 GD Annotated Anodyne CC1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000005035716 GD Annotated Anodyne CCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)NCc3cccs3)ccc21 ZINC000005035743 GD Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000005036208 GD Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000005036210 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000005037433 GD Annotated Mild in-vitro biogenic CCCCN(C)C(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O ZINC000005042279 GD Annotated Anodyne CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000005042374 GD Annotated Anodyne CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000005042400 GD Annotated Anodyne aggregator C=C1C(=O)O[C@@H]2C[C@H](C)CCC/C(CO)=C/[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12 ZINC000005053018 GD Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](C)CCC/C(CO)=C/[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12 ZINC000005053019 GD Annotated Mild C/C(=N\CCO)C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Br)cc1 ZINC000005053498 GD Annotated Mild C/C(=N\CCO)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Br)cc1 ZINC000005053501 GD Annotated Mild Cn1c(=O)cc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21 ZINC000005066572 GD Annotated Anodyne CN(C/C(O)=N/c1nccs1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000005068401 GD Annotated Mild COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O ZINC000005076126 GD Annotated Anodyne COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O ZINC000005076127 GD Annotated Anodyne COC(=O)[C@H](C)n1c(=O)c2c(nc3n(Cc4ccccc4)c(C)cn23)n(C)c1=O ZINC000005076278 GD Annotated Anodyne COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(Cc4ccccc4)c(C)cn23)n(C)c1=O ZINC000005076279 GD Annotated Anodyne Cc1nn(CC(=O)NCCCN2CCCC2=O)c(=O)c2cc3sccc3n12 ZINC000005108747 GD Annotated Anodyne CNCCNc1ccc(NCCNC)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000005115473 GD Annotated Clean CC(C)C(=O)Nc1nc(O)c2c(n1)N[C@H](C)[C@H](C)N2C(=O)c1ccc[n+](C)c1 ZINC000005130509 GD Annotated Anodyne CC(C)C(=O)Nc1nc(O)c2c(n1)N[C@@H](C)[C@H](C)N2C(=O)c1ccc[n+](C)c1 ZINC000005130510 GD Annotated Anodyne CC(C)C(=O)Nc1nc(O)c2c(n1)N[C@H](C)[C@@H](C)N2C(=O)c1ccc[n+](C)c1 ZINC000005130511 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12 ZINC000005132529 GD Annotated Anodyne O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCCC1 ZINC000005152030 GD Annotated Anodyne CC(=O)CC[C@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@@H]1O ZINC000005159667 GD Annotated Clean in-vitro C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000005166663 GD Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@H](OC(C)=O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000005166733 GD Annotated Mild O=C(CCNS(=O)(=O)c1ccccc1)OCc1nc2ccsc2c(=O)[nH]1 ZINC000005174019 GD Annotated Anodyne COC1=C[C@@H]2C3=C([C@H]2C1=O)[C@H](NC=O)CCc1cc(OC)c(OC)c(OC)c13 ZINC000005202363 GD Annotated Mild COC1=C[C@@H]2C3=C([C@@H](NC=O)CCc4cc(OC)c(OC)c(OC)c43)[C@@H]2C1=O ZINC000005202367 GD Annotated Mild C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000005389950 GD Annotated Bother COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000005492947 GD Annotated Mild CCCCC[C@H](O)[C@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCCNCCCN21 ZINC000005493453 GD Annotated Anodyne CC(=O)O[C@@H]1CO[C@H](Nc2ccc(C(C)=O)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005498788 GD Annotated Anodyne CC(=O)O[C@@H]1[C@@H](Nc2ccc(C(C)=O)cc2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005498789 GD Annotated Anodyne CC(=O)O[C@@H]1[C@H](Nc2ccc(C(C)=O)cc2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005498791 GD Annotated Anodyne C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)C3=C[C@@H](O)OC3)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12 ZINC000523041514 GD Annotated Mild C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)C3=C[C@H](O)OC3)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12 ZINC000523041515 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@]12O[C@H]3O ZINC000523041584 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@]12O[C@@H]3O ZINC000523041586 GD Annotated Mild C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)C3=C[C@@H](OC)OC3)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12 ZINC000523041754 GD Annotated Mild C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)C3=C[C@H](OC)OC3)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12 ZINC000523041765 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C(=O)[C@@H](C)CCC[C@](C)(O)[C@H]2OC(=O)/C=C(\C)CC ZINC000523042013 GD Annotated Mild biogenic C/C1=C/[C@H]2OC(=O)[C@@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)[C@@]1(C)O[C@@H]1C ZINC000523042448 GD Annotated Mild C/C1=C/[C@H]2OC(=O)[C@@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)[C@@]1(C)O[C@H]1C ZINC000523042449 GD Annotated Mild C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@H](C)[C@H](OC)[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000523042468 GD Annotated Mild CN1CCN(CC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@@H]3[C@@H]2F)CC1 ZINC000052996813 GD Annotated Mild CN1CCN(CC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@H]3[C@@H]2F)CC1 ZINC000052996814 GD Annotated Mild CN1CCN(CC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@@H]3[C@H]2F)CC1 ZINC000052996815 GD Annotated Mild CN1CCN(CC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@H]3[C@H]2F)CC1 ZINC000052996816 GD Annotated Mild N=C(N)Nc1ccc(N2CCN(c3ccc(NC4=NCCN4)cc3)CC2)cc1 ZINC000053224529 GD Annotated Anodyne CC(=O)Nc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3[nH]cnc23)cc1 ZINC000053226439 GD Annotated Anodyne O=C(Nc1n[nH]c2c1CN(C(=O)c1ccccn1)C2)c1ccc2c(c1)OCO2 ZINC000053276591 GD Annotated Anodyne O=S(=O)(CC1=NCCO1)c1c[nH]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000053293683 GD Annotated Anodyne O=[N+]([O-])c1ccc(Nc2nc(N3CCN(CCO)CC3)nc3[nH]cnc23)cc1 ZINC000053313077 GD Annotated Bother Nn1c(SCC(=O)O)nnc1-c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000053314023 GD Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000053370516 GD Annotated Anodyne O=C(NCc1ccc(-c2ccccc2)cc1)[C@@H]1O[C@H]2CN(C(=O)NO)C[C@@H]1O2 ZINC000053683784 GD Annotated Anodyne in-vivo CCc1cc(N(C)C)cc2nc(-[c-]3cccnc3=[N+]3CCN(C)CC3)oc(=O)c12 ZINC000053684773 GD Annotated Anodyne CC(=O)NC1=C(C)C(=O)c2c(nc3n2CC[C@@H]3OC(=O)c2ccccc2)C1=O ZINC000005501332 GD Annotated Mild CO[C@]12CC(=O)C(C(C)=O)=C(O)[C@@]1(C)c1c(O)c(C)c(O)c(C(C)=O)c1O2 ZINC000005503765 GD Annotated Mild CO[C@@]12CC(=O)C(C(C)=O)=C(O)[C@@]1(C)c1c(O)c(C)c(O)c(C(C)=O)c1O2 ZINC000005503766 GD Annotated Mild CO[C@]12CC(=O)C(C(C)=O)=C(O)[C@]1(C)c1c(O)c(C)c(O)c(C(C)=O)c1O2 ZINC000005503768 GD Annotated Mild CO[C@@]12CC(=O)C(C(C)=O)=C(O)[C@]1(C)c1c(O)c(C)c(O)c(C(C)=O)c1O2 ZINC000005503770 GD Annotated Mild Cc1ccc(NC(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000005517023 GD Annotated Bother CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2c(O)n[nH]c2C[C@@]1(O)OCC ZINC000005543754 GD Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)c2c(O)n[nH]c2C[C@@]1(O)OCC ZINC000005543755 GD Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)c2c(O)n[nH]c2C[C@@]1(O)OCC ZINC000005543760 GD Annotated Anodyne C=CCOc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OC)cc1OC ZINC000005543771 GD Annotated Mild C=CCOc1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@H]2C(=O)OC)cc1OC ZINC000005543772 GD Annotated Anodyne C=CCOc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OC)cc1OC ZINC000005543775 GD Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)c2c(O)n[nH]c2C[C@@]1(O)OCC ZINC000005543790 GD Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)c2c(O)n[nH]c2C[C@@]1(O)OCC ZINC000005543791 GD Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2c(O)n[nH]c2C[C@@]1(O)OCC ZINC000005543792 GD Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2c(O)n[nH]c2C[C@@]1(O)OCC ZINC000005543793 GD Annotated Anodyne COc1nc(O)nc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(OC)nc(O)nc1O2 ZINC000005544449 GD Annotated Bother CN(C)CCNc1ccc(NCCNCCO)c2c1C(=O)c1ccccc1C2=O ZINC000005545068 GD Annotated Clean CN(C)CCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O ZINC000005549530 GD Annotated Bother NS(=O)(=O)c1ccc(/N=C2\NC[C@H](CI)S2)cc1 ZINC000005580650 GD Annotated Reactive N#Cc1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000005582866 GD Annotated Mild O=c1[nH]/c(=C/c2ccc(OCc3ccccc3)cn2)c(=O)[nH]/c1=C/c1cccnc1 ZINC000005596847 GD Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1CC(=O)[C@@]2(C)C[C@H]3[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@]3(O)CO ZINC000005598974 GD Annotated Anodyne CC(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F ZINC000005602016 GD Annotated Anodyne CC(=O)NNC1=NN(C(C)=O)[C@@]2(S1)C(=O)Nc1ccc(Br)cc12 ZINC000005602317 GD Annotated Reactive Cc1ccccc1-n1c(C)nnc1SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000005619542 GD Annotated Anodyne Nc1c(C=C2C=CC(=O)C=C2)c(=O)nc2sc(CC(=O)N3CCCCC3)nn12 ZINC000005624776 GD Annotated Mild CC(=O)OCCOCNC(=S)N/N=C/c1cc(Br)cs1 ZINC000005663958 GD Annotated Mild CC(=O)OCCOCNC(=S)N/N=C/c1ccc(Br)s1 ZINC000005663965 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(COC(C)=O)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000005664192 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(COC(C)=O)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000005664335 GD Annotated Mild in-vitro biogenic CCOC(=O)C1=C(COC(=O)/C=C/c2ccc(O)c(OC)c2)NC(=O)N[C@@H]1C ZINC000005666101 GD Annotated Anodyne CCOC(=O)C1=C(COC(=O)/C=C/c2ccc(O)c(OC)c2)NC(=O)N[C@H]1C ZINC000005666105 GD Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000005684098 GD Annotated Anodyne COC(=O)C1=C(C)N(NC(=O)c2cccc(Cl)c2)[C@](C)(O)[C@]12CCOC2=O ZINC000005723323 GD Annotated Anodyne COC(=O)C1=C(C)N(NC(=O)c2cccc(Cl)c2)[C@@](C)(O)[C@]12CCOC2=O ZINC000005723325 GD Annotated Anodyne COC(=O)C1=C(C)N(NC(=O)c2cccc(Cl)c2)[C@@](C)(O)[C@@]12CCOC2=O ZINC000005723326 GD Annotated Anodyne Cc1cc(C)c(-n2c(O)c(/C=N/NC(=O)c3ccncc3)c(=O)[nH]c2=O)c(C)c1 ZINC000005732232 GD Annotated Reactive CCCN(CCC)c1c([N+](=O)[O-])cc(C(=O)N(CCO)CCO)cc1[N+](=O)[O-] ZINC000005733601 GD Annotated Bother CCNC(=S)NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1 ZINC000005734152 GD Annotated Reactive CC1=N[C@@]2(C(=O)O)[C@](C(F)(F)F)(O1)[C@]1(C(F)(F)F)OC(C)=N[C@]21C(=O)O ZINC000005757844 GD Annotated Anodyne CC1=N[C@]2(C(=O)O)[C@](C(F)(F)F)(O1)[C@]1(C(F)(F)F)OC(C)=N[C@]21C(=O)O ZINC000005757845 GD Annotated Anodyne CCCCC[C@H](O)[C@H](O)[C@H]1C=CC[C@@H]2CC(=O)NCCCCNCCCN21 ZINC000005820892 GD Annotated Anodyne CCOC(=O)[C@@]12CCC[C@]1(O)N(NC(=O)c1ccccc1)C(C)=C2C(=O)OC ZINC000005832267 GD Annotated Anodyne CCOC(=O)[C@@]12CCC[C@@]1(O)N(NC(=O)c1ccccc1)C(C)=C2C(=O)OC ZINC000005832331 GD Annotated Anodyne CCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000005832332 GD Annotated Clean NC1=NN(c2ccccc2)[C@]2(O)c3ccncc3C3=NN(c4ccccc4)C(=O)[C@@]132 ZINC000005833391 GD Annotated Anodyne CCOC(=O)[C@]12CCC[C@@]1(O)N(NC(=O)c1ccccc1)C(C)=C2C(=O)OC ZINC000005834841 GD Annotated Anodyne O=C(O)C[C@@H]1N[C@@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O ZINC000005835199 GD Annotated Anodyne O=C(O)C[C@@H]1N[C@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O ZINC000005835206 GD Annotated Anodyne O=C(O)CC[C@@H]1N[C@@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O ZINC000005835345 GD Annotated Anodyne O=C(O)CC[C@@H]1N[C@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O ZINC000005835353 GD Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2CCN3C(=O)c4cc5c(cc4[C@@H]([C@H]23)[C@H]1OC(C)=O)OCO5 ZINC000005846616 GD Annotated Anodyne COC(=O)C1=CO[C@@H]2O[C@@H]3/C(=C\c4ccc(O)c(OC)c4)C(=O)O[C@]34C=C[C@@H]1[C@H]24 ZINC000005848624 GD Annotated Anodyne COc1c(O)c2c3c(c(C)cc(O)c3c1O)C(=O)[C@@](O)(C(C)(C)C(C)=O)C2=O ZINC000005850560 GD Annotated Anodyne CC(=O)C[C@H]1CCC(=O)/C=C/C(=O)O[C@@H](CC(C)=O)CCC(=O)/C=C/C(=O)O1 ZINC000005851332 GD Annotated Mild COc1cc(N2CCc3c4c(N)nc(N)[nH]c-4nc(=O)c3C2)cc(OC)c1OC ZINC000005853413 GD Annotated Clean COc1ccc(NCC(=O)N/N=C2\CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000005863490 GD Annotated Reactive CCCN1C(=O)/C(=C(/O)C(=O)OCC)[C@H](c2ccc(OC)c(OC)c2)C1=O ZINC000005882954 GD Annotated Anodyne CS(=O)(=O)c1nc(-c2cc3c(c(S(C)(=O)=O)n2)CCC3)cc2c1CCC2 ZINC000005929271 GD Annotated Anodyne C[C@H]1COc2c(N3C[C@@H]4CCCN[C@@H]4C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000005930136 GD Annotated Anodyne C=CCc1ccccc1[C@H]1C[C@@]2(C(=O)OC)O[C@@H]1C(C(=O)OC)=C2C(=O)OC ZINC000005940884 GD Annotated Mild C=CCc1ccccc1[C@@H]1C[C@@]2(C(=O)OC)O[C@@H]1C(C(=O)OC)=C2C(=O)OC ZINC000005940886 GD Annotated Mild C=CCOC(=O)[C@@H]1[C@@H]2O[C@]3(C(C(=O)OC)=C2C(=O)OC)c2ccccc2CC[C@@H]13 ZINC000005940891 GD Annotated Mild CC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000005954937 GD Annotated Clean in-vitro CC(C)C(=O)OCC(COC(=O)C(C)C)OCn1cnc2c(F)nc(N)nc21 ZINC000005962470 GD Annotated Anodyne CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H](O)c2nnc3ccc(Cl)nn23)O1 ZINC000005963761 GD Annotated Anodyne CC1(C)[C@@H](Cn2cc(I)c(=O)[nH]c2=O)CC[C@@]1(C)CO ZINC000005963914 GD Annotated Anodyne CCCC(=O)OCC(COC(=O)CCC)OCn1cnc2c(F)nc(N)nc21 ZINC000005972815 GD Annotated Anodyne CC1=Nc2nc(CCCO)nn2[C@@H](c2ccc(Br)cc2)[C@H]1C(N)=O ZINC000005975979 GD Annotated Anodyne CCOC(=O)C1=C(COC(=O)CCOc2ccccc2C)NC(=O)N[C@@H]1C ZINC000005989084 GD Annotated Anodyne CCOC(=O)C1=C(COC(=O)CCOc2ccccc2C)NC(=O)N[C@H]1C ZINC000005989086 GD Annotated Anodyne O=C1NC(=O)/C(=C2\CN(Cc3ccccn3)S(=O)(=O)c3ccccc32)S1 ZINC000005992647 GD Annotated Anodyne CCOC(=O)C1CCN(Cc2cnc(S(C)(=O)=O)n2CCCOC)CC1 ZINC000055036358 GD Annotated Anodyne Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCC(=O)N(C)C)C2)CC1 ZINC000055054274 GD Annotated Anodyne Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCC(=O)N(C)C)C2)CC1 ZINC000055054276 GD Annotated Anodyne COc1ccc(NC(C)(C)C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)cc1 ZINC000055099021 GD Annotated Anodyne Cc1cnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)cn1 ZINC000055107858 GD Annotated Anodyne Cc1cnc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)cn1 ZINC000055107860 GD Annotated Anodyne Cn1ncc(N2CCN(C(=O)[C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)CC2)cc1=O ZINC000055393515 GD Annotated Clean CCCCn1c(CN2CCNC(=O)[C@@H]2CC)cnc1S(=O)(=O)CC1CCC1 ZINC000055575786 GD Annotated Anodyne CCCCn1c(CN2CCNC(=O)[C@H]2CC)cnc1S(=O)(=O)CC1CCC1 ZINC000055575789 GD Annotated Anodyne CN(CC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 ZINC000055576097 GD Annotated Anodyne CN(CC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1 ZINC000055576099 GD Annotated Anodyne CN(C)CCCN1C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N=C1O ZINC000055652177 GD Annotated Mild Cn1c(S)nn2c(=N)c(C#N)c(-c3ccc(N4CCOCC4)cc3)c(C#N)c12 ZINC000055671741 GD Annotated Anodyne CCO[C@@H]1C[C@H]2[C@H](OC(=O)c3ccc(O)cc3)[C@@H]3O[C@]3(CO)[C@H]2[C@@H](OCC)O1 ZINC000056871307 GD Annotated Anodyne in-vitro CCC[C@@H]1C[C@H](C(=O)N[C@](C)(CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 ZINC000058486063 GD Annotated Anodyne CC[C@H](CO)N1CCN([C@H](CC)CO)C1OS(=O)(=O)c1ccc(C)cc1 ZINC000058492267 GD Annotated Anodyne CN1CC2=CCO[C@H]3CC(=O)N4c5ccccc5[C@]5(C[C@@H]1O)C(=O)C[C@@H]2[C@@H]3[C@H]45 ZINC000584879819 GD Annotated Anodyne O=C(O)CCC[C@H](O)/C=C\C=C\CC[C@H](O)C/C=C\CCCCC(O)(O)O ZINC000584879822 GD Annotated Anodyne O=C(O)CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCC(O)(O)O ZINC000584879860 GD Annotated Anodyne CO[C@@H](/C=C/C=C/CCOC(=O)[C@@H]1CCCNN1)[C@H](C)[C@@H](OC)[C@@H](C)C(=O)O ZINC000584905198 GD Annotated Anodyne COc1cc(C)c(C(=O)NS(C)(=O)=O)cc1-c1ccc(C#CCO)s1 ZINC000584905612 GD Annotated Mild O=S(=O)(c1ccc(O)cc1O)N1Cc2ccc(NC3CCNCC3)cc2C1 ZINC000584905679 GD Annotated Anodyne C[C@@H](O)[C@@H](C=O)[C@@H]1N=C(C(=O)O)[C@H](SCC(=O)OC2CCCCC2)[C@@H]1C ZINC000584905695 GD Annotated Mild COc1ccc(-n2nc(C)n(CCS(=O)(=O)c3ccccc3F)c2=O)cc1 ZINC000058506604 GD Annotated Anodyne CN(C)CCNc1nc(NCCN(C)C)nc(N2CCCc3ccccc32)n1 ZINC000058506732 GD Annotated Anodyne C[C@@H]1CN1C1=C(Br)C(=O)C(N2C[C@H]2C)=C(Br)C1=O ZINC000058523689 GD Annotated Anodyne COc1ccccc1NC(=O)N[C@@H](C)C(=O)N(CC(=O)NO)CC1CCCC1 ZINC000058534652 GD Annotated Bother CN1CCC(=O)[C@@]2(CCN(C)[C@@]23C(=O)Nc2ccc(Br)cc23)C1 ZINC000058541627 GD Annotated Anodyne O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@H]1C[C@]3(C=C(Br)[C@H]1O)CCN2 ZINC000058553411 GD Annotated Mild OC[C@H](O)CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1 ZINC000058558784 GD Annotated Anodyne CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](OC(C)=O)[C@]21CO1 ZINC000058575854 GD Annotated Anodyne CC(=O)OCC1=CO[C@@H](OC(C)=O)[C@H]2[C@@H]1C[C@H](OC(=O)CC(C)C)[C@]21CO1 ZINC000058581356 GD Annotated Anodyne CN1C(=O)C[C@@]2(C1=O)[C@@H](c1ccccc1O)CN(C)[C@@]21C(=O)Nc2ccccc21 ZINC000058582523 GD Annotated Anodyne O=C(NNc1nc(Nc2ncccn2)nc(N2CCCCC2)n1)c1ccncc1 ZINC000058582894 GD Annotated Reactive CC(=O)Oc1ccccc1C(=O)OCN1C(=O)[C@H](CC(C)C)N(C)S1(=O)=O ZINC000058583523 GD Annotated Anodyne COc1ccc(-n2nc(C)n(CCS(=O)(=O)c3cccc(F)c3)c2=O)cc1 ZINC000058592890 GD Annotated Anodyne CCN[C@@H]1CN(c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)n2)CCO1 ZINC000058594552 GD Annotated Anodyne C[C@]12CN(O)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000058602712 GD Annotated Mild CSCC/C(=N\C=C1\C(COP(=O)(O)O)=CNC(C)=C1O)C(=O)O ZINC000058638491 GD Annotated Mild Cn1ncc2c(NCCCS(C)(=O)=O)nc(-c3cccc4[nH]ncc34)nc21 ZINC000058649803 GD Annotated Anodyne N=C(N)Nc1ccc(O)c(/C=N/CC/N=C/c2cc(NC(=N)N)ccc2O)c1 ZINC000058650039 GD Annotated Mild N[C@@H](Cc1cc(N[C@H](C=O)/C=C/COc2ccccc2)c(O)cc1O)C(=O)O ZINC000058650489 GD Annotated Mild COC(=O)Nc1ccn2c(N[C@@H](C(=O)O)C(C)(C)[S@@](=O)O)c(C=O)cc2c1 ZINC000058650899 GD Annotated Anodyne OC[C@@H]1O[C@H](O)[C@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@H](O)[C@H]1O ZINC000058668313 GD Annotated Anodyne COCC(=O)N(c1ccccc1F)[C@@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000058677976 GD Annotated Anodyne COCC(=O)N(c1ccccc1OC)[C@@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000058682601 GD Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586886701 GD Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586886720 GD Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586886723 GD Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586886726 GD Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](O)[C@H](O)C(=O)O)[nH]c4c3)o2)cc1 ZINC000586887720 GD Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](O)[C@H](O)C(=O)O)[nH]c4c3)o2)cc1 ZINC000586887725 GD Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](O)[C@@H](O)C(=O)O)[nH]c4c3)o2)cc1 ZINC000586887726 GD Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c4c3)o2)cc1 ZINC000586887727 GD Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H](O)[C@H](O)CO)[nH]c2c1 ZINC000586887800 GD Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H](O)[C@@H](O)CO)[nH]c2c1 ZINC000586887805 GD Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](O)[C@H](O)CO)[nH]c2c1 ZINC000586887806 GD Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](O)[C@@H](O)CO)[nH]c2c1 ZINC000586887807 GD Annotated Anodyne COC(=O)c1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2c(F)c1Nc1ccccc1 ZINC000586888518 GD Annotated Anodyne COC(=O)c1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2c(F)c1Nc1ccccc1 ZINC000586888525 GD Annotated Anodyne COC(=O)c1cc2nc([C@H](O)[C@H](O)CO)[nH]c2c(F)c1Nc1ccccc1 ZINC000586888526 GD Annotated Anodyne COC(=O)c1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2c(F)c1Nc1ccccc1 ZINC000586888527 GD Annotated Anodyne COC(=O)c1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586889138 GD Annotated Anodyne COC(=O)c1cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586889167 GD Annotated Anodyne COC(=O)c1cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586889171 GD Annotated Anodyne COC(=O)c1cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586889174 GD Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586890686 GD Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586890703 GD Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586890704 GD Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586890705 GD Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586890823 GD Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586890825 GD Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586890826 GD Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586890828 GD Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586891454 GD Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586891455 GD Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586892458 GD Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586892459 GD Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586892460 GD Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586892461 GD Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586892740 GD Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586892743 GD Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586894182 GD Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586894183 GD Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586894184 GD Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586894185 GD Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586911950 GD Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586911956 GD Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586911958 GD Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586911959 GD Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1)N1CCOCC1 ZINC000586915625 GD Annotated Anodyne O=S(=O)(c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1)N1CCOCC1 ZINC000586915628 GD Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c(O)nc(N)nc4[nH]3)c(=O)oc2c1C ZINC000586918970 GD Annotated Anodyne COC(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000586919965 GD Annotated Bother NNC(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586920042 GD Annotated Reactive O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586920262 GD Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586920325 GD Annotated Bother NNC(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586920399 GD Annotated Reactive COC(=O)c1ccnc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000586920437 GD Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586920474 GD Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000586920494 GD Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586920697 GD Annotated Bother NS(=O)(=O)c1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920742 GD Annotated Bother O=C1COc2cc3[nH]c(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)nc3cc2N1 ZINC000586920767 GD Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586920871 GD Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586921040 GD Annotated Anodyne NS(=O)(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586921060 GD Annotated Bother N=c1[nH]c2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc-2c(Cl)[nH]1 ZINC000586921130 GD Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2c1 ZINC000586921396 GD Annotated Anodyne N#Cc1nc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2nc1C#N ZINC000586921526 GD Annotated Mild Cc1c(Br)cnc2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc12 ZINC000586921807 GD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586922067 GD Annotated Anodyne Cc1nc2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2cc1Br ZINC000586922576 GD Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000586922664 GD Annotated Anodyne COC(=O)c1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1OC ZINC000586922907 GD Annotated Anodyne CN(C)CCOc1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1 ZINC000586922919 GD Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](N)CP(=O)(O)O)nc2c1 ZINC000586922986 GD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccnc(N)c4[nH]3)c2)o1 ZINC000586923177 GD Annotated Anodyne O=S(=O)(CCc1nc2c(O)nc(S)nc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586923179 GD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000586923223 GD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(N)ncnc4[nH]3)c2)o1 ZINC000586923224 GD Annotated Anodyne CCOC(=O)Cc1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1 ZINC000586923286 GD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cnnc(O)c4[nH]3)c2)o1 ZINC000586923439 GD Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)CP(=O)(O)O)nc2c1 ZINC000586923444 GD Annotated Anodyne COC(=O)c1cc2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2cc1OC ZINC000586923461 GD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586923566 GD Annotated Bother N[C@@H](CP(=O)(O)O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586923694 GD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586923734 GD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)o1 ZINC000586923760 GD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(O)ncnc4[nH]3)c2)o1 ZINC000586923787 GD Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3c(O)nc(O)nc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924420 GD Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000586924737 GD Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586924759 GD Annotated Anodyne COc1cc(Cc2nc3c[nH]c(=N)[nH]c-3n2)cc(S(=O)(=O)Cl)c1OC ZINC000586924763 GD Annotated Unstable COc1cc(Cc2nc3cnnc(O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924775 GD Annotated Unstable COc1cc(Cc2nc3c(O)ncnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925539 GD Annotated Unstable COC(=O)c1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cn1 ZINC000586926375 GD Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3c(O)nc(N)nc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926877 GD Annotated Bother COC(=O)c1ccnc2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc12 ZINC000586927630 GD Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586927800 GD Annotated Anodyne CN(Cc1nc2nc(Br)c[nH]c-2n1)S(=O)(=O)c1cccnc1 ZINC000586928417 GD Annotated Anodyne CN(C)C(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586928589 GD Annotated Mild COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2n1 ZINC000586928598 GD Annotated Mild CN(Cc1nc2c(O)nc(S)nc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928606 GD Annotated Mild COC(=O)c1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cn1 ZINC000586928608 GD Annotated Mild CN(Cc1nc2cncc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928628 GD Annotated Anodyne CN(Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928665 GD Annotated Mild CN(Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928668 GD Annotated Mild CN(Cc1nc2cc(Br)cnc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928673 GD Annotated Anodyne CN(Cc1nc2ccnc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928684 GD Annotated Anodyne CN(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928759 GD Annotated Mild CN(Cc1nc2cc(Br)ncc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928776 GD Annotated Anodyne COC(=O)c1ccnc2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc12 ZINC000586928905 GD Annotated Mild CN(Cc1nc2cc(C#N)c(C#N)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928910 GD Annotated Mild CN(Cc1nc2nc(C#N)c(C#N)nc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928916 GD Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)c1 ZINC000586929050 GD Annotated Anodyne CN(Cc1nc2c(O)nc(S)nc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929078 GD Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc(I)ccc3[nH]2)c1 ZINC000586929103 GD Annotated Anodyne CN(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929172 GD Annotated Mild CN(Cc1nc2ccc(C(=O)NN)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929182 GD Annotated Reactive CN(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929186 GD Annotated Mild CCOC(=O)Cc1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1 ZINC000586929245 GD Annotated Anodyne CN(Cc1nc2c(Br)ccnc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929257 GD Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586929273 GD Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2n1 ZINC000586929287 GD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586929315 GD Annotated Anodyne CN(Cc1nc2ccc(Br)nc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929464 GD Annotated Anodyne COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1OC ZINC000586929491 GD Annotated Anodyne COC(=O)c1cc2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2cc1OC ZINC000586929493 GD Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929591 GD Annotated Mild CN(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929616 GD Annotated Anodyne CN(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929652 GD Annotated Bother NS(=O)(=O)c1c[nH]c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000586929660 GD Annotated Clean CN(Cc1nc2c(S)nc(S)nc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929665 GD Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(S)nc(S)nc2[nH]1 ZINC000586929946 GD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586929958 GD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586929976 GD Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1 ZINC000586930073 GD Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586930090 GD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586930133 GD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586930135 GD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586930144 GD Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586930159 GD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586930208 GD Annotated Bother COC(=O)c1cccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c12 ZINC000586930232 GD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586930259 GD Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(I)cccc3[nH]2)c1 ZINC000586930260 GD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586930280 GD Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3ncc(I)cc3[nH]2)c1 ZINC000586930286 GD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586930324 GD Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000586930348 GD Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1 ZINC000586930410 GD Annotated Bother COC(=O)c1cc(Br)c2nc(-c3cc(S(N)(=O)=O)c[nH]3)[nH]c2c1 ZINC000586930438 GD Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)c1 ZINC000586930477 GD Annotated Anodyne COC(=O)c1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cn1 ZINC000586930509 GD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586930511 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)o1 ZINC000586930851 GD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586930897 GD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2nc(Br)c[nH]c-2n1 ZINC000586930956 GD Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2cc1OC ZINC000586931157 GD Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCS(=O)(=O)N(C)C)nc2c1 ZINC000586931236 GD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586931440 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586931480 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)o1 ZINC000586931498 GD Annotated Bother COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1OC ZINC000586931547 GD Annotated Anodyne COC(=O)c1ccnc2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc12 ZINC000586931583 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586931585 GD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cccc(I)c2[nH]1 ZINC000586931637 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586931661 GD Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000586931710 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586931788 GD Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2n1 ZINC000586931849 GD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586931854 GD Annotated Clean COC(=O)c1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cn1 ZINC000586931892 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586931936 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586931948 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586932011 GD Annotated Bother CN(C)S(=O)(=O)CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586932028 GD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(I)cc2[nH]1 ZINC000586932053 GD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCS(=O)(=O)N(C)C)[nH]c2c1 ZINC000586932185 GD Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)C(C)C ZINC000586932234 GD Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)C(C)C ZINC000586932242 GD Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)C(C)C ZINC000586933726 GD Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)C(C)C ZINC000586933728 GD Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(C)C ZINC000586933868 GD Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(C)C ZINC000586933869 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C#N)cc3[nH]2)[C@H](C)O)cc1 ZINC000586934284 GD Annotated Mild COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C#N)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586934285 GD Annotated Mild COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C#N)cc3[nH]2)[C@H](C)O)cc1 ZINC000586934286 GD Annotated Mild COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C#N)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586934287 GD Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(O)ncnc2[nH]1 ZINC000586934512 GD Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(O)ncnc2[nH]1 ZINC000586934513 GD Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586934526 GD Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586934527 GD Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cnnc(O)c2[nH]1 ZINC000586934626 GD Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnnc(O)c2[nH]1 ZINC000586934627 GD Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cccc(S(=O)(=O)NCC(N)=O)c4)[nH]c32)n1 ZINC000586934940 GD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc4ncccc4c3[nH]2)c1 ZINC000586934961 GD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cnc4ccccc4c3[nH]2)c1 ZINC000586934966 GD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000586935011 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(OC)ncc3[nH]2)[C@@H](C)O)cc1 ZINC000586935139 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(OC)ncc3[nH]2)[C@H](C)O)cc1 ZINC000586935140 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(OC)ncc3[nH]2)[C@H](C)O)cc1 ZINC000586935142 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(OC)ncc3[nH]2)[C@@H](C)O)cc1 ZINC000586935144 GD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)c1 ZINC000586935169 GD Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2n1 ZINC000586935246 GD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000586935491 GD Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2c1 ZINC000586935506 GD Annotated Mild Cc1cc2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2cc1[N+](=O)[O-] ZINC000586935559 GD Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(C#N)c3[nH]2)[C@@H](C)O)cc1 ZINC000586935618 GD Annotated Mild COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(C#N)c3[nH]2)[C@@H](C)O)cc1 ZINC000586935619 GD Annotated Mild COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(C#N)c3[nH]2)[C@H](C)O)cc1 ZINC000586935621 GD Annotated Mild COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(C#N)c3[nH]2)[C@H](C)O)cc1 ZINC000586935623 GD Annotated Mild CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c1 ZINC000586935660 GD Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2c1 ZINC000586935967 GD Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586936206 GD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000586936264 GD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000586936695 GD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000586936724 GD Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586936787 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586936791 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586936799 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586936802 GD Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(N)ncnc2[nH]1 ZINC000586936940 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)ncc2[nH]1 ZINC000586936943 GD Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(N)ncnc2[nH]1 ZINC000586936944 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)ncc2[nH]1 ZINC000586936952 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc(OC)c3[nH]2)[C@@H](C)O)cc1 ZINC000586937048 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc(OC)c3[nH]2)[C@H](C)O)cc1 ZINC000586937053 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc(OC)c3[nH]2)[C@@H](C)O)cc1 ZINC000586937060 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc(OC)c3[nH]2)[C@H](C)O)cc1 ZINC000586937064 GD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000586937065 GD Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586937085 GD Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586937087 GD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000586937281 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586937314 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586937332 GD Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586937419 GD Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586937423 GD Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc12 ZINC000586937433 GD Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc12 ZINC000586937437 GD Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586937551 GD Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586937563 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586937887 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586937890 GD Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586937911 GD Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586937912 GD Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586938148 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc(C)c3[nH]2)[C@@H](C)O)cc1 ZINC000586938248 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc(C)c3[nH]2)[C@@H](C)O)cc1 ZINC000586938250 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc(C)c3[nH]2)[C@H](C)O)cc1 ZINC000586938252 GD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc(C)c3[nH]2)[C@H](C)O)cc1 ZINC000586938253 GD Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586938390 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000586938393 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000586938394 GD Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586938544 GD Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586938550 GD Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2cc1OC ZINC000586938565 GD Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2cc1OC ZINC000586938571 GD Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586938647 GD Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586938663 GD Annotated Anodyne Cc1nc2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2cc1Br ZINC000586938897 GD Annotated Anodyne Cc1nc2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2cc1Br ZINC000586938898 GD Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)cc1 ZINC000586938901 GD Annotated Mild CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)cc1 ZINC000586938903 GD Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cncc(Br)c2[nH]1 ZINC000586938953 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cncc(Br)c2[nH]1 ZINC000586938954 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586938978 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586938980 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000586938982 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000586938984 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000586939124 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000586939125 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)nc2[nH]1 ZINC000586939415 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)nc2[nH]1 ZINC000586939416 GD Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1OC ZINC000586939428 GD Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1OC ZINC000586939429 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586939459 GD Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586939460 GD Annotated Bother N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cccc(F)c3[nH]2)cc1 ZINC000586939651 GD Annotated Mild CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586939653 GD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586939658 GD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586939663 GD Annotated Anodyne CCc1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586939668 GD Annotated Mild Cc1cc2[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc2c(C)n1 ZINC000586939973 GD Annotated Mild Cc1cc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1C ZINC000586940118 GD Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586940281 GD Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586940282 GD Annotated Bother COc1cccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586940410 GD Annotated Mild Cc1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1C ZINC000586940414 GD Annotated Mild Cc1ccc(C)c2[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc12 ZINC000586940440 GD Annotated Mild COc1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586940458 GD Annotated Mild Cc1cc(C)c2[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586940534 GD Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3ncc[nH]c-3n2)cc1[N+](=O)[O-] ZINC000586940677 GD Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586940705 GD Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586940706 GD Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000586940739 GD Annotated Reactive Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000586940740 GD Annotated Reactive O=C(O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586940966 GD Annotated Anodyne COc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1F ZINC000586941020 GD Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)cnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941060 GD Annotated Anodyne O=C(O)c1cccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941084 GD Annotated Anodyne O=[N+]([O-])c1cccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941106 GD Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3c(N)ncnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941135 GD Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccnc(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941144 GD Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586941170 GD Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586941171 GD Annotated Anodyne COc1nccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941245 GD Annotated Anodyne COc1cccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941263 GD Annotated Anodyne O=S(=O)(NCc1nc2c(Cl)ncnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941277 GD Annotated Anodyne O=S(=O)(NCc1nc2ccc(CO)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941298 GD Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(O)ncnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941323 GD Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cnnc(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941341 GD Annotated Bother O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc2c(c1)OCCO2 ZINC000586941355 GD Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000586941445 GD Annotated Mild Cc1ccc(/C=C/S(=O)(=O)NCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000586941446 GD Annotated Mild CCCOc1cc2nc(CNS(=O)(=O)NC)[nH]c2cc1Br ZINC000586941519 GD Annotated Anodyne O=S(=O)(NCc1nc2nc(Cl)c[nH]c-2n1)c1ccc2c(c1)OCCO2 ZINC000586941587 GD Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(N)ncc3[nH]2)cc1[N+](=O)[O-] ZINC000586941662 GD Annotated Bother O=S(=O)(NCc1nc2ccc(CCO)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941692 GD Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586941700 GD Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586941704 GD Annotated Anodyne Nc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cn1 ZINC000586941710 GD Annotated Anodyne O=S(=O)(NCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941750 GD Annotated Anodyne O=S(=O)(NCCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Cl)nc1 ZINC000586941803 GD Annotated Anodyne O=[N+]([O-])c1cncc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941814 GD Annotated Bother O=S(=O)(NCc1nc2cnc(Cl)[nH]c-2n1)c1ccc2c(c1)OCCO2 ZINC000586941827 GD Annotated Anodyne CNS(=O)(=O)NCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586941840 GD Annotated Anodyne Nc1ncnc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc12 ZINC000586941842 GD Annotated Anodyne COC(=O)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2n1 ZINC000586941848 GD Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccnc(N)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941849 GD Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cnncc3[nH]2)cc1[N+](=O)[O-] ZINC000586941859 GD Annotated Bother O=S(=O)(NCc1nc2c(Cl)ccnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941889 GD Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586941916 GD Annotated Anodyne O=S(=O)(NCCc1nc2cnnc(O)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586941940 GD Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(N)ccnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941954 GD Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cncnc3[nH]2)cc1[N+](=O)[O-] ZINC000586942035 GD Annotated Bother CNS(=O)(=O)NCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586942071 GD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586942147 GD Annotated Anodyne N=c1[nH]cc2nc(CNS(=O)(=O)c3ccc(Br)s3)nc-2[nH]1 ZINC000586942163 GD Annotated Anodyne N#Cc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1C#N ZINC000586942168 GD Annotated Mild COc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cn1 ZINC000586942174 GD Annotated Anodyne O=S(=O)(NCc1nc2c(O)ncnc2[nH]1)c1ccc(Br)s1 ZINC000586942287 GD Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586942290 GD Annotated Bother O=S(=O)(NCc1nc2ccc(Cl)nc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942295 GD Annotated Anodyne O=S(=O)(NCCc1nc2c(O)ncnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942336 GD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586942401 GD Annotated Anodyne COC(=O)c1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cn1 ZINC000586942417 GD Annotated Anodyne COC(=O)c1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942419 GD Annotated Anodyne O=C(O)c1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942433 GD Annotated Anodyne O=S(=O)(NCc1nc2ccnc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942441 GD Annotated Anodyne COc1cncc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586942455 GD Annotated Anodyne O=S(=O)(NCc1nc2cncc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942479 GD Annotated Anodyne N=c1[nH]cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc-2[nH]1 ZINC000586942509 GD Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CNS(=O)(=O)NC)nc2c1 ZINC000586942543 GD Annotated Anodyne Nc1ncnc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc12 ZINC000586942557 GD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(I)cnc2[nH]1 ZINC000586942570 GD Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 ZINC000586942601 GD Annotated Bother O=S(=O)(NCc1nc2cc(Cl)ncc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942606 GD Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 ZINC000586942639 GD Annotated Anodyne O=[N+]([O-])c1cncc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942842 GD Annotated Bother O=S(=O)(NCCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942848 GD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586942877 GD Annotated Anodyne Nc1ccnc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc12 ZINC000586942917 GD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586942934 GD Annotated Anodyne O=S(=O)(NCCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Cl)nc1 ZINC000586942939 GD Annotated Anodyne O=S(=O)(NCc1nc2cnnc(O)c2[nH]1)c1ccc(Br)s1 ZINC000586942985 GD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586942991 GD Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000586942996 GD Annotated Anodyne NC(=O)c1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586943082 GD Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586943098 GD Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586943100 GD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586943190 GD Annotated Anodyne O=S(=O)(NCCc1nc2ccc(CCO)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586943205 GD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586943221 GD Annotated Anodyne Nc1nccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586943224 GD Annotated Anodyne N#Cc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1C#N ZINC000586943238 GD Annotated Mild CNS(=O)(=O)NCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586943266 GD Annotated Anodyne O=S(=O)(NCc1nc2ccnc(O)c2[nH]1)c1ccc(Br)s1 ZINC000586943276 GD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586943285 GD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586944074 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccnc(N)c2[nH]1 ZINC000586945069 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccnc(N)c2[nH]1 ZINC000586945070 GD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586945101 GD Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cnnc(O)c2[nH]1 ZINC000586945164 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(N)ccnc2[nH]1 ZINC000586945216 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(N)ccnc2[nH]1 ZINC000586945217 GD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586945243 GD Annotated Bother N=c1[nH]cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)nc-2[nH]1 ZINC000586945290 GD Annotated Anodyne Nc1ncnc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc12 ZINC000586945319 GD Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(O)ncnc2[nH]1 ZINC000586945375 GD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586945545 GD Annotated Anodyne Nc1nc(O)c2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2n1 ZINC000586945829 GD Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1OC ZINC000586945862 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cnnc(O)c2[nH]1 ZINC000586945914 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cnnc(O)c2[nH]1 ZINC000586945916 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(N)ncc2[nH]1 ZINC000586946125 GD Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2cc1OC ZINC000586946126 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(N)ncc2[nH]1 ZINC000586946128 GD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586946164 GD Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586946174 GD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586946194 GD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586946312 GD Annotated Anodyne N=c1[nH]cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)nc-2[nH]1 ZINC000586946379 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586946435 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586946438 GD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)n(C)c1 ZINC000586946574 GD Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(O)nncc3[nH]2)cc1 ZINC000586946610 GD Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(O)nncc3[nH]2)cc1 ZINC000586946613 GD Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3cc(S(=O)(=O)NC)cn3C)nc2c1 ZINC000586946740 GD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586947023 GD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)n(C)c1 ZINC000586947268 GD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)ncc(F)c3[nH]2)n(C)c1 ZINC000586947285 GD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586947320 GD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)n(C)c1 ZINC000586947343 GD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586947412 GD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)n(C)c1 ZINC000586947487 GD Annotated Bother CNS(=O)(=O)c1cc(-c2nc3nc(C)c(Br)cc3[nH]2)n(C)c1 ZINC000586947522 GD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)n(C)c1 ZINC000586947560 GD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3ncc(Br)c(C)c3[nH]2)n(C)c1 ZINC000586947620 GD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(O)c(Br)ccc3[nH]2)n(C)c1 ZINC000586947634 GD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)n(C)c1 ZINC000586947666 GD Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586947964 GD Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586948442 GD Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586949340 GD Annotated Anodyne O=S(=O)(Cc1nc2c(O)ncnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950116 GD Annotated Anodyne O=S(=O)(Cc1nc2cnnc(O)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950278 GD Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586951086 GD Annotated Anodyne Nc1ncnc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc12 ZINC000586951269 GD Annotated Anodyne N=c1[nH]cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc-2[nH]1 ZINC000586951531 GD Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586951680 GD Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586951772 GD Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586951786 GD Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)CC1 ZINC000586952814 GD Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 ZINC000586952868 GD Annotated Anodyne Nc1nc(O)c2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2n1 ZINC000586953406 GD Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC1 ZINC000586953578 GD Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 ZINC000586953593 GD Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 ZINC000586953647 GD Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3nc(Br)c[nH]c-3n2)CC1 ZINC000586953767 GD Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586953966 GD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 ZINC000586954136 GD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(C)c(Br)cnc3[nH]2)CC1 ZINC000586954147 GD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)c(C)nc3[nH]2)CC1 ZINC000586954199 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(O)nc(N)nc4[nH]3)CC2)cc1 ZINC000586954252 GD Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 ZINC000586954363 GD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2N)C1 ZINC000586954391 GD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(CCO)cc4[nH]3)c2N)C1 ZINC000586954450 GD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Br)c(O)c3[nH]2)CC1 ZINC000586954489 GD Annotated Anodyne Nc1nc(O)c2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2n1 ZINC000586954606 GD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(F)cnc(Br)c3[nH]2)CC1 ZINC000586954619 GD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)CC1 ZINC000586954654 GD Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3CCN(S(=O)(=O)NC)CC3)[nH]c2c1 ZINC000586954714 GD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2N)C1 ZINC000586954740 GD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cnc(Cl)[nH]c-4n3)c2N)C1 ZINC000586954891 GD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)CC1 ZINC000586955025 GD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)CC1 ZINC000586955032 GD Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC1 ZINC000586955065 GD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C#N)cc(Br)c3[nH]2)CC1 ZINC000586955085 GD Annotated Mild CNS(=O)(=O)N1CCC(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 ZINC000586955097 GD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2N)C1 ZINC000586955728 GD Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 ZINC000586955853 GD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)c2N)C1 ZINC000586955926 GD Annotated Mild CS(=O)(=O)N1CCc2c(ccc(-c3nc4nc(Cl)c[nH]c-4n3)c2N)C1 ZINC000586955942 GD Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3c(O)nc(O)nc3[nH]2)c1)N1CCC1 ZINC000586955979 GD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2N)C1 ZINC000586956041 GD Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(Cl)ncnc4[nH]3)c2N)C1 ZINC000586956052 GD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 ZINC000586956172 GD Annotated Bother COc1ccc(Cc2nc3cnccc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957187 GD Annotated Anodyne COc1ccc(Cc2nc3cccnc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957294 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586957555 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586957556 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586957592 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586957593 GD Annotated Anodyne COC(=O)c1cccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586957604 GD Annotated Anodyne COC(=O)c1cccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586957605 GD Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ncc[nH]c-3n2)cc1 ZINC000586957613 GD Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cncnc3[nH]2)cc1 ZINC000586957836 GD Annotated Mild COC(=O)c1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cn1 ZINC000586957848 GD Annotated Anodyne COC(=O)c1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cn1 ZINC000586957849 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586957853 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586957854 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586957903 GD Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586957905 GD Annotated Mild COC(=O)c1ccnc2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586958249 GD Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586958251 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586958358 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586958359 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586958370 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586958373 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586958604 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586958607 GD Annotated Anodyne COC(=O)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586958735 GD Annotated Anodyne COC(=O)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586958736 GD Annotated Anodyne O=[S@](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)CC1CC1 ZINC000586958798 GD Annotated Anodyne O=[S@@](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)CC1CC1 ZINC000586958809 GD Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cnncc3[nH]2)cc1 ZINC000586959040 GD Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586959049 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586959050 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586959101 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586959109 GD Annotated Anodyne COC(=O)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2n1 ZINC000586959120 GD Annotated Anodyne COC(=O)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2n1 ZINC000586959123 GD Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586959125 GD Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586959129 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586959220 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586959221 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586959924 GD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586959928 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586959930 GD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586959932 GD Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586960430 GD Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586960432 GD Annotated Anodyne CC(C)(SCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(=O)O ZINC000586960717 GD Annotated Anodyne Nc1nc(O)c2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586960821 GD Annotated Anodyne Nc1nc(O)c2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586960826 GD Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586962701 GD Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586962702 GD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(O)nc(O)nc2[nH]1 ZINC000586964928 GD Annotated Anodyne CC1=C(c2ccc3nc(CSc4nc(O)cc(O)n4)[nH]c3c2)NNC(=O)C1 ZINC000586966552 GD Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966915 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586967054 GD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CSc3nc(O)cc(O)n3)[nH]c12 ZINC000586967390 GD Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/CBr)[nH]c2c1)N1CCOCC1 ZINC000586973266 GD Annotated Reactive O=S(=O)(c1ccc2nc(/C=C\CBr)[nH]c2c1)N1CCOCC1 ZINC000586973269 GD Annotated Reactive COc1cc(Br)c([C@@H](N)c2nc3c[nH]c(=N)[nH]c-3n2)cc1OC ZINC000586974589 GD Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c[nH]c(=N)[nH]c-3n2)cc1OC ZINC000586974595 GD Annotated Anodyne O=C(c1ccc2nc(/C=C/CBr)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586974669 GD Annotated Reactive O=C(c1ccc2nc(/C=C\CBr)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586974671 GD Annotated Reactive COc1cc(Br)c([C@@H](N)c2nc3cnnc(O)c3[nH]2)cc1OC ZINC000586975711 GD Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cnnc(O)c3[nH]2)cc1OC ZINC000586975712 GD Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(O)nc(N)nc3[nH]2)cc1OC ZINC000586976001 GD Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(O)nc(N)nc3[nH]2)cc1OC ZINC000586976003 GD Annotated Anodyne Cc1nn(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)c1Br ZINC000586978912 GD Annotated Anodyne Cc1nn(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C)c1Br ZINC000586978952 GD Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1Br ZINC000586979712 GD Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586979784 GD Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(O)nc(O)nc2[nH]1 ZINC000586979861 GD Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(O)nc(N)nc2[nH]1 ZINC000586980628 GD Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586984078 GD Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586984135 GD Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(O)nc(N)nc2[nH]1)c1ccc(Br)cc1 ZINC000586984261 GD Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(O)nc(N)nc2[nH]1)c1ccc(Br)cc1 ZINC000586984262 GD Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586985226 GD Annotated Anodyne CC(=O)N[C@H](Cc1nc2c[nH]c(=N)[nH]c-2n1)c1ccc(Br)cc1 ZINC000586986044 GD Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c[nH]c(=N)[nH]c-2n1)c1ccc(Br)cc1 ZINC000586986045 GD Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Br)cc1 ZINC000586986373 GD Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Br)cc1 ZINC000586986374 GD Annotated Anodyne O=C1CN(C(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCN1 ZINC000586987479 GD Annotated Anodyne Nc1nc(O)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2n1 ZINC000586999504 GD Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)n1 ZINC000586999616 GD Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)n1 ZINC000587001504 GD Annotated Anodyne Nc1nc(O)c2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2n1 ZINC000587001601 GD Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cnnc(O)c2[nH]1 ZINC000587001852 GD Annotated Anodyne N=c1[nH]cc2nc(CCN3C(=O)COc4cc(Br)ccc43)nc-2[nH]1 ZINC000587002408 GD Annotated Anodyne Nc1ncnc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12 ZINC000587003233 GD Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(O)ncnc2[nH]1 ZINC000587003901 GD Annotated Anodyne Nc1nc(O)c2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1 ZINC000587004827 GD Annotated Anodyne Nc1nc(O)c2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1 ZINC000587004829 GD Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587007591 GD Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587007737 GD Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)s1 ZINC000587011480 GD Annotated Anodyne O=C(Nc1nc(Cc2nc3c(O)nc(O)nc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019533 GD Annotated Anodyne Nc1nc(O)c2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2n1 ZINC000587020083 GD Annotated Anodyne N#Cc1ncc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)s1 ZINC000587020937 GD Annotated Mild N#Cc1ncc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)s1 ZINC000587022057 GD Annotated Mild C[C@H](O)c1ncc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)s1 ZINC000587022399 GD Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)s1 ZINC000587022401 GD Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)s1 ZINC000587023440 GD Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)s1 ZINC000587023464 GD Annotated Mild COC(=O)c1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cn1 ZINC000587023468 GD Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)s1 ZINC000587023786 GD Annotated Reactive CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3nc(N)[nH]c(Cl)c-3n2)s1 ZINC000587024045 GD Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(O)nc(S)nc3[nH]2)s1 ZINC000587024099 GD Annotated Anodyne COC(=O)c1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2n1 ZINC000587024233 GD Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc12 ZINC000587024244 GD Annotated Anodyne O=C(CCc1nc2c(O)nc(O)nc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587026494 GD Annotated Anodyne N[C@@H](c1ccsc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587026559 GD Annotated Anodyne N[C@H](c1ccsc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587026562 GD Annotated Anodyne O=C(NCc1nc2cc(I)cnc2[nH]1)c1cscn1 ZINC000587027426 GD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1 ZINC000587027849 GD Annotated Anodyne Cc1ncsc1CCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587028136 GD Annotated Anodyne N[C@@H](c1ccsc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587028434 GD Annotated Anodyne N[C@H](c1ccsc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587028439 GD Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587029384 GD Annotated Anodyne NS(=O)(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587033713 GD Annotated Anodyne NS(=O)(=O)c1cccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 ZINC000587035288 GD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4nc(C#N)c(C#N)nc4[nH]3)cc12 ZINC000587037377 GD Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4nc(C#N)c(C#N)nc4[nH]3)cc12 ZINC000587037383 GD Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(C(=O)NN)cc4[nH]3)cc12 ZINC000587037479 GD Annotated Reactive Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(C(=O)NN)cc4[nH]3)cc12 ZINC000587037484 GD Annotated Reactive C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)C1=O ZINC000587037918 GD Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)C1=O ZINC000587037919 GD Annotated Mild CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000587038962 GD Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000587038968 GD Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)C1=O ZINC000587039372 GD Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)C1=O ZINC000587039376 GD Annotated Mild Cc1onc(-c2nc3c(O)ncnc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078851 GD Annotated Bother Cc1onc(-c2nc3c(O)nncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079038 GD Annotated Bother Cc1onc(-c2nc3c(O)nc(O)nc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079739 GD Annotated Bother Cc1onc(-c2nc3ncnc(N)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079812 GD Annotated Bother Cc1onc(-c2nc3c(O)nc(N)nc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080188 GD Annotated Bother Cc1onc(-c2nc3nc(N)ncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080706 GD Annotated Bother N=c1[nH]cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc-2[nH]1 ZINC000587088971 GD Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587089017 GD Annotated Mild Nc1nc(O)c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2n1 ZINC000587089439 GD Annotated Mild NS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587091003 GD Annotated Bother C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587091171 GD Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587091174 GD Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587091654 GD Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587091655 GD Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091843 GD Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)nn1CC(F)(F)F ZINC000587092579 GD Annotated Bother O=C(c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587093672 GD Annotated Anodyne Cc1csc([C@](O)(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)C(F)(F)F)n1 ZINC000587094262 GD Annotated Mild Cc1csc([C@@](O)(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)C(F)(F)F)n1 ZINC000587094263 GD Annotated Mild Cc1csc([C@@](O)(Cc2nc3ccc(C(=O)NN)cc3[nH]2)C(F)(F)F)n1 ZINC000587094963 GD Annotated Reactive Cc1csc([C@](O)(Cc2nc3ccc(C(=O)NN)cc3[nH]2)C(F)(F)F)n1 ZINC000587094969 GD Annotated Reactive Nc1nc(O)c2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2n1 ZINC000587113780 GD Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587114094 GD Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587114096 GD Annotated Anodyne N#Cc1nc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2nc1C#N ZINC000587114327 GD Annotated Mild Oc1nc(O)c2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2n1 ZINC000587114774 GD Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587117092 GD Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587117368 GD Annotated Mild N=c1[nH]cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)nc-2[nH]1 ZINC000587117571 GD Annotated Anodyne Nc1nc(O)c2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2n1 ZINC000587118331 GD Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(O)nc(S)nc2[nH]1 ZINC000587118507 GD Annotated Bother Oc1nc(O)c2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2n1 ZINC000587119004 GD Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587119085 GD Annotated Reactive Cc1cc(-c2nc3c(O)nc(N)nc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123165 GD Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(O)nc(S)nc2[nH]1)C(F)(F)F ZINC000587127149 GD Annotated Anodyne N#Cc1nc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2nc1C#N ZINC000587127233 GD Annotated Mild N=c1[nH]c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)nc-2c(Cl)[nH]1 ZINC000587127429 GD Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(-n3cnnn3)ccc2[nH]1)C(F)(F)F ZINC000587127526 GD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(N)ncc2[nH]1 ZINC000587127730 GD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(N)ncnc2[nH]1 ZINC000587127731 GD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587127760 GD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cnnc(O)c2[nH]1 ZINC000587128156 GD Annotated Anodyne Cn1nnc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1C(F)F ZINC000587128713 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587128748 GD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(N)ccnc2[nH]1 ZINC000587129194 GD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(O)ncnc2[nH]1 ZINC000587129209 GD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587129283 GD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(O)nc(O)nc2[nH]1 ZINC000587129529 GD Annotated Anodyne O=S(=O)(NCc1nc2ccc(CCO)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134321 GD Annotated Anodyne N=c1[nH]c2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc-2c(Cl)[nH]1 ZINC000587134350 GD Annotated Anodyne O=S(=O)(NCc1nc2c(Cl)ncnc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134371 GD Annotated Anodyne O=S(=O)(NCc1nc2nc(Cl)c[nH]c-2n1)c1ccc(F)c(F)c1F ZINC000587134372 GD Annotated Anodyne NNC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134644 GD Annotated Reactive O=S(=O)(NCc1nc2cnc(Cl)[nH]c-2n1)c1ccc(F)c(F)c1F ZINC000587134672 GD Annotated Anodyne O=S(=O)(NCc1nc2c(O)nc(S)nc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135623 GD Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 ZINC000587135782 GD Annotated Bother O=[N+]([O-])c1cncc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587135802 GD Annotated Bother COC(=O)c1ccc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2c1OC ZINC000587141745 GD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c12 ZINC000587141925 GD Annotated Anodyne Nc1ccc(F)c(Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1 ZINC000587142389 GD Annotated Anodyne NNC(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587148555 GD Annotated Reactive NNC(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587148564 GD Annotated Reactive N#Cc1nc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2nc1C#N ZINC000587148670 GD Annotated Mild N#Cc1nc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2nc1C#N ZINC000587148674 GD Annotated Mild O=C1CC=C(c2nc3ccc(-n4cnnn4)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162972 GD Annotated Anodyne COC(=O)c1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cn1 ZINC000587169283 GD Annotated Anodyne CN(Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169406 GD Annotated Anodyne COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2n1 ZINC000587169645 GD Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)S(=O)(=O)c1ccc(F)cc1 ZINC000587169930 GD Annotated Anodyne COC(=O)c1ccnc2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc12 ZINC000587170207 GD Annotated Anodyne CN(Cc1nc2c(S)nc(S)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170318 GD Annotated Anodyne CN(Cc1nc2ccc(C(=O)NN)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170374 GD Annotated Reactive CN(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170783 GD Annotated Anodyne N=c1[nH]cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc-2[nH]1 ZINC000587171155 GD Annotated Anodyne N=c1[nH]cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc-2[nH]1 ZINC000587171156 GD Annotated Anodyne C[C@@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174489 GD Annotated Anodyne C[C@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174491 GD Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(O)ncnc2[nH]1 ZINC000587178470 GD Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(N)ncnc2[nH]1 ZINC000587179160 GD Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587179374 GD Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587179429 GD Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cnnc(O)c2[nH]1 ZINC000587179475 GD Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587179516 GD Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587179796 GD Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587179805 GD Annotated Anodyne Cn1nc(-c2nc3ccnc(O)c3[nH]2)c(I)c1C(=O)O ZINC000587179908 GD Annotated Anodyne Cn1nc(-c2nc3cc(N)c(N)cc3[nH]2)c(I)c1C(=O)O ZINC000587179909 GD Annotated Anodyne COc1nccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc12 ZINC000587179968 GD Annotated Anodyne Cn1nc(-c2nc3cc(F)cnc3[nH]2)c(I)c1C(=O)O ZINC000587180068 GD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ncc(F)cc2[nH]1 ZINC000587180092 GD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(O)nccc2[nH]1 ZINC000587180205 GD Annotated Anodyne COc1cncc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc12 ZINC000587180224 GD Annotated Anodyne COc1nccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587180233 GD Annotated Anodyne COc1cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2cn1 ZINC000587180234 GD Annotated Anodyne COc1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2n1 ZINC000587180267 GD Annotated Anodyne Cc1ccnc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c12 ZINC000587180291 GD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(N)nccc2[nH]1 ZINC000587180324 GD Annotated Anodyne Cc1ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2n1 ZINC000587180338 GD Annotated Anodyne Cn1nc(-c2nc3c(N)ccnc3[nH]2)c(I)c1C(=O)O ZINC000587180590 GD Annotated Anodyne Cc1nccc2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc12 ZINC000587180602 GD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587180684 GD Annotated Anodyne Cc1cncc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587180957 GD Annotated Anodyne Cn1nc(-c2nc3ccc(O)cc3[nH]2)c(I)c1C(=O)O ZINC000587181051 GD Annotated Anodyne Cc1nccc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c12 ZINC000587181225 GD Annotated Anodyne Cn1nc(-c2nc3cccc(O)c3[nH]2)c(I)c1C(=O)O ZINC000587181239 GD Annotated Anodyne COc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cn1 ZINC000587181407 GD Annotated Anodyne COc1ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2n1 ZINC000587181486 GD Annotated Anodyne Cc1cnc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2c1 ZINC000587181489 GD Annotated Anodyne Cn1nc(-c2nc3ccnc(N)c3[nH]2)c(I)c1C(=O)O ZINC000587181517 GD Annotated Anodyne COc1cncc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587181528 GD Annotated Anodyne Cc1ccnc2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc12 ZINC000587181530 GD Annotated Anodyne Cn1nc(-c2nc3ccc(CO)cc3[nH]2)c(I)c1C(=O)O ZINC000587181537 GD Annotated Anodyne Cc1cncc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc12 ZINC000587181557 GD Annotated Anodyne Cc1cnc2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2c1 ZINC000587181563 GD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nccc(N)c2[nH]1 ZINC000587181564 GD Annotated Anodyne Cc1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2n1 ZINC000587181683 GD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cnc(N)cc2[nH]1 ZINC000587181689 GD Annotated Anodyne Cn1nc(-c2nc3cc(N)ncc3[nH]2)c(I)c1C(=O)O ZINC000587181702 GD Annotated Anodyne COc1cncc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587181715 GD Annotated Anodyne OCCc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587181763 GD Annotated Anodyne Nc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1N ZINC000587181770 GD Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587181850 GD Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587181851 GD Annotated Anodyne N#Cc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587181868 GD Annotated Mild O=C(O)c1cccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587181877 GD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc4c(cc3[nH]2)OCO4)n1 ZINC000587181898 GD Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587181936 GD Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587181937 GD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cnc(Cl)[nH]c-3n2)n1 ZINC000587181997 GD Annotated Anodyne OCc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587182213 GD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3nc(Cl)c[nH]c-3n2)n1 ZINC000587182261 GD Annotated Anodyne COc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2n1 ZINC000587182443 GD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc4cn[nH]c4cc3[nH]2)n1 ZINC000587182713 GD Annotated Anodyne COc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cn1 ZINC000587182715 GD Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587182754 GD Annotated Bother Oc1nc(O)c(I)c(-c2nc3c(Cl)ncnc3[nH]2)n1 ZINC000587183411 GD Annotated Anodyne N#Cc1cccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587183419 GD Annotated Mild O=C(O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587183425 GD Annotated Anodyne COc1nccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587183467 GD Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000587184313 GD Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000587184325 GD Annotated Anodyne Nc1ncnc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc12 ZINC000587184496 GD Annotated Anodyne Nc1ncnc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc12 ZINC000587184498 GD Annotated Anodyne COc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cn1 ZINC000587184542 GD Annotated Anodyne Cc1cnc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2c1 ZINC000587184546 GD Annotated Anodyne Cc1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2n1 ZINC000587184557 GD Annotated Anodyne Nc1ccnc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc12 ZINC000587184572 GD Annotated Anodyne Cc1nccc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc12 ZINC000587184575 GD Annotated Anodyne Cc1cncc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587184584 GD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(O)nccc3[nH]2)n1 ZINC000587184588 GD Annotated Anodyne Cc1nccc2nc(-c3nn(CC(=O)O)cc3I)[nH]c12 ZINC000587184592 GD Annotated Anodyne CC[C@H](c1nc2c(O)nc(N)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587184665 GD Annotated Anodyne CC[C@@H](c1nc2c(O)nc(N)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587184666 GD Annotated Anodyne CC[C@H](c1nc2c[nH]c(=N)[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587184773 GD Annotated Anodyne CC[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587184778 GD Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000587184813 GD Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000587184814 GD Annotated Anodyne COc1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2n1 ZINC000587184862 GD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ncc(F)cc3[nH]2)n1 ZINC000587184872 GD Annotated Anodyne COc1cncc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587184886 GD Annotated Anodyne COc1nccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587184901 GD Annotated Anodyne Cc1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2n1 ZINC000587184914 GD Annotated Anodyne Cc1ccnc2nc(-c3nn(CC(=O)O)cc3I)[nH]c12 ZINC000587184939 GD Annotated Anodyne Nc1ccnc2nc(-c3nn(CC(=O)O)cc3I)[nH]c12 ZINC000587184971 GD Annotated Anodyne N#Cc1cccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587185264 GD Annotated Mild Cc1cnc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c1 ZINC000587185273 GD Annotated Anodyne Nc1nc(O)c2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2n1 ZINC000587185313 GD Annotated Anodyne Nc1nc(O)c2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2n1 ZINC000587185321 GD Annotated Anodyne COc1nccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587185329 GD Annotated Anodyne N=c1[nH]cc2nc([C@H](N)Cc3ccc(I)cc3)nc-2[nH]1 ZINC000587185481 GD Annotated Anodyne N=c1[nH]cc2nc([C@@H](N)Cc3ccc(I)cc3)nc-2[nH]1 ZINC000587185487 GD Annotated Anodyne N#Cc1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587185740 GD Annotated Mild COc1cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2cn1 ZINC000587185786 GD Annotated Anodyne Cc1cncc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587185881 GD Annotated Anodyne Nc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1N ZINC000587185932 GD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(O)cccc3[nH]2)n1 ZINC000587185964 GD Annotated Anodyne Ic1nccnc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587185987 GD Annotated Anodyne COc1cncc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587186132 GD Annotated Anodyne Cc1ccnc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc12 ZINC000587186168 GD Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(F)cnc3[nH]2)cc1I ZINC000587186175 GD Annotated Anodyne Nc1cc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2cc1N ZINC000587186184 GD Annotated Anodyne COC(=O)c1ccc2nc(-c3nccnc3I)[nH]c2n1 ZINC000587186353 GD Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3nccnc3I)nc12 ZINC000587186412 GD Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(CO)cc3[nH]2)cc1I ZINC000587186449 GD Annotated Anodyne O=C(O)c1nn(Cc2nc3cccc(O)c3[nH]2)cc1I ZINC000587186459 GD Annotated Anodyne O=C(O)c1nn(Cc2nc3ccnc(O)c3[nH]2)cc1I ZINC000587186479 GD Annotated Anodyne COc1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2n1 ZINC000587186486 GD Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587186540 GD Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587186541 GD Annotated Anodyne N#Cc1cccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587186546 GD Annotated Mild O=C1COc2cc3[nH]c(-c4nccnc4I)nc3cc2N1 ZINC000587186632 GD Annotated Anodyne COC(=O)c1cc2nc(-c3nccnc3I)[nH]c2cn1 ZINC000587186672 GD Annotated Anodyne Sc1nc(S)c2nc(-c3nccnc3I)[nH]c2n1 ZINC000587186901 GD Annotated Anodyne Oc1ncnc2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587187894 GD Annotated Anodyne Nc1nc(O)c2nc(-c3ccc4ncc(I)n4c3)[nH]c2n1 ZINC000587188479 GD Annotated Anodyne N=c1[nH]cc2nc(-c3ccc4ncc(I)n4c3)nc-2[nH]1 ZINC000587188662 GD Annotated Anodyne Oc1nc(O)c2nc(-c3ccc4ncc(I)n4c3)[nH]c2n1 ZINC000587188683 GD Annotated Anodyne Oc1nncc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587188714 GD Annotated Anodyne Nc1ncnc2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587188763 GD Annotated Anodyne N#Cc1nc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2nc1C#N ZINC000587193138 GD Annotated Mild NNC(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 ZINC000587193642 GD Annotated Reactive CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587194682 GD Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587194683 GD Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587199020 GD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587202102 GD Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587202115 GD Annotated Bother COC(=O)c1cc2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2cc1OC ZINC000587202768 GD Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc2cc1OC ZINC000587202774 GD Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1OC ZINC000587203579 GD Annotated Anodyne COC(=O)c1ccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1OC ZINC000587203580 GD Annotated Anodyne CC1=C(c2ccc3nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587203591 GD Annotated Anodyne CC1=C(c2ccc3nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587203592 GD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587205092 GD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587205100 GD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587205156 GD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587205157 GD Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 ZINC000587205164 GD Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 ZINC000587205165 GD Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c32)n1 ZINC000587217543 GD Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c32)n1 ZINC000587217550 GD Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c32)n1 ZINC000587217553 GD Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c32)n1 ZINC000587217555 GD Annotated Anodyne CC(C)(C)c1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587219056 GD Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587219058 GD Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587219060 GD Annotated Anodyne CC(C)(C)c1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587219062 GD Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587220649 GD Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587220652 GD Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587220653 GD Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587220654 GD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587221850 GD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587221851 GD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587221852 GD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587221853 GD Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587222009 GD Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587222010 GD Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587222011 GD Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587222012 GD Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587223214 GD Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587223219 GD Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2n1 ZINC000587224436 GD Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2n1 ZINC000587224438 GD Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2n1 ZINC000587224440 GD Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2n1 ZINC000587224441 GD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587224464 GD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587224465 GD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587224466 GD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587224467 GD Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000587224484 GD Annotated Anodyne COc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1OCC(=O)NC(C)C ZINC000587225184 GD Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587225881 GD Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587225889 GD Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587226679 GD Annotated Bother N#Cc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1C#N ZINC000587227027 GD Annotated Mild N[C@H](N=O)c1ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587227061 GD Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587227063 GD Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(CCO)cc2[nH]1 ZINC000587227379 GD Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587227570 GD Annotated Bother CSc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1 ZINC000587227599 GD Annotated Anodyne CSc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1 ZINC000587227604 GD Annotated Anodyne CSc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1 ZINC000587227606 GD Annotated Anodyne CSc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1 ZINC000587227608 GD Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587227799 GD Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000587227993 GD Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(CNCCNCC(=O)O)nc2c1 ZINC000587228271 GD Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000587228708 GD Annotated Anodyne CCCOc1cc2nc(CNCCNCC(=O)O)[nH]c2cc1Br ZINC000587229096 GD Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CNCCNCC(=O)O)[nH]c3c2)cc1 ZINC000587229141 GD Annotated Anodyne CC(C)Oc1cc2nc(CNCCNCC(=O)O)[nH]c2cc1Br ZINC000587229193 GD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(OC)ncc3[nH]2)c1 ZINC000587229416 GD Annotated Anodyne O=C(O)CNCCNCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587229585 GD Annotated Clean COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587230489 GD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587230500 GD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587230502 GD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587230504 GD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587230964 GD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587230965 GD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(N)ncc3[nH]2)c1 ZINC000587231014 GD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587231015 GD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587231016 GD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587231156 GD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587231158 GD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587231160 GD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587231161 GD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccnc(O)c3[nH]2)c1 ZINC000587231197 GD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cnnc(O)c3[nH]2)c1 ZINC000587231409 GD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccnc(OC)c3[nH]2)c1 ZINC000587232097 GD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccnc(N)c3[nH]2)c1 ZINC000587232244 GD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(N)c(N)cc3[nH]2)c1 ZINC000587232555 GD Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3nc(C#N)c(C#N)nc3[nH]2)CCC(=O)CC1 ZINC000587234175 GD Annotated Mild CC(C)(C)OC(=O)NC1(c2nc3nc(C#N)c(C#N)nc3[nH]2)CCC(O)CC1 ZINC000587237258 GD Annotated Mild CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=O)NN)cc3[nH]2)CCC(O)CC1 ZINC000587237272 GD Annotated Reactive COC(=O)c1cc(Br)c2[nH]c(CCOCCOCCN)nc2c1 ZINC000587245885 GD Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COCCN)[nH]c3c2)cc1 ZINC000587245920 GD Annotated Anodyne NCCOCCOCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587246058 GD Annotated Clean NCCOCCOCCc1nc2ccc(I)cc2[nH]1 ZINC000587246060 GD Annotated Anodyne NCCOCCOCCc1nc2cccc(I)c2[nH]1 ZINC000587246067 GD Annotated Anodyne NCCOCCOCCc1nc2cc(I)cnc2[nH]1 ZINC000587246383 GD Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COCCN)[nH]c2c1 ZINC000587246596 GD Annotated Anodyne NCCOCCOCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587246858 GD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCOCCOCCN)[nH]c2c1 ZINC000587246865 GD Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@]4(N)CCOC4)[nH]c3c2)cc1 ZINC000587248498 GD Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]4(N)CCOC4)[nH]c3c2)cc1 ZINC000587248499 GD Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@]3(N)CCOC3)[nH]c2c1 ZINC000587248926 GD Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]3(N)CCOC3)[nH]c2c1 ZINC000587248929 GD Annotated Anodyne Nc1ncc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(O)n1 ZINC000587253598 GD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c12 ZINC000587255485 GD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587255895 GD Annotated Anodyne CC1=C(c2ccc3nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587256004 GD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)CCCNC(N)=O)[nH]c2c1 ZINC000587258786 GD Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](N)CCCNC(N)=O)nc2c1 ZINC000587258878 GD Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)CCCNC(N)=O)nc2c1 ZINC000587258888 GD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587259445 GD Annotated Anodyne CC1=C(c2ccc3nc([C@@H](N)Cc4cccc(C(N)=O)c4)[nH]c3c2)NNC(=O)C1 ZINC000587260256 GD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)CCCNC(N)=O)[nH]c2c1 ZINC000587260491 GD Annotated Anodyne COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261163 GD Annotated Bother COc1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261187 GD Annotated Bother O=CC(C=O)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587261427 GD Annotated Mild NS(=O)(=O)c1cccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587261451 GD Annotated Mild O=CC(C=O)c1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261688 GD Annotated Mild COc1cc(OCc2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261790 GD Annotated Bother COc1cc(OCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262008 GD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262281 GD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262282 GD Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1[N+](=O)[O-] ZINC000587262385 GD Annotated Mild NC(=O)c1cc(N2CCC(c3nc4cnnc(O)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262509 GD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262606 GD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262608 GD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262751 GD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262756 GD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262759 GD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262762 GD Annotated Bother N=c1[nH]cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc-2[nH]1 ZINC000587262908 GD Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccnc(N)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263273 GD Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587263742 GD Annotated Bother CC1=C(c2ccc3nc(C[C@@H]4C(=O)C[C@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 ZINC000587264003 GD Annotated Bother CC1=C(c2ccc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@H]4C[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 ZINC000587264007 GD Annotated Bother CC1=C(c2ccc3nc(C[C@@H]4C(=O)C[C@H](C)[C@H]4C[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 ZINC000587264009 GD Annotated Bother CC1=C(c2ccc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 ZINC000587264010 GD Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587264258 GD Annotated Bother COCCOc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264268 GD Annotated Bother NS(=O)(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264393 GD Annotated Bother COCCNc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264681 GD Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587265059 GD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265283 GD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265284 GD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265286 GD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265288 GD Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587265336 GD Annotated Bother NS(=O)(=O)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587265726 GD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnnc(O)c2[nH]1 ZINC000587265911 GD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnnc(O)c2[nH]1 ZINC000587265920 GD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnnc(O)c2[nH]1 ZINC000587265924 GD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnnc(O)c2[nH]1 ZINC000587265928 GD Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587266143 GD Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587266148 GD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(O)nc2[nH]1 ZINC000587266604 GD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(O)nc2[nH]1 ZINC000587266605 GD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(O)nc2[nH]1 ZINC000587266606 GD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(O)nc2[nH]1 ZINC000587266607 GD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)ncnc2[nH]1 ZINC000587267114 GD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)ncnc2[nH]1 ZINC000587267115 GD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)ncnc2[nH]1 ZINC000587267116 GD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)ncnc2[nH]1 ZINC000587267118 GD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587267192 GD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587267197 GD Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(O)nc(N)nc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268026 GD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587268073 GD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587268074 GD Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 ZINC000587268577 GD Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587268807 GD Annotated Bother N[C@@H](CCc1nc2c(Cl)ncnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269449 GD Annotated Bother N[C@@H](CCc1nc2cnc(Cl)[nH]c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269581 GD Annotated Bother NS(=O)(=O)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587269745 GD Annotated Bother CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587269929 GD Annotated Bother CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587270016 GD Annotated Bother Nc1nc(O)c2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2n1 ZINC000587270048 GD Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)nn2)c1 ZINC000587270188 GD Annotated Bother NS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587270378 GD Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(O)nc(O)nc3[nH]2)CC1 ZINC000587270567 GD Annotated Bother NS(=O)(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 ZINC000587270652 GD Annotated Bother N=c1[nH]c2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc-2c(Cl)[nH]1 ZINC000587270946 GD Annotated Bother N[C@@H](CCc1nc2nc(Cl)c[nH]c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270950 GD Annotated Bother COC(=O)c1ccnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587271248 GD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587271658 GD Annotated Bother N[C@@H](CCc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271944 GD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccnc(Cl)c2[nH]1 ZINC000587272115 GD Annotated Bother NC(=O)c1cccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587272293 GD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587272505 GD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Cl)nc2[nH]1 ZINC000587272506 GD Annotated Bother N[C@@H](CCc1nc2c(O)nc(S)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587272819 GD Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 ZINC000587273068 GD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587273203 GD Annotated Bother COCCOCCOCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273679 GD Annotated Anodyne COC(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000587273818 GD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587273860 GD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(Cl)ccnc2[nH]1 ZINC000587274002 GD Annotated Bother CC(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587274025 GD Annotated Bother Cc1cnc(Cl)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587274077 GD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587274130 GD Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587274192 GD Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587274195 GD Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000587274660 GD Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587274927 GD Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587274928 GD Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 ZINC000587275112 GD Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 ZINC000587275191 GD Annotated Bother Cn1nc([N+](=O)[O-])cc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275433 GD Annotated Bother COC(=O)c1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)n(C)n1 ZINC000587275497 GD Annotated Anodyne Cn1nc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1[N+](=O)[O-] ZINC000587275568 GD Annotated Bother Cn1cc([N+](=O)[O-])c(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 ZINC000587276221 GD Annotated Bother COC(=O)c1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)nn1C ZINC000587276281 GD Annotated Anodyne Cn1ncc([N+](=O)[O-])c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276339 GD Annotated Bother COc1n[nH]c(C(=O)c2c(CO)oc3cc(Br)cnc23)c1[N+](=O)[O-] ZINC000587276363 GD Annotated Bother CN1CC(=O)[C@]2(C=C1CN)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336803 GD Annotated Anodyne CN1CC(=O)[C@]2(C=C1CN)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336807 GD Annotated Anodyne CN1CC(=O)[C@@]2(C=C1CN)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336808 GD Annotated Anodyne CN1CC(=O)[C@@]2(C=C1CN)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336810 GD Annotated Anodyne CN1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C=C1CN ZINC000587336828 GD Annotated Mild CN1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C=C1CN ZINC000587336834 GD Annotated Mild CN1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C=C1CN ZINC000587336836 GD Annotated Mild CN1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C=C1CN ZINC000587336838 GD Annotated Mild CCOC(=O)[C@]1(CCBr)CCc2cc3c(O)nc(O)nc3nc21 ZINC000587366652 GD Annotated Reactive CCOC(=O)[C@@]1(CCBr)CCc2cc3c(O)nc(O)nc3nc21 ZINC000587366653 GD Annotated Reactive O=C(O)CS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)c(F)c1 ZINC000587367998 GD Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc3c(O)nc(O)nc3nc2[C@H](C(=O)C(F)(F)F)C1 ZINC000587368083 GD Annotated Anodyne CCOC(=O)[C@H]1Cc2cc3c(O)nc(O)nc3nc2[C@H](C(=O)C(F)(F)F)C1 ZINC000587368087 GD Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc3c(O)nc(O)nc3nc2[C@@H](C(=O)C(F)(F)F)C1 ZINC000587368088 GD Annotated Anodyne CCOC(=O)[C@H]1Cc2cc3c(O)nc(O)nc3nc2[C@@H](C(=O)C(F)(F)F)C1 ZINC000587368089 GD Annotated Anodyne O=c1nc(O)c(-c2ccc3c(O)nc(O)nc3n2)cn1-c1cccnc1Cl ZINC000587368509 GD Annotated Anodyne CC(=O)CC(=O)N(C(=O)Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1C ZINC000587368867 GD Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2-c2ccc3c(O)nc(O)nc3n2)CC1 ZINC000587369016 GD Annotated Anodyne O=C(N=c1nc(Cc2ccc3c(O)nc(O)nc3n2)[nH]s1)c1ccc(F)cc1 ZINC000587369518 GD Annotated Anodyne CCn1ncc(I)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587370113 GD Annotated Anodyne Cc1c(I)cnn1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587370357 GD Annotated Anodyne CCn1cc(I)c(-c2ccc3c(O)nc(O)nc3n2)n1 ZINC000587370486 GD Annotated Anodyne Cc1nn(Cc2ccc3c(O)nc(O)nc3n2)cc1I ZINC000587370862 GD Annotated Anodyne COC(=O)CON=C(C(=O)O)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374558 GD Annotated Reactive COC(=O)CON=C(C(=O)O)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374577 GD Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CC(N)=O)c2ccc(Cl)cc21 ZINC000587380418 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CC(N)=O)c2ccc(Cl)cc21 ZINC000587380427 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(N)nc1N1CCOCC1)O2 ZINC000587380963 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(N)nc1N1CCOCC1)O2 ZINC000587380965 GD Annotated Anodyne COC(=O)c1nnn(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C(=O)OC ZINC000587389763 GD Annotated Anodyne COC(=O)c1nnn(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C(=O)OC ZINC000587389769 GD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390901 GD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390910 GD Annotated Anodyne COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391135 GD Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391138 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(=O)n(C)c(=O)n(C)c3n1C)O2 ZINC000587391147 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(=O)n(C)c(=O)n(C)c3n1C)O2 ZINC000587391153 GD Annotated Anodyne CCn1c(N=CN(C)C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)nc1=O ZINC000587391629 GD Annotated Mild CCn1c(N=CN(C)C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)nc1=O ZINC000587391633 GD Annotated Mild CCOC(=O)C1=C[C@H]([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)C(=O)N(C)C1=N ZINC000587392255 GD Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)C(=O)N(C)C1=N ZINC000587392256 GD Annotated Anodyne CCOC(=O)C1=C[C@@H]([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)C(=O)N(C)C1=N ZINC000587392257 GD Annotated Anodyne CCOC(=O)C1=C[C@@H]([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)C(=O)N(C)C1=N ZINC000587392258 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc3[nH]c(=O)c(=O)[nH]c3c1)O2 ZINC000587394981 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc3[nH]c(=O)c(=O)[nH]c3c1)O2 ZINC000587394994 GD Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395240 GD Annotated Anodyne COC(=O)[C@H]1CN(Cc2ccccn2)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395241 GD Annotated Anodyne COC(=O)[C@H]1CN(Cc2ccccn2)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395242 GD Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395243 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N3CCOCC3)cc1)(C(O)O)O2 ZINC000587398836 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N3CCOCC3)cc1)(C(O)O)O2 ZINC000587398839 GD Annotated Anodyne COc1nc(N)nc(N2CCOCC2)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400472 GD Annotated Anodyne COc1nc(N)nc(N2CCOCC2)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400476 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3nn[nH]n3)Oc3c(N)cccc31)O2 ZINC000587401228 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3nn[nH]n3)Oc3c(N)cccc31)O2 ZINC000587401407 GD Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401807 GD Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401814 GD Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C(=O)OC)CC1=O ZINC000587401816 GD Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C(=O)OC)CC1=O ZINC000587401817 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@H](O)[C@H](O)COCc1ccccc1)O2 ZINC000587404851 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)COCc1ccccc1)O2 ZINC000587404852 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)NCCCO)cc1)O2 ZINC000587408368 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)NCCCO)cc1)O2 ZINC000587408370 GD Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408442 GD Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408448 GD Annotated Anodyne CCOC(=O)[C@H]([C@H]1CCS(=O)(=O)C1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408450 GD Annotated Anodyne CCOC(=O)[C@H]([C@H]1CCS(=O)(=O)C1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408452 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)NCC(=O)O)cc1)O2 ZINC000587409542 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)NCC(=O)O)cc1)O2 ZINC000587409544 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1N1CCS(=O)(=O)CC1)O2 ZINC000587411963 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1N1CCS(=O)(=O)CC1)O2 ZINC000587411976 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1N1CCS(=O)(=O)CC1)O2 ZINC000587411977 GD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1N1CCS(=O)(=O)CC1)O2 ZINC000587411978 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccnc(N)n1)[C@@H](C2)C3=O ZINC000587414338 GD Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccnc(N)n1)[C@@H](C2)C3=O ZINC000587414344 GD Annotated Reactive COC(=O)CON=C(C(=O)O)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417975 GD Annotated Reactive COC(=O)CON=C(C(=O)O)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417984 GD Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419739 GD Annotated Reactive CCOC(=O)[C@@H](Cl)[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419740 GD Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419741 GD Annotated Reactive CCOC(=O)[C@@H](Cl)[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419742 GD Annotated Reactive COc1cc2c3c(c1)O[C@]1(COC(COC(=O)CCl)=CC1=O)[C@@H](C2)C3=O ZINC000587423099 GD Annotated Reactive COc1cc2c3c(c1)O[C@@]1(COC(COC(=O)CCl)=CC1=O)[C@@H](C2)C3=O ZINC000587423103 GD Annotated Reactive COc1cc2c3c(c1)O[C@]1(C=C(COC(=O)CCl)OCC1=O)[C@@H](C2)C3=O ZINC000587423809 GD Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C=C(COC(=O)CCl)OCC1=O)[C@@H](C2)C3=O ZINC000587423810 GD Annotated Reactive CCOC(=O)CN(C)c1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587426687 GD Annotated Anodyne CCOC(=O)CN(C)c1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587426694 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4c(=O)n(C)c(=O)n(C)c4n1C)[C@@H](C2)C3=O ZINC000587429792 GD Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4c(=O)n(C)c(=O)n(C)c4n1C)[C@@H](C2)C3=O ZINC000587429806 GD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429935 GD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429940 GD Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587430016 GD Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587430034 GD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430838 GD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430839 GD Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587431247 GD Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587431254 GD Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](N)C(=O)O)(c1cccc(O)c1N)[C@@H](C2)C3=O ZINC000587431551 GD Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](N)C(=O)O)(c1cccc(O)c1N)[C@@H](C2)C3=O ZINC000587431552 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](N)C(=O)O)(c1cccc(O)c1N)[C@@H](C2)C3=O ZINC000587431553 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](N)C(=O)O)(c1cccc(O)c1N)[C@@H](C2)C3=O ZINC000587431554 GD Annotated Anodyne CCn1nccc1[C@@]1(CC(=O)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431769 GD Annotated Anodyne CCn1nccc1[C@]1(CC(=O)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431770 GD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4N(C)C(=O)[C@H]1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432633 GD Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4ccccc4N(C)C(=O)[C@@H]1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432634 GD Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4ccccc4N(C)C(=O)[C@H]1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432635 GD Annotated Mild COc1cc2c3c(c1)O[C@]1(c4ccccc4N(C)C(=O)[C@@H]1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432636 GD Annotated Mild CCn1cc([C@@]2(CC(=O)C(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587432801 GD Annotated Anodyne CCn1cc([C@]2(CC(=O)C(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587432803 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCOCC1)(c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587432860 GD Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCOCC1)(c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587432903 GD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433161 GD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433162 GD Annotated Anodyne CCn1ccc([C@@]2(CC(=O)C(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587433592 GD Annotated Anodyne CCn1ccc([C@]2(CC(=O)C(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587433594 GD Annotated Anodyne CCn1c(N=CN(C)C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)nc1=O ZINC000587437535 GD Annotated Mild CCn1c(N=CN(C)C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)nc1=O ZINC000587437540 GD Annotated Mild COc1cc2c3c(c1)O[C@@]1(C=C(c4nn[nH]n4)Oc4c(N)cccc41)[C@@H](C2)C3=O ZINC000587437809 GD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4nn[nH]n4)Oc4c(N)cccc41)[C@@H](C2)C3=O ZINC000587437812 GD Annotated Anodyne CCOC(=O)C1=C[C@H]([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C(=O)N(C)C1=N ZINC000587438464 GD Annotated Anodyne CCOC(=O)C1=C[C@@H]([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C(=O)N(C)C1=N ZINC000587438470 GD Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C(=O)N(C)C1=N ZINC000587438471 GD Annotated Anodyne CCOC(=O)C1=C[C@@H]([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C(=O)N(C)C1=N ZINC000587438473 GD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)nc(N)nc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587440534 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)nc(N)nc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587440538 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(N4CCOCC4)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587441537 GD Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(N4CCOCC4)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587441552 GD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)nc(N)nc1N1CCCC1)[C@@H](C2)C3=O ZINC000587442988 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)nc(N)nc1N1CCCC1)[C@@H](C2)C3=O ZINC000587442991 GD Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443629 GD Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443640 GD Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C(=O)OC)CC1=O ZINC000587443647 GD Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C(=O)OC)CC1=O ZINC000587443652 GD Annotated Anodyne COC(=O)c1cc([C@]2(C(O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O ZINC000587444054 GD Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O ZINC000587444110 GD Annotated Anodyne CCOC(=O)[C@@]1(c2csc(NC=O)n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450977 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1N1CCS(=O)(=O)CC1)[C@@H](C2)C3=O ZINC000587451008 GD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1N1CCS(=O)(=O)CC1)[C@@H](C2)C3=O ZINC000587451009 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1N1CCS(=O)(=O)CC1)[C@@H](C2)C3=O ZINC000587451010 GD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1N1CCS(=O)(=O)CC1)[C@@H](C2)C3=O ZINC000587451011 GD Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587451072 GD Annotated Anodyne CCOC(=O)[C@H]1CS(=O)(=O)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587451079 GD Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587451082 GD Annotated Anodyne CCOC(=O)[C@H]1CS(=O)(=O)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587451085 GD Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451284 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(S(N)(=O)=O)cc41)[C@@H](C2)C3=O ZINC000587451681 GD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4ccc(S(N)(=O)=O)cc41)[C@@H](C2)C3=O ZINC000587451696 GD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn([C@]4(C)CCS(=O)(=O)C4)c1)[C@@H](C2)C3=O ZINC000587454117 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn([C@@]4(C)CCS(=O)(=O)C4)c1)[C@@H](C2)C3=O ZINC000587454118 GD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn([C@@]4(C)CCS(=O)(=O)C4)c1)[C@@H](C2)C3=O ZINC000587454119 GD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn([C@]4(C)CCS(=O)(=O)C4)c1)[C@@H](C2)C3=O ZINC000587454120 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]1Cl ZINC000587462705 GD Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](Cl)C(=O)C(=O)[C@H]1Cl ZINC000587462706 GD Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]1Cl ZINC000587462707 GD Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]1Cl ZINC000587462708 GD Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(COC(CN3CCOCC3)=CC1=O)CC2=O ZINC000587473769 GD Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(COC(CN3CCOCC3)=CC1=O)CC2=O ZINC000587473770 GD Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=C(CN3CCOCC3)OCC1=O)CC2=O ZINC000587474777 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(CN3CCOCC3)OCC1=O)CC2=O ZINC000587474778 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N(C)C)n(C)c(=O)n(C)c1=O)CC2=O ZINC000587476510 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N(C)C)n(C)c(=O)n(C)c1=O)CC2=O ZINC000587476513 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3c(c(O)nc(=O)n3C)n1C)CC2=O ZINC000587479096 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3c(c(O)nc(=O)n3C)n1C)CC2=O ZINC000587479099 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2COC[C@@](C(=O)OC)(C1)N2 ZINC000587480750 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2COC[C@@](C(=O)OC)(C1)N2 ZINC000587480761 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(S(=O)(=O)N(C)C)cn1)CC2=O ZINC000587482931 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(S(=O)(=O)N(C)C)cn1)CC2=O ZINC000587482934 GD Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000587489353 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1S(=O)(=O)N(C)C)CC2=O ZINC000587489745 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1S(=O)(=O)N(C)C)CC2=O ZINC000587489748 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nccn1S(=O)(=O)N(C)C)CC2=O ZINC000587490472 GD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nccn1S(=O)(=O)N(C)C)CC2=O ZINC000587490656 GD Annotated Anodyne Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2c1c(O)nc(=O)n2C ZINC000587516769 GD Annotated Anodyne Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2c1c(O)nc(=O)n2C ZINC000587516774 GD Annotated Anodyne CN(C)c1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(=O)n(C)c(=O)n1C ZINC000587517302 GD Annotated Anodyne CN(C)c1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(=O)n(C)c(=O)n1C ZINC000587517303 GD Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)c1 ZINC000587529950 GD Annotated Anodyne O=C1C[C@](CO)(CN[C@@H]2CCS(=O)(=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587533886 GD Annotated Anodyne O=C1C[C@](CO)(CN[C@H]2CCS(=O)(=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587533887 GD Annotated Anodyne O=C1C[C@@](CO)(CN[C@@H]2CCS(=O)(=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587533888 GD Annotated Anodyne O=C1C[C@@](CO)(CN[C@H]2CCS(=O)(=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587533889 GD Annotated Anodyne CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587554489 GD Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587554493 GD Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000587554519 GD Annotated Anodyne Cc1cc(C)c(O)c(-c2nc3nc(O)nc(O)c3cc2C2CC(=O)NC(=O)C2)c1 ZINC000587555490 GD Annotated Anodyne CC1(C)Cc2cc3c(O)nc(O)nc3nc2[C@H]([C@@]2(O)C(=O)Nc3ccccc32)O1 ZINC000587555637 GD Annotated Anodyne CC1(C)Cc2cc3c(O)nc(O)nc3nc2[C@@H]([C@@]2(O)C(=O)Nc3ccccc32)O1 ZINC000587555640 GD Annotated Anodyne CC1(C)Cc2cc3c(O)nc(O)nc3nc2[C@H]([C@]2(O)C(=O)Nc3ccccc32)O1 ZINC000587555643 GD Annotated Anodyne CC1(C)Cc2cc3c(O)nc(O)nc3nc2[C@@H]([C@]2(O)C(=O)Nc3ccccc32)O1 ZINC000587555645 GD Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c(-c2ccc3c(O)nc(O)nc3n2)c1C)OC ZINC000587556164 GD Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587556503 GD Annotated Anodyne CC1(C)C(=O)Nc2ccc(-c3nc4nc(O)nc(O)c4cc3CC(=O)O)cc21 ZINC000587556719 GD Annotated Anodyne O=C1c2ccccc2C(=O)N1[C@@H]1CCCc2cc3c(O)nc(O)nc3nc2C1 ZINC000587557271 GD Annotated Anodyne O=C1c2ccccc2C(=O)N1[C@H]1CCCc2cc3c(O)nc(O)nc3nc2C1 ZINC000587557275 GD Annotated Anodyne O=C(COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)N1CCOCC1 ZINC000587557506 GD Annotated Anodyne CCOC(=O)[C@H]1c2nc3nc(O)nc(O)c3cc2CCN1C(=O)OC(C)(C)C ZINC000587557526 GD Annotated Anodyne CCOC(=O)[C@@H]1c2nc3nc(O)nc(O)c3cc2CCN1C(=O)OC(C)(C)C ZINC000587557528 GD Annotated Anodyne COC(=O)[C@H]1Cc2cc3c(O)nc(O)nc3nc2CN1C(=O)OC(C)(C)C ZINC000587557876 GD Annotated Anodyne COC(=O)[C@@H]1Cc2cc3c(O)nc(O)nc3nc2CN1C(=O)OC(C)(C)C ZINC000587557879 GD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3C[C@H]2[C@@H]1C(=O)O ZINC000587558026 GD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3C[C@@H]2[C@@H]1C(=O)O ZINC000587558029 GD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3C[C@H]2[C@H]1C(=O)O ZINC000587558030 GD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3C[C@@H]2[C@H]1C(=O)O ZINC000587558032 GD Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(Cc2ccc3c(O)nc(O)nc3n2)n1 ZINC000587558074 GD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3[C@@H]2[C@H]1C(=O)O ZINC000587558266 GD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3[C@H]2[C@@H]1C(=O)O ZINC000587558267 GD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3[C@H]2[C@H]1C(=O)O ZINC000587558268 GD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3[C@@H]2[C@@H]1C(=O)O ZINC000587558269 GD Annotated Anodyne O=C(CCN1C(=O)c2ccccc2C1=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587558362 GD Annotated Anodyne O=C1c2ccccc2C(=O)N1C[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587558459 GD Annotated Anodyne O=C1c2ccccc2C(=O)N1C[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587558461 GD Annotated Anodyne COc1cc(OC)c(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1OC ZINC000587558636 GD Annotated Anodyne COc1c2c(c(-c3ccc4c(O)nc(O)nc4n3)c3c1OCO3)CCN(C)C2 ZINC000587558760 GD Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2nc3nc(O)nc(O)c3cc21 ZINC000587558786 GD Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nc3nc(O)nc(O)c3cc21 ZINC000587558788 GD Annotated Anodyne COc1ccc(C(=O)CCc2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 ZINC000587559007 GD Annotated Anodyne COC(=O)[C@H]1c2cc3c(O)nc(O)nc3nc2C[C@H]1C(=O)OCc1ccccc1 ZINC000587559175 GD Annotated Anodyne COc1ccc(C(=O)Cc2cc3c(O)nc(O)nc3nc2CCC(=O)O)cc1 ZINC000587559262 GD Annotated Anodyne Cc1nn(CCC(=O)N2CCOCC2)c(C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587559306 GD Annotated Anodyne CC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccc2c(O)nc(O)nc2n1 ZINC000587559527 GD Annotated Anodyne CC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)c1ccc2c(O)nc(O)nc2n1 ZINC000587559530 GD Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3nc(O)nc(O)c3cc2[C@H]1c1ccccc1 ZINC000587559762 GD Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3nc(O)nc(O)c3cc2[C@@H]1c1ccccc1 ZINC000587559763 GD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3nc(O)nc(O)c3cc2[C@H]1c1ccccc1 ZINC000587559764 GD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3nc(O)nc(O)c3cc2[C@@H]1c1ccccc1 ZINC000587559765 GD Annotated Anodyne COc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c(OC)c1OC ZINC000587559971 GD Annotated Anodyne COc1cc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc(OC)c1OC ZINC000587560015 GD Annotated Anodyne COC(=O)[C@H]1Cc2nc3nc(O)nc(O)c3cc2[C@H]1C(=O)OCc1ccccc1 ZINC000587560238 GD Annotated Anodyne CC(=O)Oc1ccc(C(=O)Cc2ccc3c(O)nc(O)nc3n2)cc1OC(C)=O ZINC000587562020 GD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nc(O)nc(O)c3cc2C)ccc1Cl ZINC000587562492 GD Annotated Anodyne NS(=O)(=O)c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Br ZINC000587562493 GD Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1C[S@@](=O)CC(=O)O ZINC000587562554 GD Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1C[S@](=O)CC(=O)O ZINC000587562555 GD Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(S(=O)(=O)Cl)cc1 ZINC000587562692 GD Annotated Unstable Cc1nc(NC(=O)CCC(=O)O)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587563017 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NNC2=CCc3cc4c(O)nc(O)nc4nc3C2)cc1 ZINC000587563236 GD Annotated Anodyne O=C(N=c1nc(Cc2ccc3c(O)nc(O)nc3n2)[nH]s1)c1ccccc1 ZINC000587563600 GD Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1c(C)nn(CCS(C)(=O)=O)c1C ZINC000587563635 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3c4cc5c(O)nc(O)nc5nc4[C@H]3C2)cc1 ZINC000587563689 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3c4cc5c(O)nc(O)nc5nc4[C@H]3C2)cc1 ZINC000587563698 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3c4nc5nc(O)nc(O)c5cc4[C@@H]3C2)cc1 ZINC000587563699 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3c4cc5c(O)nc(O)nc5nc4[C@@H]3C2)cc1 ZINC000587563700 GD Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CSc1nnnn1C ZINC000587563758 GD Annotated Anodyne O=S(=O)(c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1)N1CCOCC1 ZINC000587564107 GD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587566923 GD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587568427 GD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587568846 GD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587570069 GD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587570338 GD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587570765 GD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587571201 GD Annotated Anodyne [N-]=[N+]=C[C@]1(CC[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578715 GD Annotated Clean [N-]=[N+]=C[C@@]1(CC[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578716 GD Annotated Clean [N-]=[N+]=C[C@]1(CC[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578717 GD Annotated Clean [N-]=[N+]=C[C@@]1(CC[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578718 GD Annotated Clean C[C@]1(CN2C(=O)COCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581099 GD Annotated Anodyne C[C@@]1(CN2C(=O)COCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581103 GD Annotated Anodyne C[C@@]1(CN2C(=O)COCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581105 GD Annotated Anodyne C[C@]1(CN2C(=O)COCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581106 GD Annotated Anodyne CN1C[C@H](O)C2=CC(=O)[C@]3(C=C21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587584070 GD Annotated Mild CN1C[C@H](O)C2=CC(=O)[C@]3(C=C21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587584071 GD Annotated Mild CN1C[C@H](O)C2=CC(=O)[C@@]3(C=C21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587584072 GD Annotated Mild CN1C[C@H](O)C2=CC(=O)[C@@]3(C=C21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587584073 GD Annotated Mild CCOC(=O)[C@@H]1CCNC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596257 GD Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596258 GD Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596259 GD Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596260 GD Annotated Anodyne C[C@]1(CC(=O)N2CCNC(=O)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596662 GD Annotated Anodyne C[C@@]1(CC(=O)N2CCNC(=O)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596664 GD Annotated Anodyne C[C@@]1(CC(=O)N2CCNC(=O)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596666 GD Annotated Anodyne C[C@]1(CC(=O)N2CCNC(=O)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596667 GD Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)COP(=O)(O)O ZINC000587607200 GD Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)COP(=O)(O)O ZINC000587607209 GD Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)COP(=O)(O)O ZINC000587607210 GD Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)COP(=O)(O)O ZINC000587607211 GD Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)COP(=O)(O)O ZINC000587607212 GD Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)COP(=O)(O)O ZINC000587607213 GD Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)COP(=O)(O)O ZINC000587607214 GD Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)COP(=O)(O)O ZINC000587607215 GD Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)N1CCNC(=O)C1 ZINC000587623830 GD Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587637979 GD Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587637991 GD Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587637992 GD Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587637994 GD Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c([C@@H](O)[C@H](O)[C@H](O)CO)c(N3CCOCC3)c2c1 ZINC000587642981 GD Annotated Anodyne CC[C@H](C)c1ccc2[nH]c([C@@H](O)[C@H](O)[C@H](O)CO)c(N3CCOCC3)c2c1 ZINC000587642985 GD Annotated Anodyne Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587648318 GD Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587648319 GD Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587648320 GD Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587648321 GD Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587648908 GD Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587649021 GD Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587649022 GD Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587649023 GD Annotated Bother CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3ccc(S(C)(=O)=O)cc23)n1 ZINC000587649982 GD Annotated Anodyne COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650548 GD Annotated Anodyne CCn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(=O)OC)cn1 ZINC000587650623 GD Annotated Anodyne COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650701 GD Annotated Anodyne Cn1nccc1C(=O)c1c(-c2ccnn2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650848 GD Annotated Anodyne CCn1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(=O)OC)n1 ZINC000587650862 GD Annotated Anodyne CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650897 GD Annotated Anodyne CCn1nccc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(=O)OC ZINC000587650998 GD Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651235 GD Annotated Anodyne NNC(=O)c1cc(Cl)cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587651253 GD Annotated Reactive COC(=O)c1nnn(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c1C(=O)OC ZINC000587651770 GD Annotated Anodyne NNC(=O)c1nc(-n2ncc3ccc(Cl)cc3c2=O)c(Cl)c(N)c1Cl ZINC000587652092 GD Annotated Reactive C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652320 GD Annotated Anodyne COc1nn(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587652798 GD Annotated Bother NNC(=O)CCSSCCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653565 GD Annotated Reactive O=C(C[S@](=O)Cn1cc(Cl)cn1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653722 GD Annotated Anodyne O=C(C[S@@](=O)Cn1cc(Cl)cn1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653729 GD Annotated Anodyne CN1CC(=O)N(CCCCC(=O)n2ncc3ccc(Cl)cc3c2=O)C1=O ZINC000587654030 GD Annotated Anodyne CCS(=O)(=O)N1CCC(C(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 ZINC000587654596 GD Annotated Anodyne CN(C)S(=O)(=O)c1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587654677 GD Annotated Anodyne O=C(CN1CCN(c2ncccn2)CC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654707 GD Annotated Anodyne NS(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)c([N+](=O)[O-])c1 ZINC000587654866 GD Annotated Bother O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)NC2CC2)cn1 ZINC000587654983 GD Annotated Anodyne O=C(Cn1c(O)nc2ccccc2c1=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587655172 GD Annotated Anodyne CCS(=O)(=O)N1CCC[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 ZINC000587655262 GD Annotated Anodyne CCS(=O)(=O)N1CCC[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 ZINC000587655263 GD Annotated Anodyne Nc1ncn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587656662 GD Annotated Anodyne N=c1nn[nH]n1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657002 GD Annotated Anodyne CNC(=O)CNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658472 GD Annotated Anodyne CNC(=O)c1nc[nH]c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660690 GD Annotated Anodyne CN(CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)S(C)(=O)=O ZINC000587660876 GD Annotated Anodyne C[C@@H](NS(C)(=O)=O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661668 GD Annotated Anodyne C[C@H](NS(C)(=O)=O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661671 GD Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587666773 GD Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587666934 GD Annotated Reactive CCN(CC)c1ccc(-c2nn(-c3nncn3N)c(=O)c3ccccc23)c(O)c1 ZINC000587667111 GD Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(N)=O)c(=O)c3ccccc23)cc1OCC ZINC000587668670 GD Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(=O)NN)c(=O)c3ccccc23)cc1OCC ZINC000587668795 GD Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1 ZINC000587746626 GD Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1 ZINC000587746627 GD Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1 ZINC000587746628 GD Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1 ZINC000587746629 GD Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1 ZINC000587747289 GD Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1 ZINC000587747290 GD Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1 ZINC000587747291 GD Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=[N+]=[N-])(CC[C@H](N)C(=O)O)N1 ZINC000587747292 GD Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)NC=C2[N+](=O)[O-] ZINC000587752550 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)NC=C2[N+](=O)[O-] ZINC000587752554 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)NC=C2[N+](=O)[O-] ZINC000587752555 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)NC=C2[N+](=O)[O-] ZINC000587752556 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)NC=C2[N+](=O)[O-] ZINC000587752689 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)NC=C2[N+](=O)[O-] ZINC000587752691 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)NC=C2[N+](=O)[O-] ZINC000587752692 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)NC=C2[N+](=O)[O-] ZINC000587752693 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587756282 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587756283 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587756284 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587756285 GD Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c(=O)n1C ZINC000587757240 GD Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c(=O)n1C ZINC000587757241 GD Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c(=O)n1C ZINC000587757242 GD Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c(=O)n1C ZINC000587757243 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)COCC2=O)N1 ZINC000587759882 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)COCC2=O)N1 ZINC000587759883 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)COCC2=O)N1 ZINC000587759884 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)COCC2=O)N1 ZINC000587759885 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)COCC2=O)N1 ZINC000587761067 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)COCC2=O)N1 ZINC000587761068 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)COCC2=O)N1 ZINC000587761069 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)COCC2=O)N1 ZINC000587761070 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587761738 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587761739 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587761740 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)n(C)c(=O)n(C)c2=O)N1 ZINC000587761741 GD Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c(=O)n1C ZINC000587762644 GD Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c(=O)n1C ZINC000587762645 GD Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c(=O)n1C ZINC000587762646 GD Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c(=O)n1C ZINC000587762647 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N2CCNC(=O)C2)N1 ZINC000587764034 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N2CCNC(=O)C2)N1 ZINC000587764035 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N2CCNC(=O)C2)N1 ZINC000587764036 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N2CCNC(=O)C2)N1 ZINC000587764037 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N2CCNC(=O)C2)N1 ZINC000587769680 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N2CCNC(=O)C2)N1 ZINC000587769681 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N2CCNC(=O)C2)N1 ZINC000587769682 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N2CCNC(=O)C2)N1 ZINC000587769683 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587775492 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587775501 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587775504 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587775506 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587775560 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587775569 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587775571 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587775572 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587777063 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587777065 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587777067 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587777069 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587777095 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587777096 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587777097 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(C)c(=O)n(C)c2=O)N1 ZINC000587777098 GD Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587784049 GD Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587785111 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1CCN(CC1)C2(CO)CO ZINC000587788819 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1CCN(CC1)C2(CO)CO ZINC000587788821 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1CCN(CC1)C2(CO)CO ZINC000587788823 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1CCN(CC1)C2(CO)CO ZINC000587788825 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1CCN(CC1)C2(CO)CO ZINC000587792566 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1CCN(CC1)C2(CO)CO ZINC000587792567 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1CCN(CC1)C2(CO)CO ZINC000587792569 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1CCN(CC1)C2(CO)CO ZINC000587792571 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)C[C@@H](O)[C@@H]2O)N1 ZINC000587819401 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)C[C@@H](O)[C@@H]2O)N1 ZINC000587819429 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)C[C@@H](O)[C@@H]2O)N1 ZINC000587819432 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)C[C@@H](O)[C@@H]2O)N1 ZINC000587819433 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)C[C@@H](O)[C@@H]2O)N1 ZINC000587823266 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)C[C@@H](O)[C@@H]2O)N1 ZINC000587823268 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)C[C@@H](O)[C@@H]2O)N1 ZINC000587823271 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)C[C@@H](O)[C@@H]2O)N1 ZINC000587823273 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)O[C@@H](CO)C2=O)N1 ZINC000587833293 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)O[C@@H](CO)C2=O)N1 ZINC000587833294 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)O[C@H](CO)C2=O)N1 ZINC000587833295 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)O[C@H](CO)C2=O)N1 ZINC000587833296 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C=C(CO)O[C@H]2CO ZINC000587833455 GD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C=C(CO)O[C@H]2CO ZINC000587833460 GD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C=C(CO)O[C@@H]2CO ZINC000587833463 GD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C=C(CO)O[C@@H]2CO ZINC000587833465 GD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)O[C@@H](CO)C2=O)N1 ZINC000587833724 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)O[C@@H](CO)C2=O)N1 ZINC000587833726 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)O[C@H](CO)C2=O)N1 ZINC000587833728 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)O[C@H](CO)C2=O)N1 ZINC000587833731 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C=C(CO)O[C@H]2CO ZINC000587835379 GD Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C=C(CO)O[C@H]2CO ZINC000587835380 GD Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C=C(CO)O[C@@H]2CO ZINC000587835381 GD Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C=C(CO)O[C@@H]2CO ZINC000587835382 GD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)COP(=O)(O)O)N1 ZINC000587848883 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)COP(=O)(O)O)N1 ZINC000587848884 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)COP(=O)(O)O)N1 ZINC000587848885 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)COP(=O)(O)O)N1 ZINC000587848886 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)COP(=O)(O)O)N1 ZINC000587848887 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)COP(=O)(O)O)N1 ZINC000587848888 GD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)COP(=O)(O)O)N1 ZINC000587848889 GD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)COP(=O)(O)O)N1 ZINC000587848890 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)COP(=O)(O)O)N1 ZINC000587851536 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)COP(=O)(O)O)N1 ZINC000587851537 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)COP(=O)(O)O)N1 ZINC000587851540 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)COP(=O)(O)O)N1 ZINC000587851542 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)COP(=O)(O)O)N1 ZINC000587851544 GD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)COP(=O)(O)O)N1 ZINC000587851546 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)COP(=O)(O)O)N1 ZINC000587851547 GD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)COP(=O)(O)O)N1 ZINC000587851548 GD Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1[nH]nnc1=N ZINC000587859250 GD Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nn(C)c(=O)n(C)c1=O ZINC000587866060 GD Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1[nH]nnc1=N ZINC000587866499 GD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000587867801 GD Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(=O)NN)ccn1 ZINC000587868736 GD Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C(=O)NN)n1 ZINC000587868810 GD Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(=O)n(C)c(=O)n1C ZINC000587869406 GD Annotated Anodyne CNC(=O)c1nc[nH]c1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587870052 GD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN(C)CC1 ZINC000587870201 GD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN(C)S(C)(=O)=O ZINC000587870270 GD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCS(=O)(=O)CC1 ZINC000587872935 GD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1ncn2nccc2c1=O ZINC000587873015 GD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC000587873409 GD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CN(S(C)(=O)=O)CCO1 ZINC000587873415 GD Annotated Anodyne O=C(c1ccn(Cn2cnc([N+](=O)[O-])n2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875628 GD Annotated Bother CCOC(=O)c1nn(C(=O)c2n[nH]c(C)c2Br)c(OCC)c1C#N ZINC000587875737 GD Annotated Mild CCOC(=O)c1nn(C(=O)c2c(Br)cnn2C)c(OCC)c1C#N ZINC000587876666 GD Annotated Mild Cn1nc(SCC(=O)n2nc3cc2oc2ccc(F)cc32)c(=O)n(C)c1=O ZINC000587876946 GD Annotated Anodyne COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)nn1 ZINC000587880006 GD Annotated Mild COC(=O)c1nc(N)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880970 GD Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(CO)nc1C(=O)O ZINC000587881541 GD Annotated Mild COC(=O)c1nc(=N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]1 ZINC000587881701 GD Annotated Mild COC(=O)c1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587889951 GD Annotated Mild COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1NN ZINC000587889966 GD Annotated Mild COC(=O)c1cnc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587890227 GD Annotated Mild O=C(O)Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1=O ZINC000587891088 GD Annotated Mild CCn1c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)nc1=O ZINC000587891241 GD Annotated Mild NS(=O)(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587896703 GD Annotated Mild COc1ccc(Cl)cc1C#Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)nc1O ZINC000587912578 GD Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)ncn(CCS(C)(=O)=O)c1=O ZINC000587917450 GD Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)c([N+](=O)[O-])cc1S(N)(=O)=O ZINC000587918445 GD Annotated Mild COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1OC ZINC000587926810 GD Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cc(O)cc(C(=O)O)c2)c1OC ZINC000587926831 GD Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cc(O)cc(C(=O)O)c2)c1OC ZINC000587926833 GD Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587927911 GD Annotated Anodyne Nc1c(Br)cccc1-n1c(O)cc([C@@H](CC(=O)O)C(=O)O)c1O ZINC000587937354 GD Annotated Anodyne Nc1c(Br)cccc1-n1c(O)cc([C@H](CC(=O)O)C(=O)O)c1O ZINC000587937360 GD Annotated Anodyne Nc1cccc(Br)c1-n1c(O)cc([C@@H](CC(=O)O)C(=O)O)c1O ZINC000587937641 GD Annotated Anodyne Nc1cccc(Br)c1-n1c(O)cc([C@H](CC(=O)O)C(=O)O)c1O ZINC000587937642 GD Annotated Anodyne Nc1cccc(Br)c1-n1c(O)c(CC(=O)O)c(CC(=O)O)c1O ZINC000587937644 GD Annotated Anodyne Nc1c(Br)cccc1-n1c(O)c(CC(=O)O)c(CC(=O)O)c1O ZINC000587937829 GD Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2ccnc(CCl)n2)c1OC ZINC000587939066 GD Annotated Reactive O=C(O)CCc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587939071 GD Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(NCc2ccccc2Br)c1O ZINC000587939420 GD Annotated Anodyne Cc1ncc(-n2c(O)cc([C@@H](CC(=O)O)C(=O)O)c2O)nc1Br ZINC000587939841 GD Annotated Anodyne O=C(O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587939853 GD Annotated Anodyne Cc1ncc(-n2c(O)cc([C@H](CC(=O)O)C(=O)O)c2O)nc1Br ZINC000587939854 GD Annotated Anodyne Cc1ncc(-n2c(O)c(CC(=O)O)c(CC(=O)O)c2O)nc1Br ZINC000587940123 GD Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587940507 GD Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1ccnc(Br)c1 ZINC000587940814 GD Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2ccnc(CCl)n2)c1OC ZINC000587941653 GD Annotated Reactive O=C1Cc2c3c(n(-c4cc(C(=O)O)ncc4Br)c2O1)OC(=O)C3 ZINC000587942241 GD Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1cnc(Cc2ccc(F)cc2)nc1)C(=O)O ZINC000587944557 GD Annotated Anodyne N[C@@H](CCOc1ccc(O)n1[C@H](COc1cc(F)cc(F)c1)N=O)C(=O)O ZINC000587944763 GD Annotated Anodyne N[C@@H](CCOc1ccc(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O)C(=O)O ZINC000587944773 GD Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587945693 GD Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1nc(N2CCCCC2)ncc1F)C(=O)O ZINC000587946179 GD Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587946233 GD Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587946660 GD Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587946669 GD Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587956140 GD Annotated Anodyne C[C@H](CCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)CC(=O)O ZINC000587962332 GD Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587962528 GD Annotated Anodyne C[C@H](CCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)CC(=O)O ZINC000587962932 GD Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587963132 GD Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587963974 GD Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587963975 GD Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587963976 GD Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587963977 GD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 ZINC000587970530 GD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2c1 ZINC000587970531 GD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 ZINC000587970532 GD Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587970567 GD Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970568 GD Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@H]1C(=O)O ZINC000587970569 GD Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1 ZINC000587970609 GD Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3[C@H](C(=O)O)[C@H]3C(=O)O)nc2c1 ZINC000587970610 GD Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1 ZINC000587970611 GD Annotated Anodyne C=C1[C@@H]2[C@@H](O)[C@H](O)[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC(=O)[C@@]3([C@@H]1OC(C)=O)[C@@H]2O ZINC000059046359 GD Annotated Mild COC(=C\C(C)=C\[C@@H]1CCC[C@]2(O)O[C@@H]3C(=CC(=O)[C@@H]4O[C@@H]43)[C@@H]12)/C=C/C(=O)O ZINC000059046577 GD Annotated Mild CS(=O)(=O)Nc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(C3CCC3)CC2)c1 ZINC000059050481 GD Annotated Anodyne CC(=O)CC[C@@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@@H]1O ZINC000059065249 GD Annotated Clean in-vitro CC(=O)CC[C@@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@H]1O ZINC000059065255 GD Annotated Clean in-vitro CC(=O)CC[C@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@H]1O ZINC000059065256 GD Annotated Clean in-vitro CC(=O)CC[C@@H](CO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000059066151 GD Annotated Clean in-vitro CC(=O)CC[C@H](CO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000059066153 GD Annotated Clean in-vitro C=C1C(=O)[C@@]23[C@@H]([C@@H](O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000059086048 GD Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@H]2CCC[C@@H]3C(=O)O[C@@H](C4=C(C)C(=O)O[C@]41O)[C@]32C ZINC000059129323 GD Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)O)C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000059206903 GD Annotated Mild in-vitro C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000059211674 GD Annotated Mild in-vitro biogenic C[C@]12C[C@@H](O)[C@H](O)CC1=CC[C@H]1C(=O)O[C@@H]3CO[C@]4(C)OC=C(CC[C@@H]12)[C@]34O ZINC000059585811 GD Annotated Anodyne in-vitro biogenic COc1ccc(CCc2cc(=O)c3c(o2)[C@H](Cl)[C@@H](O)[C@@H](O)[C@H]3O)cc1O ZINC000059586251 GD Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C(=O)C2=C(C(=O)[C@]13C[C@@H]3C)[C@H](O)[C@@H](O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000059779043 GD Annotated Mild CC(C)c1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)cs1 ZINC000059796199 GD Annotated Anodyne CC(C)c1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)cs1 ZINC000059796201 GD Annotated Anodyne NC(=O)C1CCN([C@@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1 ZINC000059860436 GD Annotated Anodyne NC(=O)C1CCN([C@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1 ZINC000059860441 GD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)[C@H](C)CC ZINC000006003353 GD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)[C@@H](C)CC ZINC000006003355 GD Annotated Mild in-vitro biogenic Cc1c(C)c(S(=O)(=O)N(CCCN)OCCCN)c(C)c2c1OC(C)(C)C2 ZINC000006004218 GD Annotated Anodyne CN(C)CN1C(=O)/C(=N\n2c(S)nnc2-c2ccncc2)c2ccccc21 ZINC000006018569 GD Annotated Mild COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@]43O ZINC000006018794 GD Annotated Anodyne in-vitro biogenic CC(C)CC[C@@]1(O)[C@]23OC(=O)[C@@]1(O)[C@H](C)C(=O)C2=Cc1cccc(O)c1[C@@H]3O ZINC000006030463 GD Annotated Mild in-vitro CC(C)CC[C@@]1(O)[C@]23OC(=O)[C@@]1(O)[C@H](C)C(=O)C2=Cc1cccc(O)c1[C@H]3O ZINC000006030464 GD Annotated Mild in-vitro COC1=C(C)[C@]2(O)CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C ZINC000006031329 GD Annotated Mild in-vitro biogenic Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N(C)C1CCN(C)CC1 ZINC000006044526 GD Annotated Anodyne O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1/C=N/CCN1CCCCC1 ZINC000006058908 GD Annotated Mild CCCN(C(=O)CN1C(=O)NC2(CCCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000006086778 GD Annotated Anodyne Cn1c(=O)[nH]c(N2CCC(O)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000006188047 GD Annotated Anodyne CCOC(=O)C1=C(C)O[C@@]2(O)C=CC(O)=C3C(=O)N(c4ccccc4)C(=O)[C@]312 ZINC000006385590 GD Annotated Anodyne CCOC(=O)C1=C(C)O[C@@]2(O)C=CC(O)=C3C(=O)N(c4ccccc4)C(=O)[C@@]312 ZINC000006385591 GD Annotated Anodyne CCOC(=O)C1=C(C)O[C@]2(O)C=CC(O)=C3C(=O)N(c4ccccc4)C(=O)[C@]312 ZINC000006385592 GD Annotated Anodyne CCOC(=O)C1=C(C)O[C@]2(O)C=CC(O)=C3C(=O)N(c4ccccc4)C(=O)[C@@]312 ZINC000006385593 GD Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@@H](O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000006437611 GD Annotated Mild in-man CN(C)C(=O)C(F)(F)[C@@H](c1ccc(F)cc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000006437662 GD Annotated Anodyne COc1ccc([C@@H](C2C(=O)N(C)C(=O)N(C)C2=O)C(F)(F)C(=O)N(C)C)cc1 ZINC000006437663 GD Annotated Anodyne COC1=C[C@H](C)[C@H]2C[C@H]3O[C@@H](O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000006480814 GD Annotated Mild in-man COc1cc2c(cc1OCCCOS(C)(=O)=O)N=C[C@@H]1CCCN1C2=O ZINC000006483914 GD Annotated Mild C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CC(=O)N=C1S ZINC000006485476 GD Annotated Anodyne C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CC(=O)N=C1S ZINC000006491440 GD Annotated Anodyne CCN(CCCl)[P@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O ZINC000060132394 GD Annotated Reactive CCN(CCCl)[P@@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O ZINC000060132397 GD Annotated Reactive Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CNCCS4)nc23)cn1 ZINC000060329717 GD Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CNCCS4)nc23)cn1 ZINC000060329718 GD Annotated Anodyne CNC(=O)COc1coc(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O ZINC000061714935 GD Annotated Clean COCCNC(=O)[C@]1(C)CCCN(CCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000061895459 GD Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(CCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000061895460 GD Annotated Anodyne CC(C)N(C)c1ncnc2c1ncn2[C@H]1CN(Cc2ccco2)C[C@@H](CO)O1 ZINC000061895691 GD Annotated Anodyne CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C=O)CC(=O)N(C)C ZINC000061896164 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000061896524 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000061896525 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000061897789 GD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000061897790 GD Annotated Anodyne CCN(CC)c1ncnc2c1ncn2[C@H]1CN(Cc2ccco2)C[C@@H](CO)O1 ZINC000061898328 GD Annotated Anodyne COc1ccc(CNC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061898365 GD Annotated Anodyne CC(=O)Nc1ccc(NC(=O)c2csc([C@@H]3C[C@H](O)[C@@H](CO)O3)n2)cc1 ZINC000061898437 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000061898728 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000061898729 GD Annotated Anodyne CC(=O)NCCNC(=O)[C@]1(C)Cc2c(-c3ccc(NC(C)=O)cc3)ccnc2O1 ZINC000061902497 GD Annotated Anodyne CC(=O)NCCNC(=O)[C@@]1(C)Cc2c(-c3ccc(NC(C)=O)cc3)ccnc2O1 ZINC000061902499 GD Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccs1 ZINC000061902657 GD Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccs1 ZINC000061902658 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1ccccc1 ZINC000061902687 GD Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1ccccc1 ZINC000061902688 GD Annotated Mild CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000061902999 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000061903000 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000061903066 GD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000061903067 GD Annotated Anodyne CC(=O)NCCNC(=O)[C@@H]1Cc2c(-c3cccc(NC(C)=O)c3)ccnc2O1 ZINC000061903068 GD Annotated Anodyne CC(=O)NCCNC(=O)[C@H]1Cc2c(-c3cccc(NC(C)=O)c3)ccnc2O1 ZINC000061903069 GD Annotated Anodyne O=C(Nc1ccc2c(c1)CCO2)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061903229 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(OC)c(F)c2)C1 ZINC000061903285 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(OC)c(F)c2)C1 ZINC000061903286 GD Annotated Anodyne CC(=O)Nc1ccc(NC(=O)c2csc([C@H]3C[C@H](O)[C@@H](CO)O3)n2)cc1 ZINC000061903291 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000061903327 GD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000061903328 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000061903464 GD Annotated Mild CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000061903465 GD Annotated Mild CCc1nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn2c1N(CC)C(C)=O ZINC000061903484 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)C1CCCCC1 ZINC000061903628 GD Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)C1CCCCC1 ZINC000061903629 GD Annotated Mild Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2c(C)noc2C)cc1 ZINC000061904215 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2c(C)noc2C)cc1 ZINC000061904216 GD Annotated Anodyne CCN(CC)c1ncnc2c1ncn2[C@H]1CN(Cc2ccncc2)C[C@@H](CO)O1 ZINC000061904279 GD Annotated Anodyne COc1cc(NC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc(OC)c1 ZINC000061904297 GD Annotated Anodyne CC(C)Oc1cccc(C(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)c1 ZINC000061904355 GD Annotated Anodyne COc1ccccc1CNC(=O)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061904387 GD Annotated Anodyne Cc1ccc(F)cc1C(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061904629 GD Annotated Anodyne Cc1ccc(F)cc1C(=O)N1CCC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061904630 GD Annotated Anodyne Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@]1(C)C(=O)NS(C)(=O)=O ZINC000061904710 GD Annotated Anodyne Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@]1(C)C(=O)NS(C)(=O)=O ZINC000061904711 GD Annotated Anodyne Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2c(C)noc2C)c1 ZINC000061904757 GD Annotated Anodyne Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2c(C)noc2C)c1 ZINC000061904758 GD Annotated Anodyne O=C(NCC(F)(F)F)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061904792 GD Annotated Anodyne COc1ccccc1C(=O)N1CCC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061904862 GD Annotated Anodyne COc1ccccc1C(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061904863 GD Annotated Anodyne Nc1ncnc2c1ccn2[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H](CO)O1 ZINC000061904932 GD Annotated Anodyne CC(C)N(c1ccccc1)c1ccc(NC(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC000061905135 GD Annotated Anodyne CC(C)Oc1cccc(C(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)c1 ZINC000061905143 GD Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1 ZINC000061905147 GD Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1 ZINC000061905148 GD Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061905153 GD Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061905154 GD Annotated Anodyne COc1ccc(CNC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061905272 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1ccco1 ZINC000061905645 GD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1ccco1 ZINC000061905646 GD Annotated Anodyne CN(C)c1ccc(NC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061905964 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC000061906000 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC000061906001 GD Annotated Anodyne CC(=O)Nc1cccc(-c2cc(N3CCN(CCO)CC3)n3nccc3n2)c1 ZINC000061906146 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)COCc2ccccc2)C1 ZINC000061906207 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)COCc2ccccc2)C1 ZINC000061906208 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1ccccc1 ZINC000061906359 GD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1ccccc1 ZINC000061906360 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(OC)cc2OC)C1 ZINC000061906411 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(OC)cc2OC)C1 ZINC000061906412 GD Annotated Anodyne CCCCN(C=O)c1c(CC)nc2c(OCC(=O)N3CCOCC3)cccn12 ZINC000061906434 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)C1CC1 ZINC000061906672 GD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)C1CC1 ZINC000061906673 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)CC1CCCC1 ZINC000061906693 GD Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)CC1CCCC1 ZINC000061906694 GD Annotated Mild CC(C)N(C)c1ncnc2c1ncn2[C@H]1CN(Cc2ccncc2)C[C@@H](CO)O1 ZINC000061907424 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061907697 GD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061907698 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)CSc2ccccc2)C1 ZINC000061907886 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)CSc2ccccc2)C1 ZINC000061907887 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000061907960 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000061907961 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000061908281 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000061908282 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000061908610 GD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000061908611 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC000061908850 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC000061908851 GD Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCc2ccco2)CC(C(=O)N(C)C)=C1C ZINC000061920981 GD Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N(C)C)=C1C ZINC000061920982 GD Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)N[C@]21CCCN(Cc2ccco2)C1=O ZINC000061921258 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061921568 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061921584 GD Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000061921786 GD Annotated Anodyne CN1CCn2cnc(C(=O)NCCCCCNC(=O)OC(C)(C)C)c2C1=O ZINC000061921823 GD Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn3c2c(=O)[nH]c2ccccc23)CC1 ZINC000061921831 GD Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC2CC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921997 GD Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC2CC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921999 GD Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000061922232 GD Annotated Anodyne COc1c2c(c(OC)c3ccccc13)[C@@]1(OC2)O[C@H](CCO)C[C@H](O)[C@H]1O ZINC000061922616 GD Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NC2CC2)C1 ZINC000061922990 GD Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NC2CC2)C1 ZINC000061922991 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 ZINC000061925591 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 ZINC000061925592 GD Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)on1 ZINC000061925792 GD Annotated Anodyne CCCNC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)on1 ZINC000061925793 GD Annotated Anodyne COc1ccc(C(=O)N2CC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)cc1F ZINC000061926126 GD Annotated Anodyne COc1ccc(C(=O)N2CC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)cc1F ZINC000061926127 GD Annotated Anodyne CCCCN(C=O)c1c(CC)nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn12 ZINC000061926254 GD Annotated Anodyne CCc1nc2ccc(C(=O)NCCNC(C)=O)cn2c1N(CC)CCOC ZINC000061926987 GD Annotated Anodyne Cc1cc(C(=O)N2CC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)n(C(C)(C)C)n1 ZINC000061927862 GD Annotated Anodyne Cc1cc(C(=O)N2CC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)n(C(C)(C)C)n1 ZINC000061927863 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000061927868 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000061927869 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)CC1CCCC1 ZINC000061928901 GD Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)CC1CCCC1 ZINC000061928902 GD Annotated Mild Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)c1c(C)noc1C ZINC000061929303 GD Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)c1c(C)noc1C ZINC000061929305 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)CSc2ccccc2)C1 ZINC000061930214 GD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)CSc2ccccc2)C1 ZINC000061930215 GD Annotated Anodyne COc1ccc(OC)c(NC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)c1 ZINC000061930367 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccccc2OC(C)=O)C1 ZINC000061930761 GD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccccc2OC(C)=O)C1 ZINC000061930762 GD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)c1cccc(F)c1 ZINC000061930883 GD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)c1cccc(F)c1 ZINC000061930884 GD Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)[C@H](C)NC(=O)[C@@]12C ZINC000061931349 GD Annotated Anodyne c1ccc(COc2ncnc3c2ncn3CCCNCCN2CCOCC2)cc1 ZINC000061936011 GD Annotated Anodyne CCOC(=O)c1cc2c(c(CCO)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000061943253 GD Annotated Anodyne CCOC(=O)c1cc2c(c(CCO)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000061943255 GD Annotated Anodyne CCOC(=O)c1cc2c(c(CCO)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000061943308 GD Annotated Anodyne CCOC(=O)c1cc2c(c(CCO)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000061943309 GD Annotated Anodyne COC(=O)c1ccc2c(c1C(=O)OC)CN(S(=O)(=O)C(C)(C)C)[C@H]2CCO ZINC000061943325 GD Annotated Anodyne COC(=O)c1ccc2c(c1C(=O)OC)CN(S(=O)(=O)C(C)(C)C)[C@@H]2CCO ZINC000061943338 GD Annotated Anodyne O=Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 ZINC000061943376 GD Annotated Anodyne CS(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000061944518 GD Annotated Reactive CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCC3CC3)N1[C@@]2(CC)C(=O)OC ZINC000061944627 GD Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SC)N21 ZINC000061944649 GD Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccccc3)N21 ZINC000061944673 GD Annotated Anodyne COCCS(=O)(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)OC ZINC000061944734 GD Annotated Anodyne C#CCN1CCS(=O)(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C1=O ZINC000061944837 GD Annotated Mild CCCN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000061945696 GD Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)OCc2cnnn2CCCC1=O ZINC000061945807 GD Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)CC1CC1 ZINC000061946089 GD Annotated Anodyne COC(=O)c1ccc(CNC(=O)Cn2cnc3c(SC)nc(N)nc32)cc1 ZINC000061947338 GD Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CCCC/C=C\C[C@H](CC(=O)NCCO)C(=O)N1 ZINC000061948453 GD Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@H]2N2C(=O)CNC(=O)[C@@]12C ZINC000061948811 GD Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)[C@@H](C)NC(=O)[C@@]12C ZINC000061948819 GD Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C1=O)N2C(=O)c1ccc(C)cc1 ZINC000061949135 GD Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccc(Cl)cc1 ZINC000061949155 GD Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(Cl)cc1 ZINC000061949189 GD Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061949216 GD Annotated Anodyne O=C(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1=C(N2CCCC2)COC1=O ZINC000061949581 GD Annotated Bother O=C1CCCN1CCCNc1c([N+](=O)[O-])n[n+](-c2ccc(Cl)cc2)n1O ZINC000061958042 GD Annotated Bother CCOC(=O)C1=CNS(=O)(=O)N[C@@H]1c1ccc(Br)cc1F ZINC000061958906 GD Annotated Anodyne CCOC(=O)C1=CNS(=O)(=O)N[C@H]1c1ccc(Br)cc1F ZINC000061958908 GD Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(Br)c2)S(=O)(=O)N[C@@H]1C ZINC000061958951 GD Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(Br)c2)S(=O)(=O)N[C@H]1C ZINC000061958954 GD Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(Br)cc2)S(=O)(=O)N[C@@H]1C ZINC000061958970 GD Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(Br)cc2)S(=O)(=O)N[C@H]1C ZINC000061958974 GD Annotated Anodyne COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(O)=C(C)C(=O)[C@@H](O)[C@]1(C)OC ZINC000618005761 GD Annotated Mild COC(=O)c1c(C)cc(O)c(C)c1O[C@@H]1C(O)=C(C)C(=O)[C@H](O)[C@]1(C)OC ZINC000618005776 GD Annotated Mild Cc1ncsc1C(=O)N1CCC(C(=O)NCCSSCCN)CC1 ZINC000618007638 GD Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1ccc(O)c(F)c1 ZINC000618007709 GD Annotated Reactive CO/N=C(/C(=O)NCCSSCCN(C)C)c1csc(NC=O)n1 ZINC000618007828 GD Annotated Reactive NCCSSCCNC(=O)C1CCN(C(=O)c2ccncc2F)CC1 ZINC000618007915 GD Annotated Reactive COc1ncccc1C(=O)N1CCC(C(=O)NCCSSCCN)CC1 ZINC000618008108 GD Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000618008206 GD Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(F)ccc1O ZINC000618008255 GD Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000618008263 GD Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000618008264 GD Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000618008506 GD Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C ZINC000618008532 GD Annotated Reactive Cc1ccc(S(=O)(=O)NCC(=O)NCCSSCCN(C)C)cc1 ZINC000618008636 GD Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000618008640 GD Annotated Reactive CN(C)CCSSCCNC(=O)[C@H](CO)N(C)C(=O)OC(C)(C)C ZINC000618008861 GD Annotated Reactive CN(C)CCSSCCNC(=O)CCNC(=O)c1ccc2nn[nH]c2c1 ZINC000618009172 GD Annotated Reactive C[C@@H](C(=O)NCCSSCCN(C)C)N1C(=O)c2ccccc2C1=O ZINC000618009208 GD Annotated Reactive CN(C)CCSSCCCNC(=O)[C@H](CO)N(C)C(=O)OC(C)(C)C ZINC000618009262 GD Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O ZINC000618009319 GD Annotated Reactive CN(C)CCSSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O ZINC000618009322 GD Annotated Reactive C[C@@H](O)[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618009385 GD Annotated Reactive CN(C)CCSSCCn1cc(CSc2nnc(N)s2)nn1 ZINC000618012266 GD Annotated Reactive O=C1N[C@H](Cn2ncc(Cl)c(Cl)c2=O)N[C@@H]2S[C@@H]3CCCC[C@@H]3[C@H]12 ZINC000618012366 GD Annotated Anodyne O=C1N[C@H](Cn2ncc(Cl)c(Cl)c2=O)N[C@@H]2S[C@@H]3CCCC[C@H]3[C@@H]12 ZINC000618012371 GD Annotated Anodyne O=C1N[C@H](Cn2ncc(Cl)c(Cl)c2=O)N[C@@H]2S[C@@H]3CCCC[C@@H]3[C@@H]12 ZINC000618012373 GD Annotated Anodyne O=C1N[C@H](Cn2ncc(Cl)c(Cl)c2=O)N[C@@H]2S[C@@H]3CCCC[C@H]3[C@H]12 ZINC000618012377 GD Annotated Anodyne CCN(CC)C(=O)CN(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H](c3ccccc3)S[C@@H]2N1 ZINC000618012537 GD Annotated Anodyne CCN(CC)C(=O)CN(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H](c3ccccc3)S[C@H]2N1 ZINC000618012540 GD Annotated Anodyne CCN(CC)C(=O)CN(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](c3ccccc3)S[C@H]2N1 ZINC000618012541 GD Annotated Anodyne CCN(CC)C(=O)CN(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](c3ccccc3)S[C@@H]2N1 ZINC000618012542 GD Annotated Anodyne CCN(CC(=O)N1CCCCCC1)C[C@@H]1NC(=O)[C@@H]2CC[C@H](Cl)C[C@H]2N1 ZINC000618012557 GD Annotated Reactive CCN(CC(=O)N1CCCCCC1)C[C@@H]1NC(=O)[C@@H]2CC[C@@H](Cl)C[C@@H]2N1 ZINC000618012630 GD Annotated Reactive CCN(CC(=O)N1CCCCCC1)C[C@@H]1NC(=O)[C@@H]2CC[C@@H](Cl)C[C@H]2N1 ZINC000618012631 GD Annotated Reactive CCN(CC(=O)N1CCCCCC1)C[C@@H]1NC(=O)[C@@H]2CC[C@H](Cl)C[C@@H]2N1 ZINC000618012632 GD Annotated Reactive Cc1ccccc1S(=O)(=O)NC(=O)CC[C@@H]1[C@H](C)NC(=O)[C@@H](C#N)[C@H]1C ZINC000618012767 GD Annotated Mild Cc1ccccc1S(=O)(=O)NC(=O)CC[C@@H]1[C@H](C)NC(=O)[C@H](C#N)[C@@H]1C ZINC000618012768 GD Annotated Mild Cc1ccccc1S(=O)(=O)NC(=O)CC[C@@H]1[C@H](C)NC(=O)[C@@H](C#N)[C@@H]1C ZINC000618012769 GD Annotated Mild Cc1ccccc1S(=O)(=O)NC(=O)CC[C@@H]1[C@H](C)NC(=O)[C@H](C#N)[C@H]1C ZINC000618012770 GD Annotated Mild CCN(CC(=O)NCCOc1ccccc1)C[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1 ZINC000618012982 GD Annotated Anodyne CCN(CC(=O)NCCOc1ccccc1)C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1 ZINC000618012985 GD Annotated Anodyne CCN(CC(=O)NCCOc1ccccc1)C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1 ZINC000618012986 GD Annotated Anodyne Cc1ccccc1CN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1n1nc(C)c(C)c1C ZINC000618013285 GD Annotated Anodyne Cc1ccccc1CN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@@H]1n1nc(C)c(C)c1C ZINC000618013288 GD Annotated Anodyne Cc1ccccc1CN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@@H]1n1nc(C)c(C)c1C ZINC000618013290 GD Annotated Anodyne Cc1ccccc1CN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1n1nc(C)c(C)c1C ZINC000618013291 GD Annotated Anodyne CN(CC(=O)Nc1cccc2ccccc12)C[C@@H]1NC(=O)[C@H]2SCC[C@H]2N1 ZINC000618013293 GD Annotated Anodyne CN(CC(=O)Nc1cccc2ccccc12)C[C@@H]1NC(=O)[C@@H]2SCC[C@@H]2N1 ZINC000618013296 GD Annotated Anodyne CN(CC(=O)Nc1cccc2ccccc12)C[C@@H]1NC(=O)[C@H]2SCC[C@@H]2N1 ZINC000618013297 GD Annotated Anodyne CN(CC(=O)Nc1cccc2ccccc12)C[C@@H]1NC(=O)[C@@H]2SCC[C@H]2N1 ZINC000618013298 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000618013457 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000618013458 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000618013459 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000618013460 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1cccc(N(C)C)c1 ZINC000618013468 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1cccc(N(C)C)c1 ZINC000618013475 GD Annotated Anodyne Cn1ccnc1-c1noc(NC(=O)CCC[C@@H]2NC(=O)[C@@H]3CCCC[C@@H]3N2)n1 ZINC000618013572 GD Annotated Anodyne Cn1ccnc1-c1noc(NC(=O)CCC[C@@H]2NC(=O)[C@H]3CCCC[C@@H]3N2)n1 ZINC000618013578 GD Annotated Anodyne Cn1ccnc1-c1noc(NC(=O)CCC[C@@H]2NC(=O)[C@@H]3CCCC[C@H]3N2)n1 ZINC000618013579 GD Annotated Anodyne Cn1ccnc1-c1noc(NC(=O)CCC[C@@H]2NC(=O)[C@H]3CCCC[C@H]3N2)n1 ZINC000618013580 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(CCC#N)Cc1ccco1 ZINC000618014040 GD Annotated Mild C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(CCC#N)Cc1ccco1 ZINC000618014041 GD Annotated Mild O=C(CCC[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1)NS(=O)(=O)c1ccccc1 ZINC000618014678 GD Annotated Anodyne O=C(CCC[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)NS(=O)(=O)c1ccccc1 ZINC000618014683 GD Annotated Anodyne O=C(CCC[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)NS(=O)(=O)c1ccccc1 ZINC000618014684 GD Annotated Anodyne O=C(CCC[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1)NS(=O)(=O)c1ccccc1 ZINC000618014685 GD Annotated Anodyne CCN1C(=O)C(=O)N[C@@H]2C[C@H](C(=O)NCc3nc4ccccc4s3)CC[C@@H]21 ZINC000618014902 GD Annotated Anodyne CCN1C(=O)C(=O)N[C@@H]2C[C@@H](C(=O)NCc3nc4ccccc4s3)CC[C@H]21 ZINC000618014911 GD Annotated Anodyne CCN1C(=O)C(=O)N[C@@H]2C[C@H](C(=O)NCc3nc4ccccc4s3)CC[C@H]21 ZINC000618014912 GD Annotated Anodyne CCN1C(=O)C(=O)N[C@@H]2C[C@@H](C(=O)NCc3nc4ccccc4s3)CC[C@@H]21 ZINC000618014913 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N[C@H]1CCc2ccccc2C1 ZINC000618014978 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000618014979 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000618014980 GD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@H]1CCc2ccccc2C1 ZINC000618014981 GD Annotated Anodyne CCN(CC)Cc1nc(C2(NC(=O)[C@H]3CC(=O)N[C@@H](Cl)C3)CCCC2)no1 ZINC000618015030 GD Annotated Reactive CCN(CC)Cc1nc(C2(NC(=O)[C@H]3CC(=O)N[C@H](Cl)C3)CCCC2)no1 ZINC000618015034 GD Annotated Reactive CCN(CC)Cc1nc(C2(NC(=O)[C@@H]3CC(=O)N[C@@H](Cl)C3)CCCC2)no1 ZINC000618015035 GD Annotated Reactive CCN(CC)Cc1nc(C2(NC(=O)[C@@H]3CC(=O)N[C@H](Cl)C3)CCCC2)no1 ZINC000618015036 GD Annotated Reactive Cc1cc(C)n([C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2CCCc2ccccc2)n1 ZINC000618015129 GD Annotated Anodyne Cc1cc(C)n([C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2CCCc2ccccc2)n1 ZINC000618015131 GD Annotated Anodyne Cc1cc(C)n([C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2CCCc2ccccc2)n1 ZINC000618015132 GD Annotated Anodyne Cc1cc(C)n([C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2CCCc2ccccc2)n1 ZINC000618015133 GD Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@H]2[C@H]1N[C@H](C1CC1)C[C@H]2C(=O)NCc1ccccn1 ZINC000618015426 GD Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@@H]2[C@H](C(=O)NCc3ccccn3)C[C@@H](C3CC3)N[C@@H]21 ZINC000618015427 GD Annotated Anodyne CCCCN1C(=O)NN[C@@H]1SCCN1C(=O)c2ccccc2S1(=O)=O ZINC000618015593 GD Annotated Anodyne CCCCN1C(=O)NN[C@H]1SCCN1C(=O)c2ccccc2S1(=O)=O ZINC000618015594 GD Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CC(=O)NC[C@H](O)c3ccccc3F)NC(=O)[C@@H]2[C@@H]1C ZINC000618015722 GD Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CC(=O)NC[C@H](O)c3ccccc3F)NC(=O)[C@H]2[C@@H]1C ZINC000618015724 GD Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CC(=O)NC[C@H](O)c3ccccc3F)NC(=O)[C@H]2[C@H]1C ZINC000618015725 GD Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CC(=O)NC[C@H](O)c3ccccc3F)NC(=O)[C@@H]2[C@H]1C ZINC000618015726 GD Annotated Anodyne Cc1ccc([C@@H]2CS[C@@H]3N[C@@H](CN4C(=O)NC(=O)C4(C)C)NC(=O)[C@@H]32)s1 ZINC000618015736 GD Annotated Anodyne Cc1ccc([C@@H]2CS[C@@H]3N[C@H](CN4C(=O)NC(=O)C4(C)C)NC(=O)[C@H]32)s1 ZINC000618015738 GD Annotated Anodyne Cc1ccc([C@@H]2CS[C@@H]3N[C@H](CN4C(=O)NC(=O)C4(C)C)NC(=O)[C@@H]32)s1 ZINC000618015740 GD Annotated Anodyne Cc1ccc([C@@H]2CS[C@@H]3N[C@@H](CN4C(=O)NC(=O)C4(C)C)NC(=O)[C@H]32)s1 ZINC000618015741 GD Annotated Anodyne C[C@H](SC[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@@H](C)[C@@H]2C)C(=O)NC1(C#N)CCC1 ZINC000618015836 GD Annotated Mild C[C@H](SC[C@@H]1NC(=O)[C@H]2[C@H](C)[C@@H](C)S[C@H]2N1)C(=O)NC1(C#N)CCC1 ZINC000618015840 GD Annotated Mild C[C@H](SC[C@@H]1NC(=O)[C@H]2[C@H](C)[C@H](C)S[C@H]2N1)C(=O)NC1(C#N)CCC1 ZINC000618015842 GD Annotated Mild C[C@H](SC[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@H](C)[C@@H]2C)C(=O)NC1(C#N)CCC1 ZINC000618015845 GD Annotated Mild CC1CCN([C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2ccc(F)cc2)CC1 ZINC000618016334 GD Annotated Anodyne CC1CCN([C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2ccc(F)cc2)CC1 ZINC000618016335 GD Annotated Anodyne CC1CCN([C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2ccc(F)cc2)CC1 ZINC000618016336 GD Annotated Anodyne CC1CCN([C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2ccc(F)cc2)CC1 ZINC000618016337 GD Annotated Anodyne C[C@@H]1CCCCN1[C@@H]1N[C@@H]2[C@H](C(=O)NC(=O)N2C)N1Cc1ccccc1Cl ZINC000618016344 GD Annotated Anodyne C[C@@H]1CCCCN1[C@@H]1N[C@@H]2[C@@H](C(=O)NC(=O)N2C)N1Cc1ccccc1Cl ZINC000618016345 GD Annotated Anodyne C[C@@H]1CCCCN1[C@@H]1N[C@H]2[C@@H](C(=O)NC(=O)N2C)N1Cc1ccccc1Cl ZINC000618016346 GD Annotated Anodyne C[C@@H]1CCCCN1[C@@H]1N[C@H]2[C@H](C(=O)NC(=O)N2C)N1Cc1ccccc1Cl ZINC000618016347 GD Annotated Anodyne CC1CCN([C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2ccccc2F)CC1 ZINC000618016407 GD Annotated Anodyne CC1CCN([C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2ccccc2F)CC1 ZINC000618016408 GD Annotated Anodyne CC1CCN([C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2ccccc2F)CC1 ZINC000618016409 GD Annotated Anodyne CC1CCN([C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2ccccc2F)CC1 ZINC000618016410 GD Annotated Anodyne CC(C)CNC(=O)[C@@H]1CC[C@@H]2C(=O)N(CC(C)C)[C@@H]3NNC(=S)N3[C@H]2C1 ZINC000618016419 GD Annotated Anodyne CC(C)CNC(=O)[C@@H]1CC[C@@H]2C(=O)N(CC(C)C)[C@@H]3NNC(=S)N3[C@@H]2C1 ZINC000618016420 GD Annotated Anodyne CC(C)CNC(=O)[C@@H]1CC[C@@H]2C(=O)N(CC(C)C)[C@H]3NNC(=S)N3[C@@H]2C1 ZINC000618016421 GD Annotated Anodyne CC(C)CNC(=O)[C@@H]1CC[C@@H]2C(=O)N(CC(C)C)[C@H]3NNC(=S)N3[C@H]2C1 ZINC000618016422 GD Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N2[C@H]1NN[C@@H]2c1c(F)cccc1Cl ZINC000618016431 GD Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N2[C@@H](c3c(F)cccc3Cl)NN[C@H]12 ZINC000618016433 GD Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N2[C@H](c3c(F)cccc3Cl)NN[C@H]12 ZINC000618016434 GD Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N2[C@H](c3c(F)cccc3Cl)NN[C@@H]12 ZINC000618016435 GD Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)N1CCN(c3cccc(C)c3C)CC1)=NC(=O)N=2 ZINC000618016446 GD Annotated Anodyne CCOc1ccc(CNS(=O)(=O)c2cc3c(cc2C)=NC(=O)N=3)cc1OC ZINC000618016474 GD Annotated Anodyne C[C@H](N[C@@H]1N[C@H]2[C@@H](C(=O)NC(=O)N2C)N1Cc1ccccc1)c1ccccc1 ZINC000618016586 GD Annotated Anodyne C[C@H](N[C@@H]1N[C@H]2[C@H](C(=O)NC(=O)N2C)N1Cc1ccccc1)c1ccccc1 ZINC000618016588 GD Annotated Anodyne C[C@H](N[C@@H]1N[C@@H]2[C@@H](C(=O)NC(=O)N2C)N1Cc1ccccc1)c1ccccc1 ZINC000618016590 GD Annotated Anodyne C[C@H](N[C@@H]1N[C@@H]2[C@H](C(=O)NC(=O)N2C)N1Cc1ccccc1)c1ccccc1 ZINC000618016591 GD Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](NC1CCCCC1)N2Cc1ccc(F)cc1 ZINC000618016619 GD Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](NC1CCCCC1)N2Cc1ccc(F)cc1 ZINC000618016621 GD Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](NC1CCCCC1)N2Cc1ccc(F)cc1 ZINC000618016622 GD Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](NC1CCCCC1)N2Cc1ccc(F)cc1 ZINC000618016623 GD Annotated Anodyne CC(C)CCN1[C@H](Sc2nc3ccccc3[nH]2)N[C@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618016660 GD Annotated Anodyne CC(C)CCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1Sc1nc2ccccc2[nH]1 ZINC000618016661 GD Annotated Anodyne CC(C)CCN1[C@H](Sc2nc3ccccc3[nH]2)N[C@@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618016662 GD Annotated Anodyne CC(C)CCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1Sc1nc2ccccc2[nH]1 ZINC000618016663 GD Annotated Anodyne Cc1cc(C)n([C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2ccc(Cl)cc2)n1 ZINC000618016668 GD Annotated Anodyne Cc1cc(C)n([C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2ccc(Cl)cc2)n1 ZINC000618016669 GD Annotated Anodyne Cc1cc(C)n([C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2ccc(Cl)cc2)n1 ZINC000618016670 GD Annotated Anodyne Cc1cc(C)n([C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2ccc(Cl)cc2)n1 ZINC000618016671 GD Annotated Anodyne NC(=O)c1cnn2c([C@H]3CCCN(Cc4cccc(C(=O)O)c4)C3)ccnc12 ZINC000618016882 GD Annotated Anodyne NC(=O)c1cnn2c([C@@H]3CCCN(Cc4cccc(C(=O)O)c4)C3)ccnc12 ZINC000618016884 GD Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc(-c3cc(F)ccc3F)no2)CC1 ZINC000618017384 GD Annotated Anodyne C=CS(=O)(=O)N1CCN(CC(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000618017526 GD Annotated Anodyne C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccn(C)n1 ZINC000618017668 GD Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc2c(c1)NS(=O)(=O)N2C ZINC000618018228 GD Annotated Reactive C=CS(=O)(=O)N1CCN([C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000618020214 GD Annotated Anodyne C=CS(=O)(=O)N1CCN([C@H](CO)c2ccc(Br)cc2)CC1 ZINC000618020215 GD Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)[C@@H](C(N)=O)C1 ZINC000618020242 GD Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(F)c2)[C@@H](CO)C1 ZINC000618020250 GD Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(I)cc2)CC1 ZINC000618020252 GD Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)[C@@H](CO)C1 ZINC000618020280 GD Annotated Anodyne CSCCCCCCC/C(=N\O)S[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000062235793 GD Annotated Mild in-vitro CSCCCCCCC/C(=N\O)S[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000062235800 GD Annotated Mild in-vitro Cc1ccc(C(=O)N2CCN(c3cncc4sc(C(N)=O)c(N)c34)CC2)cn1 ZINC000621429258 GD Annotated Anodyne CCC[C@H](O)C[C@H](CC)SC[C@H](C(=O)O)N1CO[C@](O)(C(C)C)C1=O ZINC000621430877 GD Annotated Anodyne CCC[C@H](O)C[C@H](CC)SC[C@@H](C(=O)O)N1CO[C@@](O)(C(C)C)C1=O ZINC000621430878 GD Annotated Anodyne CCC[C@H](O)C[C@H](CC)SC[C@H](C(=O)O)N1CO[C@@](O)(C(C)C)C1=O ZINC000621430879 GD Annotated Anodyne Nc1nonc1N=Nc1nonc1N=Nc1nonc1N=Nc1nonc1N ZINC000621431315 GD Annotated Clean CC[S@](=O)C(=O)N(C)CCCNC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C ZINC000621431340 GD Annotated Anodyne CC[S@@](=O)C(=O)N(C)CCCNC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C ZINC000621431341 GD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)C(=O)O)c(=O)n(C)c3nc12 ZINC000621431486 GD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)C(=O)O)c(=O)n(C)c3nc12 ZINC000621431487 GD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)C(N)=O)c(=O)n(C)c3nc12 ZINC000621431718 GD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)C(N)=O)c(=O)n(C)c3nc12 ZINC000621431719 GD Annotated Anodyne O=C(Nc1nc(C(=O)Nc2nn[nH]n2)c(-c2ccccc2)s1)c1ncco1 ZINC000621477315 GD Annotated Anodyne NC(=O)CNC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621477321 GD Annotated Reactive O=C(Nc1nc(C(=O)Nc2nn[nH]n2)c(-c2ccccc2)s1)c1ncc[nH]1 ZINC000621477452 GD Annotated Anodyne NC(=O)CNC(=O)C[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621477641 GD Annotated Reactive C=CS(=O)(=O)N1CCN(c2ccc(I)cc2)CC1 ZINC000621478153 GD Annotated Anodyne C=CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccnc(C#N)n3)o2)C1 ZINC000621485680 GD Annotated Mild C=CS(=O)(=O)N(C)CCN(C)C(=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000621485930 GD Annotated Anodyne C=CS(=O)(=O)N(C)CCN(C)C(=O)c1ccc(-c2ccnc(C#N)n2)o1 ZINC000621485937 GD Annotated Mild C=CS(=O)(=O)N(C)CCN(C)C(=O)c1ccc(-c2ccnc(Cl)n2)o1 ZINC000621485950 GD Annotated Anodyne C=CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc3cc(OC)c(OC)cc3[nH]2)C1 ZINC000621485977 GD Annotated Anodyne Nc1nc(N)c2ncn(C[C@H]3CO[P@](=O)(OCC(F)(F)F)CO3)c2n1 ZINC000064235691 GD Annotated Anodyne Nc1nc(N)c2ncn(C[C@H]3CO[P@@](=O)(OCC(F)(F)F)CO3)c2n1 ZINC000064235693 GD Annotated Anodyne CCn1cc(C(=O)N/N=C2\C(=O)N(O)c3ccccc32)c(=O)c2ccc(C)nc21 ZINC000064261557 GD Annotated Reactive Cc1nc2c(c3c1C(=O)C(N(C)c1ccccc1)=CC3=O)c(=O)n(C)c(=O)n2C ZINC000064436979 GD Annotated Mild CCn1cc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(=O)c2ccc(C)nc21 ZINC000064437772 GD Annotated Reactive [O-][n+]1nc2c(I)cnn2c2cc(OC(F)F)ccc21 ZINC000064447430 GD Annotated Anodyne CCN(C1=CC(=O)c2c(cnc3c2c(=O)n(C)c(=O)n3C)C1=O)c1ccccc1 ZINC000064447826 GD Annotated Mild Nn1c(CN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2 ZINC000064448033 GD Annotated Anodyne [O-]/[N+](=C\[C@@H](O)[C@H](O)CO)CCCc1ccc(N(CCCl)CCCl)cc1 ZINC000064448719 GD Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(=N)N)cc3)c(F)c2)C(=O)O1 ZINC000064453693 GD Annotated Anodyne O=P(NN1CCOCC1)(NN1CCOCC1)Oc1ccccc1Cl ZINC000064453783 GD Annotated Anodyne CN(C1=CC(=O)c2c(cnc3c2c(=O)n(C)c(=O)n3C)C1=O)c1ccccc1 ZINC000064454401 GD Annotated Mild Nc1ccc(S(=O)(=O)NCc2cn(Cc3ccc(F)cc3F)nn2)cc1 ZINC000064459388 GD Annotated Anodyne CCOC(=O)CNC(=O)NN1CN(Cc2ccccc2)[C@H](CC(C)C)C1=O ZINC000064470294 GD Annotated Anodyne CCOC(=O)CNC(=O)NN1CN(Cc2ccccc2)[C@@H](CC(C)C)C1=O ZINC000064470296 GD Annotated Anodyne O=S(=O)(Cc1nnc(CS(=O)(=O)c2ccccc2)o1)Nc1ccccc1 ZINC000064499520 GD Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CN4CCN(C(C)=O)CC4)nn3)c2c1 ZINC000064503798 GD Annotated Anodyne Cc1noc(C)c1-c1cncc(CC(F)(P(=O)(O)O)P(=O)(O)O)c1 ZINC000064514024 GD Annotated Anodyne COc1ccc2c(ccn2N2C[C@@H]3CN(c4ncc(C(=O)NO)cn4)C[C@@H]3C2)c1 ZINC000064527672 GD Annotated Anodyne COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(N)=O)cnc21 ZINC000064527684 GD Annotated Mild CCC(CC)O[C@@H]1C[C@H](C(=O)O)C=C(n2cc(C(C)(C)O)nn2)[C@H]1NC(C)=O ZINC000064527741 GD Annotated Anodyne CCC(CC)O[C@@H]1C[C@@H](C(=O)O)C=C(n2cc(C(C)(C)O)nn2)[C@H]1NC(C)=O ZINC000064527742 GD Annotated Anodyne Cc1nc[nH]c1C(=O)N/N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccc(F)cc1 ZINC000064532131 GD Annotated Reactive Cc1nc[nH]c1C(=O)N/N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccc(F)cc1 ZINC000064532133 GD Annotated Reactive O=C1CC[C@H](C(=O)O)NC(=O)[C@@H]([C@@H](Nc2ccccc2)c2ccccc2)CN1 ZINC000064539856 GD Annotated Anodyne N=C(N)N/N=C/c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000064550065 GD Annotated Mild Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=N)N)c3cc(C#N)ccc32)cc1 ZINC000064560192 GD Annotated Mild O=C(O)CCC(=O)NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O ZINC000064564811 GD Annotated Anodyne O=C(O)CCC(=O)NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O ZINC000064564814 GD Annotated Anodyne C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]([C@@H](Nc2ccccc2)c2ccccc2)CNC1=O ZINC000064573516 GD Annotated Anodyne OC[C@H]1O[C@@H](Sc2nc(S)c3c4c(sc3n2)CCCC4)[C@@H](O)[C@@H]1O ZINC000064573993 GD Annotated Anodyne CCN[C@H]1CN(c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)n2)CCO1 ZINC000064623498 GD Annotated Anodyne Nc1ccc2cc3ccc(N)cc3[n+](CCCC(=O)ON3C(=O)CCC3=O)c2c1 ZINC000064624999 GD Annotated Mild in-vitro O=C1CCCC2=C1[C@]1(CCS(=O)(=O)C1)N=C(Nc1nc3ccccc3o1)N2 ZINC000064693666 GD Annotated Mild O=C1CCCC2=C1[C@@]1(CCS(=O)(=O)C1)N=C(Nc1nc3ccccc3o1)N2 ZINC000064693667 GD Annotated Mild C[C@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)N=O ZINC000064746693 GD Annotated Mild C[C@@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)N=O ZINC000064746717 GD Annotated Mild C[C@@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2cccc(N)c2)cc1)C(=O)N=O ZINC000064746719 GD Annotated Mild Cc1c(Sc2ccccc2)n(COCCNC(=O)CCCl)c(=O)[nH]c1=O ZINC000006520190 GD Annotated Reactive Cc1c(N2C[C@H]3NCCO[C@@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520983 GD Annotated Anodyne Cc1c(N2C[C@@H]3OCCN[C@@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520984 GD Annotated Anodyne CO[C@@H]1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C[C@H]1N ZINC000006521000 GD Annotated Anodyne Cc1ccc([C@@H](C2C(=O)N(C)C(=O)N(C)C2=O)C(F)(F)C(=O)N(C)C)cc1 ZINC000006522676 GD Annotated Anodyne O=C(CF)NC[C@H]1CN(c2ccc(C3CCS(=O)CC3)c(F)c2)C(=O)O1 ZINC000006525213 GD Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCN1CCCc2ccccc21 ZINC000006576665 GD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(F)c(C)c2)[C@@H]3C1=O ZINC000006576678 GD Annotated Anodyne Nc1cc2c(=O)c(C(=O)O)cn(N3CCN(c4ccccn4)CC3)c2cc1Cl ZINC000006584680 GD Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)[C@@H]1C ZINC000006637242 GD Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)[C@@H]1C ZINC000006637245 GD Annotated Anodyne Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000006729489 GD Annotated Anodyne Cc1cccc(C)c1NC(=O)Cn1nnc(S(=O)(=O)c2ccccc2)c1N ZINC000006736923 GD Annotated Anodyne Cc1ccc(S(=O)(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1C ZINC000006736924 GD Annotated Anodyne Cc1ccc2c(c1)cc1c(=O)n(CC(=O)N3CCC4(CC3)OCCO4)nc(C)n12 ZINC000006749664 GD Annotated Anodyne O=C(C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1)N1CCCCC1 ZINC000006752476 GD Annotated Anodyne CCOC(=O)C1CCN(C(=O)Cn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000006797095 GD Annotated Anodyne CN1C(=O)CC(=O)N(C)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21 ZINC000006800488 GD Annotated Anodyne COC(=O)c1ccccc1S(=O)(=O)NCc1nc2nc(C)cc(C)n2n1 ZINC000006808179 GD Annotated Anodyne CCc1nn2c(=O)c(S(=O)(=O)NCCc3ccccc3)c(C)nc2s1 ZINC000006823061 GD Annotated Anodyne CCc1nn2c(=O)c(S(=O)(=O)NCc3ccc(F)cc3)c(C)nc2s1 ZINC000006823062 GD Annotated Anodyne CCc1nn2c(=O)c(S(=O)(=O)NCCc3ccc(C)cc3)c(C)nc2s1 ZINC000006823069 GD Annotated Anodyne COc1ccccc1NCC(=O)N/N=C1\CCS(=O)(=O)c2ccc(F)cc21 ZINC000006831494 GD Annotated Reactive CC(C)CN(C(=O)COc1ccc(-c2nnco2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000006850915 GD Annotated Anodyne CC(C)CN(C(=O)COc1ccc(-c2nnco2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000006850918 GD Annotated Anodyne Cc1ccc(C)c(N2CCN(S(=O)(=O)c3csc(C(N)=O)c3)CC2)c1 ZINC000006859497 GD Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)CCC(=O)N1CCC[C@H](C)C1)OCC(=O)N2 ZINC000006893224 GD Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)CCC(=O)N1CCC[C@@H](C)C1)OCC(=O)N2 ZINC000006893225 GD Annotated Anodyne CC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000006893315 GD Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000006893316 GD Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000006893317 GD Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000006893318 GD Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000006893319 GD Annotated Anodyne O=C1COc2cc(S(=O)(=O)CCC(=O)N3CCCCC3)c(Cl)cc2N1 ZINC000006893385 GD Annotated Anodyne COCCNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2 ZINC000006893732 GD Annotated Anodyne C[C@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006899105 GD Annotated Anodyne CCCn1c2ccccc2c2cnn(CC(=O)NC3=NC(=O)CS3)c(=O)c21 ZINC000006900117 GD Annotated Anodyne C[C@@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006900241 GD Annotated Anodyne O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NC[C@@H]1CCCO1 ZINC000006901371 GD Annotated Anodyne O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NC[C@H]1CCCO1 ZINC000006901373 GD Annotated Anodyne NC(=O)c1cc(S(=O)(=O)N(CCc2ccncc2)C[C@@H]2CCCO2)cs1 ZINC000006902245 GD Annotated Anodyne NC(=O)c1cc(S(=O)(=O)N(CCc2ccncc2)C[C@H]2CCCO2)cs1 ZINC000006902246 GD Annotated Anodyne Cc1cc2c(cc1NS(=O)(=O)c1cccc(C#N)c1)n(C)c(=O)c(=O)n2C ZINC000006913864 GD Annotated Mild CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NCCN(C)C)c2)on1 ZINC000006914311 GD Annotated Anodyne Cc1nn(-c2ccccc2)c2c1N(CC(=O)NC[C@@H]1CCCO1)C(=O)CS2 ZINC000006917363 GD Annotated Anodyne Cc1nn(-c2ccccc2)c2c1N(CC(=O)NC[C@H]1CCCO1)C(=O)CS2 ZINC000006917366 GD Annotated Anodyne CN(C)CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000006936582 GD Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000006938492 GD Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)N(C)Cc1ccccc1)n(C)c(=O)c(=O)n2C ZINC000006938753 GD Annotated Anodyne Cc1cccc(NC(=O)Cn2nnc(-c3nc(-c4ccncc4)no3)c2N)c1 ZINC000006939233 GD Annotated Anodyne CCC(=O)N1[C@H](C(=O)NCCCN(CC)CC)CSC12CCN(C)CC2 ZINC000006943442 GD Annotated Anodyne CCC(=O)N1[C@@H](C(=O)NCCCN(CC)CC)CSC12CCN(C)CC2 ZINC000006943450 GD Annotated Anodyne CCC(=O)N1[C@H](C(=O)NCCCN2CCCCC2)CSC12CCN(C)CC2 ZINC000006943598 GD Annotated Anodyne CCC(=O)N1[C@@H](C(=O)NCCCN2CCCCC2)CSC12CCN(C)CC2 ZINC000006943604 GD Annotated Anodyne Cc1cccc(NC(=O)CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1C ZINC000006946577 GD Annotated Anodyne CC(C)NS(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000006949824 GD Annotated Anodyne Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)cc1F ZINC000006999642 GD Annotated Anodyne CC(C)[C@H](N)CC(=O)Nc1nc(-c2cnc(N3CCOCC3)nc2)cs1 ZINC000653113466 GD Annotated Anodyne CS(=O)(=O)NC[C@H]1CCc2ccccc2N1C(=O)c1ccc(O)cc1O ZINC000653624595 GD Annotated Anodyne CS(=O)(=O)NC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(O)cc1O ZINC000653624596 GD Annotated Anodyne CN(CC(=O)O)C(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O ZINC000653634448 GD Annotated Anodyne CC(=O)Nc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1-c1ccccn1 ZINC000653663545 GD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)c2c1OCC2 ZINC000653672886 GD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CCC3)n2)cc1OC(F)F ZINC000653673693 GD Annotated Anodyne COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1 ZINC000653678241 GD Annotated Anodyne COC1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)C1 ZINC000653686482 GD Annotated Anodyne CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(F)s3)CC2)C1 ZINC000653687611 GD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N2CC(C)(C)CNC2=C1[N+](=O)[O-] ZINC000653689388 GD Annotated Reactive Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N2CC(C)(C)CNC2=C1[N+](=O)[O-] ZINC000653689389 GD Annotated Reactive CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/CO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO ZINC000653691088 GD Annotated Anodyne COc1ccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(S)nc2c1OC ZINC000653691232 GD Annotated Anodyne COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1N1CCOCC1 ZINC000653693464 GD Annotated Bother CC(=O)N1CCN(c2cc(-c3nccs3)nc(NCCC(=O)O)n2)CC1 ZINC000653694193 GD Annotated Anodyne O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2nccn2)n1 ZINC000653694225 GD Annotated Anodyne O=c1nc(O)c(C#Cc2ccc(Br)cc2)cn1CCC(CO)CO ZINC000653695800 GD Annotated Mild OC[C@H]1O[C@@]2(CC(c3cc4ccccc4c4ccccc34)=NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000653698592 GD Annotated Bother CC1(C)CNC2=C([N+](=O)[O-])[C@]3(C(=O)Nc4ccc(F)cc43)C(C#N)=C(N)N2C1 ZINC000653703951 GD Annotated Reactive CC1(C)CNC2=C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccc(F)cc43)C(C#N)=C(N)N2C1 ZINC000653703952 GD Annotated Reactive O=C(O)CCNc1nc(N2CCN(c3ccccn3)CC2)cc(-n2cccn2)n1 ZINC000653709688 GD Annotated Anodyne O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2ccnn2)n1 ZINC000653709713 GD Annotated Anodyne CC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(N3CCOCC3)cc2n1O ZINC000653717473 GD Annotated Anodyne C=C1[C@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC)O[C@@H](O)[C@]234)[C@@H]1O ZINC000653721984 GD Annotated Mild C=C1[C@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC)O[C@H](O)[C@@]234)[C@@H]1O ZINC000653721985 GD Annotated Mild C=C1[C@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC)O[C@H](O)[C@]234)[C@@H]1O ZINC000653721986 GD Annotated Mild C=C1[C@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC)O[C@@H](O)[C@@]234)[C@@H]1O ZINC000653721987 GD Annotated Mild [O-][N+]1=C(Nc2ccc(CCc3ccc(NC4=[N+]([O-])CCN4)cc3)cc2)NCC1 ZINC000653722043 GD Annotated Anodyne O=C(O)CCN1C(=O)/C(=C/c2cc3ccccc3n3nnnc23)SC1=S ZINC000653725338 GD Annotated Clean NCCC(=O)Nc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1 ZINC000653725553 GD Annotated Anodyne CC(=O)O[C@@H](C[C@H](O)/C=C/c1ccccc1)C[C@@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O ZINC000653726567 GD Annotated Anodyne CN(C)c1ccc(/C=N/NC(=N)N/N=C/c2ccc(N(C)C)cc2O)c(O)c1 ZINC000653731295 GD Annotated Mild CC(=O)O[C@H](C[C@@H](O)C[C@H](O)/C=C/c1ccccc1)C[C@@H]1OC(=O)C=C[C@@H]1O ZINC000653739169 GD Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(C(N)=O)cc2)C3=O)n1 ZINC000653749353 GD Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(CO)cc2)C3=O)n1 ZINC000653749383 GD Annotated Anodyne C[C@H]1CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1(F)F ZINC000653750435 GD Annotated Anodyne C[C@@H]1CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1(F)F ZINC000653750436 GD Annotated Anodyne O=c1c2ccccc2nc(CO[N+](=O)[O-])n1NS(=O)(=O)c1ccccc1 ZINC000653751794 GD Annotated Anodyne CS(=O)(=O)c1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000653760619 GD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)(F)C3)n2)cn1 ZINC000653761929 GD Annotated Anodyne Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(N3CC4CC3C4)n2)cn1 ZINC000653764975 GD Annotated Anodyne C[C@H](O)C#Cc1csc2c(=N[C@@H]3CCNC3)nc(-c3ccncc3F)[nH]c12 ZINC000653765542 GD Annotated Mild CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1 ZINC000653768970 GD Annotated Anodyne COc1ccc(CCn2cc(C(=O)NCCCCN)nn2)cc1Br ZINC000653780376 GD Annotated Anodyne O=C1c2cc3c(cc2-c2c1c1ccc(F)cc1c(=O)n2C[C@H](O)CO)OCO3 ZINC000653782501 GD Annotated Clean CO[C@@]12OC[C@@H](O)[C@]1(C)CC[C@@H]1C2=C[C@H]2OC(=O)[C@]3(C)[C@H]2[C@]12CC[C@@]3(O)OC2 ZINC000653782581 GD Annotated Anodyne C[C@@H]1CN2C[C@H]3CC[C@H](O)[C@@H]4C(CCO)=C(C(=O)O)C[C@@]45C(=O)[C@H]1C[C@@H]2[C@@]35C ZINC000653786043 GD Annotated Anodyne O=C1c2cc3c(cc2-c2c1c1ccc(Cl)cc1c(=O)n2C[C@H](O)CO)OCO3 ZINC000653786684 GD Annotated Clean COc1ccc(CCn2cc(C(=O)NCCCN)nn2)cc1Br ZINC000653788022 GD Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000653791851 GD Annotated Bother O=C1CSCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cn1 ZINC000653791948 GD Annotated Bother O=C1CSCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 ZINC000653793629 GD Annotated Bother O=C1COCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1F ZINC000653793666 GD Annotated Bother O=C1c2ccccc2C(=O)N1CN1C(=O)CS/C1=N\N=C\c1cccnc1 ZINC000653794379 GD Annotated Mild C/C(=N\N=C1/SCC(=O)N1CN1C(=O)c2ccccc2C1=O)c1ccccn1 ZINC000653794415 GD Annotated Mild O=S(=O)(c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1)N1CCC(O)CC1 ZINC000653796567 GD Annotated Mild COC1=CC[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C=O)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000653797788 GD Annotated Reactive O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cnc(C(=O)NO)c(O)c1CO ZINC000653803253 GD Annotated Anodyne Cc1ccc2cccc(OS(=O)(=O)CCNC(=O)[C@@H](N)CC(C)C)c2n1 ZINC000653803332 GD Annotated Anodyne CC(C)C(=O)N(O)C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000653807475 GD Annotated Anodyne COC1=CC[C@@H]2C[C@H]3OC(=O)C=C4C(CO)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000653807600 GD Annotated Mild CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O ZINC000653810945 GD Annotated Anodyne CC(=O)N(O)C[C@H]1CN(c2ccc(N3CCN(C(C)=O)CC3)c(F)c2)C(=O)O1 ZINC000653811108 GD Annotated Anodyne O=C(C1CC1)N(O)C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000653811127 GD Annotated Anodyne COc1cc(C)c(S(=O)(=O)NC(C)=O)cc1-c1ccc(C#CCO)s1 ZINC000653812689 GD Annotated Mild NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(F)ccc3c2=O)cc1 ZINC000653819690 GD Annotated Anodyne CNC(=O)c1ccc2c(N)ncc(-c3ccc4c(c3)CS(=O)(=O)N4C)c2n1 ZINC000653822656 GD Annotated Anodyne Cc1c(C(=O)CSCCNC(=O)[C@@H](N)C(C)C)[n+](=O)c2ccccc2n1O ZINC000653838501 GD Annotated Anodyne CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3c(o2)=C=C=CC=3)c(O)c1 ZINC000653838509 GD Annotated Reactive Cc1c(C(=O)CSCCNC(=O)c2ccncc2)[n+](=O)c2ccccc2n1O ZINC000653838533 GD Annotated Anodyne Cc1ccc2c(c1)S(=O)(=O)N(Cc1cc(O)ccc1F)CN2CC(=O)O ZINC000653850810 GD Annotated Anodyne COc1ccc(CN2CN(CC(=O)O)c3ccc(OC)cc3S2(=O)=O)cc1 ZINC000653851660 GD Annotated Clean COC(=O)[C@H](CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@@H]1[C@@]23O)NC(=O)C(C)C ZINC000653861101 GD Annotated Anodyne COC(=O)[C@H](CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@H]1[C@@]23O)NC(=O)C(C)C ZINC000653861103 GD Annotated Anodyne COc1ccc(-n2nnc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653861788 GD Annotated Anodyne COc1cccc(C(=O)OC[C@@H](OC(C)=O)[C@H]2OC(=O)C=C[C@H]2OC(C)=O)c1 ZINC000653861897 GD Annotated Anodyne CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1 ZINC000653864166 GD Annotated Anodyne CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1 ZINC000653864167 GD Annotated Anodyne COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](Cn2ccnc2)C1 ZINC000653864188 GD Annotated Bother COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000653864189 GD Annotated Bother CN(C)CCNc1cc2c(cn1)cc(NC(=O)c1ccc(N)cc1)c(=O)n2C ZINC000653867743 GD Annotated Anodyne CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1cc[nH]n1 ZINC000653869216 GD Annotated Anodyne C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)COCC)C2 ZINC000653882388 GD Annotated Mild CC(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](COC(=O)/C=C/c1ccccc1)OC(C)=O ZINC000653893455 GD Annotated Anodyne COc1ccc(-n2cnc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653901827 GD Annotated Anodyne Cc1cccc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c3nnnn3c12 ZINC000653917162 GD Annotated Clean Cc1ccc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c3nnnn3c2c1 ZINC000653917176 GD Annotated Clean CCOc1cc([C@H]2SCC(=O)N2NC(=O)c2nccnc2N)ccc1O ZINC000653918436 GD Annotated Anodyne Cc1ccc2c(c1)cc(/C=C1\SC(=S)N(CC(=O)O)C1=O)c1nnnn12 ZINC000653918486 GD Annotated Clean O=C(O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccccc1 ZINC000066065996 GD Annotated Anodyne O=C(O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccccc1 ZINC000066065997 GD Annotated Anodyne Cc1ccc(S(=O)(=O)NNC(=O)c2nnn(Nc3ccccc3)c2C)cc1 ZINC000066076384 GD Annotated Reactive CS(=O)(=O)c1ccc(S(=O)(=O)n2cc(CC(=O)O)c3ccsc32)cc1 ZINC000066078269 GD Annotated Anodyne CS(=O)(=O)c1ccc(S(=O)(=O)n2cc(CC(=O)O)c3sccc32)cc1 ZINC000066078956 GD Annotated Anodyne C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3 ZINC000066098366 GD Annotated Mild in-vitro biogenic O=C1Cc2cc(OC3CN(c4c5c(nc6ccnn46)CCNCC5)C3)ccc2N1 ZINC000066099592 GD Annotated Anodyne COP(=O)(C/C=C\Cn1ccc(=O)n(C(=O)c2ccccc2)c1=O)OC ZINC000066102582 GD Annotated Anodyne CS(=O)(=O)N1CCC(n2cc(-c3nnc(-c4cccc(O)c4)o3)nn2)CC1 ZINC000066103064 GD Annotated Anodyne COP(=O)(C/C=C/Cn1ccc(=O)n(C(=O)c2ccccc2)c1=O)OC ZINC000066111777 GD Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c(C[C@@H]4CCNC4)nc23)cn1 ZINC000066111829 GD Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c(C[C@H]4CCNC4)nc23)cn1 ZINC000066111830 GD Annotated Anodyne N#Cc1ccsc1Cn1c(N2CCC[C@@H](N)C2)ncc(Br)c1=O ZINC000066112058 GD Annotated Mild CCCCc1ccc(-c2n[nH]nc2-c2nc(C(N)=O)nn2COCCO)cc1 ZINC000066252163 GD Annotated Anodyne CCCCCc1ccc(-c2n[nH]nc2-c2nc(C(N)=O)nn2COCCO)cc1 ZINC000066252164 GD Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c(C4CCNCC4)nc23)cn1 ZINC000066252744 GD Annotated Anodyne O=C(O)CN1CN(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2cc(F)ccc21 ZINC000066252828 GD Annotated Bother COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nn2)cn1 ZINC000066258591 GD Annotated Bother CS(=O)(=O)N[C@@H]1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21 ZINC000066258702 GD Annotated Anodyne CS(=O)(=O)N[C@H]1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21 ZINC000066258703 GD Annotated Anodyne O=C1OC[C@H]([C@H](O)c2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000066259035 GD Annotated Anodyne O=C1OC[C@@H]([C@H](O)c2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000066259036 GD Annotated Anodyne O=C(O)CN1CN(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc21 ZINC000066259631 GD Annotated Bother C/C(=N\NC(N)=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000068248449 GD Annotated Reactive Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4c(c3)OCO4)n2n1 ZINC000068250011 GD Annotated Anodyne CC(C)NC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000069061663 GD Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)c(O)c(O)c3C(=O)[C@@H]2OC)c(O)c1O ZINC000069482253 GD Annotated Clean in-vitro biogenic CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000007006664 GD Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000007006666 GD Annotated Anodyne CCOC(=O)c1c(S(=O)(=O)NCCCN2CCCC2=O)c(C)n(C)c1C ZINC000007006920 GD Annotated Anodyne COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]c(=S)[nH]c(=O)c32)cc(OC)c1OC ZINC000007342733 GD Annotated Reactive COc1ccc2c(c1)N1C(=O)C[C@H]3OCC=C4CN5CC[C@]26[C@H]1[C@@H]3[C@H]4C[C@]56O ZINC000070451049 GD Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000070454075 GD Annotated Anodyne in-vitro biogenic COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@H](O)C[C@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000070454199 GD Annotated Mild in-vitro biogenic C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)OC(C)=O)[C@H]23 ZINC000070455624 GD Annotated Mild in-vitro biogenic Cc1cc(CNS(=O)(=O)c2ccc(N/C=C3\CCOC3=O)cc2)nc(N)n1 ZINC000070463395 GD Annotated Anodyne COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@]1(C)O)C(=O)c1c(O)cccc1C3=O ZINC000070647093 GD Annotated Clean in-vitro COC(=O)[C@@H]1c2cc3c(c(O)c2C(=O)C[C@]1(C)O)C(=O)c1c(O)cccc1C3=O ZINC000070647094 GD Annotated Clean in-vitro COc1ccc(CNc2nc(NC[C@H](O)CO)nc3c2NCN3C(C)C)cc1 ZINC000070719142 GD Annotated Anodyne COc1ccc(CNc2nc(NC[C@@H](O)CO)nc3c2NCN3C(C)C)cc1 ZINC000070719145 GD Annotated Anodyne COc1ccc(CNc2nc(NC[C@H](O)CN)nc3c2NCN3C(C)C)cc1 ZINC000070719146 GD Annotated Anodyne COc1ccc(CNc2nc(NC[C@@H](O)CN)nc3c2NCN3C(C)C)cc1 ZINC000070720119 GD Annotated Anodyne COc1c2c(cc3c1[C@@]14C[C@H]5[C@@H](COC1=N3)[C@H]1C[C@@H]4N5C/C1=C\CO)OCO2 ZINC000071281373 GD Annotated Anodyne C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(N)cc1 ZINC000071294192 GD Annotated Reactive C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1cccc(O)c1 ZINC000071294359 GD Annotated Reactive CO[C@@]12CCN(C)C[C@H]1[C@H](c1ccc(N3CCOCC3)cc1)C(C#N)=C(N)O2 ZINC000071294485 GD Annotated Reactive C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(O)cc1 ZINC000071295365 GD Annotated Reactive COc1ccc(CN2CN(CC(=O)O)c3ncc(Cl)cc3S2(=O)=O)cc1 ZINC000071296206 GD Annotated Anodyne CN(C)CCn1ncc2c1nc(N)n1c(=O)n(Cc3cccc(Cl)c3)nc21 ZINC000071316029 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](OC(C)=O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000071317667 GD Annotated Mild C=C1C(=O)[C@@]23[C@@H](C[C@H](OC(C)=O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(C=O)[C@H]1C[C@H]3O ZINC000071317995 GD Annotated Mild Cc1cnc2c(c1)S(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)CN2CC(=O)O ZINC000071318691 GD Annotated Bother O=S(=O)(NCCOCCN1CCCC1)c1cccc(Br)c1 ZINC000071319184 GD Annotated Anodyne CN(C)C[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1 ZINC000071329168 GD Annotated Anodyne CCOC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071331284 GD Annotated Anodyne O=C(CCl)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071333764 GD Annotated Reactive O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(F)cc21)c1ccc(O)cc1 ZINC000071333869 GD Annotated Reactive O=c1cc(C(O)O)c2cc(Oc3ccc4[nH]c(=O)cc(C(O)O)c4c3)ccc2[nH]1 ZINC000071334148 GD Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000071334164 GD Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000071334165 GD Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000071334168 GD Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000071334169 GD Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1)C1CC1 ZINC000071341569 GD Annotated Anodyne CC(C)C(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071342068 GD Annotated Anodyne CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1 ZINC000071932093 GD Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1 ZINC000071932094 GD Annotated Anodyne CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1 ZINC000071932095 GD Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1 ZINC000071932097 GD Annotated Anodyne CCCc1ccc(-c2n[nH]c3c2CN(C(=O)c2cn(CCN)nn2)CC3)cc1 ZINC000071932753 GD Annotated Anodyne NCCC(=O)N1CCC2(CC1)CN(C(=O)Cc1cccc(Cl)c1)CCO2 ZINC000071984095 GD Annotated Anodyne NCCC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccc(Cl)cc1)CCO2 ZINC000071984103 GD Annotated Anodyne NCCCC(=O)N1CCC2(CC1)CN(C(=O)c1ccc(Cl)cc1)CCO2 ZINC000071984115 GD Annotated Anodyne CS(=O)(=O)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101851 GD Annotated Anodyne CS(=O)(=O)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101852 GD Annotated Anodyne CS(=O)(=O)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072102894 GD Annotated Anodyne CS(=O)(=O)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072102895 GD Annotated Anodyne CS(=O)(=O)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072103410 GD Annotated Anodyne CS(=O)(=O)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072103411 GD Annotated Anodyne CC(C)C(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@](C)(F)[C@H]1OC(=O)C(C)C ZINC000072104316 GD Annotated Anodyne in-man O=C1N[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](COC(=O)c2ccco2)O1 ZINC000072105478 GD Annotated Anodyne CC(C)(C)C(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072105892 GD Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@H](O)/C(C)=C/[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2O ZINC000072106175 GD Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@H](O)/C(C)=C/[C@H](O)[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@@H]2O ZINC000072106176 GD Annotated Anodyne CCCCNC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072106261 GD Annotated Anodyne O=C(CN1C(=O)[C@H](Cc2ccccc2)NC2(C1=O)C1CC3CC(C1)CC2C3)NO ZINC000072107071 GD Annotated Bother CC(C)CC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072107252 GD Annotated Anodyne CS(=O)(=O)NCc1ccc2c(c1)[nH]c(=O)n2-c1cc(Cl)c(O)cc1O ZINC000072107361 GD Annotated Anodyne CC(C)(C)NC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072107417 GD Annotated Anodyne O=C(CN1C(=O)[C@@H](Cc2ccccc2)NC2(C1=O)C1CC3CC(C1)CC2C3)NO ZINC000072108053 GD Annotated Bother C=C1C(=O)[C@]23C[C@H]1CC=C2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000072108605 GD Annotated Mild CCCNC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072108770 GD Annotated Anodyne CN1CC2(CNC(=O)c3c2[nH]c2c3CCc3cnc(-c4ccc(F)nc4)nc3-2)C1 ZINC000072109881 GD Annotated Anodyne CC(=O)O[C@@]12C[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000072110006 GD Annotated Anodyne in-vitro C/C(=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C ZINC000072114190 GD Annotated Mild CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H](NC(=O)c1ccccc1)[C@H](O)c1ccccc1 ZINC000072114244 GD Annotated Anodyne CCN/C(=N\S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)N1C[C@@H](CC)C=N1 ZINC000072122648 GD Annotated Mild CCN/C(=N\S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)N1C[C@H](CC)C=N1 ZINC000072122649 GD Annotated Mild CS[C@@]1(CO)C(=O)N2c3cc([N+](=O)[O-])ccc3C[C@]2(SC)C(=O)N1C ZINC000072122804 GD Annotated Bother COc1ccc(/C=c2\nc(OC)/c(=C/c3ccc(OC)cc3)n(C)c2=O)cc1 ZINC000072123493 GD Annotated Anodyne CCOC(=O)N1CCN(CN2C(=O)N[C@](c3ccccc3)(C3CC3)C2=O)CC1 ZINC000072125831 GD Annotated Anodyne CCOC(=O)N1CCN(CN2C(=O)N[C@@](c3ccccc3)(C3CC3)C2=O)CC1 ZINC000072125832 GD Annotated Anodyne O=C1c2cc3ncn(CCn4cc(Cl)cn4)c(=O)c3cc2O[C@@H]2CCCN12 ZINC000072127879 GD Annotated Anodyne O=C1c2cc3ncn(CCn4cc(Cl)cn4)c(=O)c3cc2O[C@H]2CCCN12 ZINC000072127880 GD Annotated Anodyne O=C(c1ccco1)N1CCN([C@H]2CN(Cc3ccccc3)S(=O)(=O)C2)CC1 ZINC000072137591 GD Annotated Anodyne O=C(c1ccco1)N1CCN([C@@H]2CN(Cc3ccccc3)S(=O)(=O)C2)CC1 ZINC000072137592 GD Annotated Anodyne CC(C)C[C@@H]1COc2cc(NCCCN3CCOCC3)ccc2S(=O)(=O)N1 ZINC000072139683 GD Annotated Anodyne CC(C)C[C@H]1COc2cc(NCCCN3CCOCC3)ccc2S(=O)(=O)N1 ZINC000072139684 GD Annotated Anodyne N#Cc1ccnn1CCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072174868 GD Annotated Mild N#Cc1ccnn1CCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072174869 GD Annotated Mild O=C1c2cc3c(cc2OCN1CCn1cc(Cl)cn1)C(=O)N1CCC[C@H]1O3 ZINC000072174870 GD Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1cc(Cl)cn1)C(=O)N1CCC[C@@H]1O3 ZINC000072174871 GD Annotated Anodyne N#Cc1cnn(CCN2COc3cc4c(cc3C2=O)O[C@@H]2CCCN2C4=O)c1 ZINC000072174952 GD Annotated Mild N#Cc1cnn(CCN2COc3cc4c(cc3C2=O)O[C@H]2CCCN2C4=O)c1 ZINC000072174953 GD Annotated Mild O=C1c2cc3c(cc2OCN1CCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@H]1O3 ZINC000072174968 GD Annotated Bother O=C1c2cc3c(cc2OCN1CCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H]1O3 ZINC000072174969 GD Annotated Bother N#Cc1ccn(CCN2COc3cc4c(cc3C2=O)O[C@@H]2CCCN2C4=O)n1 ZINC000072175008 GD Annotated Mild N#Cc1ccn(CCN2COc3cc4c(cc3C2=O)O[C@H]2CCCN2C4=O)n1 ZINC000072175009 GD Annotated Mild O=C1c2cc3c(cc2OCN1CCn1cnc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1O3 ZINC000072175213 GD Annotated Bother O=C1c2cc3c(cc2OCN1CCn1cnc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1O3 ZINC000072175214 GD Annotated Bother CCOC(=O)c1cnn(-c2nc(-c3ccccc3Cl)c(C#N)c(=O)n2C)c1N ZINC000072177460 GD Annotated Mild Cc1nc2sc(S(N)(=O)=O)nn2c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000072177596 GD Annotated Clean COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)[C@@H](O)[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C ZINC000072178163 GD Annotated Mild CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)c(C#N)c(=O)n2C)c1N ZINC000072178288 GD Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@H](CO)c1ccc(OC(F)(F)F)cc1)C2 ZINC000072180035 GD Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@@H](CO)c1ccc(OC(F)(F)F)cc1)C2 ZINC000072180036 GD Annotated Bother COc1ccc(/N=N/c2c(C)nc3sc(S(N)(=O)=O)nn3c2=O)cc1 ZINC000072180574 GD Annotated Clean N#Cc1cc(CC(=O)N/N=C2\C(=O)Nc3ccc(C(=O)O)c(Cl)c32)ccc1O ZINC000072181720 GD Annotated Reactive Cn1cc(CC(=O)N/N=C2\C(=O)Nc3c(Cl)ccc(Cl)c32)ccc1=O ZINC000072181763 GD Annotated Reactive CCOC(=O)c1cnn(-c2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)n2C)c1N ZINC000072183862 GD Annotated Mild CCOC(=O)c1cnn(-c2nc(-c3ccccc3F)c(C#N)c(=O)n2C)c1N ZINC000072184027 GD Annotated Mild C[C@@H](O)[C@H]1C(=O)[C@@H]2C(C(=O)O)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@@H]21 ZINC000072190117 GD Annotated Anodyne investigational C[C@@H](O)[C@H]1C(=O)[C@H]2C(C(=O)O)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12 ZINC000072190118 GD Annotated Anodyne investigational NC(=O)c1[nH]nc2c1CN([C@H]1CS[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000072317934 GD Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCCCn1ccnc1 ZINC000072323528 GD Annotated Mild Cc1cc(CN2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1F ZINC000072419864 GD Annotated Anodyne Cc1cc(C)cc(CN2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000072435335 GD Annotated Anodyne CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@]1(O)C[C@H](OC(C)=O)[C@]21CO1 ZINC000072940774 GD Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@@H]1c1ccccc1 ZINC000073138096 GD Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@H]1c1ccccc1 ZINC000073138100 GD Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@@H]1c1ccccc1O ZINC000073138104 GD Annotated Clean O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@H]1c1ccccc1O ZINC000073138109 GD Annotated Clean O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@H]1c1ccc(O)cc1 ZINC000073138113 GD Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@@H]1c1ccc(O)cc1 ZINC000073138117 GD Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000073138138 GD Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000073138141 GD Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@H]1c1cccs1 ZINC000073138451 GD Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@@H]1c1cccs1 ZINC000073138454 GD Annotated Anodyne Cc1cc(=O)oc2cc3occ(/C=C4/C(=O)NC(=S)N=C4O)c(=O)c3cc12 ZINC000073140497 GD Annotated Clean COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2ccccn2c1/C=N/N=C(N)N ZINC000073141060 GD Annotated Mild C[C@H](Cn1cc(C#N)cn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000073142299 GD Annotated Mild CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(NC(C)=O)nc4)cc3OC[C@@H]12 ZINC000073157728 GD Annotated Anodyne CO[C@]1(C)O[C@H]2[C@@H](OCC=C(C)C)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC ZINC000073161822 GD Annotated Mild O=C(OCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O)c1ccccn1 ZINC000073163778 GD Annotated Anodyne O=C(OCN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O)c1ccccn1 ZINC000073163781 GD Annotated Anodyne O=C(OCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O)c1ccncc1 ZINC000073163789 GD Annotated Anodyne O=C(OCN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O)c1ccncc1 ZINC000073163792 GD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C#N)nc4)cc3OC[C@@H]12 ZINC000073164367 GD Annotated Mild CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc([N+](=O)[O-])nc4)cc3OC[C@@H]12 ZINC000073164996 GD Annotated Bother Cc1cc(C)c2cc1C(=O)NCCOC(=O)NCCSc1cc-2nc(N)n1 ZINC000073166354 GD Annotated Anodyne Cc1cc(C)c2cc1C(=O)NCCNC(=O)OCCSc1cc-2nc(N)n1 ZINC000073166356 GD Annotated Anodyne O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccccn3)cc2)CC=CCN1O ZINC000073166886 GD Annotated Anodyne O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccncc3)cc2)CC=CCN1O ZINC000073166890 GD Annotated Anodyne COC(=O)c1nnn(CC(=O)c2ccc(Br)cc2)c1C(=O)OC ZINC000073168139 GD Annotated Anodyne CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000073168293 GD Annotated Clean CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C#CCO)nc4)cc3OC[C@@H]12 ZINC000073169072 GD Annotated Mild COC(=O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CNC(C)=O)OC(=O)N32)cn1 ZINC000073170099 GD Annotated Anodyne O=c1[nH]ccc2c(Cc3nnc4ccc(-c5cnn(CCO)c5)nn34)cccc12 ZINC000073196405 GD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C5(N)CC5)nc4)cc3OC[C@@H]12 ZINC000073196836 GD Annotated Anodyne CCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)s1 ZINC000073197054 GD Annotated Anodyne C=CCO[C@@H]1O[C@H](Cn2c(S)nnc2-c2ccc(Cl)cc2)[C@@H](O)[C@H]1O ZINC000073197952 GD Annotated Mild CC(C)(C)OC(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1 ZINC000073198069 GD Annotated Anodyne CCCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)o1 ZINC000073198992 GD Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2CN1C ZINC000073199208 GD Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CN1C ZINC000073199567 GD Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c2c(cc2nnn(CCN(C)C)c23)C1=O ZINC000073199982 GD Annotated Anodyne NC[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)C/C1=N\OCF ZINC000073200336 GD Annotated Mild NC[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)C/C1=N\OCF ZINC000073200338 GD Annotated Mild COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2CN1C ZINC000073219013 GD Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)n2nnnc2-c2ccc3c(c2)OCO3)cc1 ZINC000073220216 GD Annotated Bother Cc1ccccc1-n1c(C)nc2c(OCC(=O)NNC(N)=O)cccc2c1=O ZINC000073239830 GD Annotated Reactive CCOC(=O)c1cn(Cc2cn(CCO)nn2)c2cc(Cl)c(F)cc2c1=O ZINC000073295782 GD Annotated Anodyne CC(=O)/C=C/CCC(=O)/C=C/C(=O)O[C@H](CCC(=O)/C=C/C(=O)O)CC(C)=O ZINC000073354205 GD Annotated Mild COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]c(=S)[nH]c(=O)c32)cc(OC)c1OC ZINC000007516537 GD Annotated Reactive CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC2CCC(O)CC2)c1 ZINC000007781912 GD Annotated Anodyne Cc1cc(C)nc(SCC(=O)NNS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000007986836 GD Annotated Reactive O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCN1CCCc2ccccc21 ZINC000007991196 GD Annotated Anodyne COC(=O)C1=NO[C@@]2(C=C(Br)C(OC)=C(Br)C2=O)C1 ZINC000007992212 GD Annotated Mild COC(=O)C1=NO[C@]2(C=C(Br)C(OC)=C(Br)C2=O)C1 ZINC000007992213 GD Annotated Mild NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H]([C@@H]1C[C@@H]3C=C[C@H]1C3)NS2(=O)=O ZINC000007996931 GD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)C/C=C\[C@H]1C)O2 ZINC000007998145 GD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@@H]2C=C[C@@H](O)[C@@H](COC(=O)C/C=C\[C@H]1C)O2 ZINC000007998149 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)[C@H](C)COC(=O)C/C=C\[C@H]2C)cc1 ZINC000007998158 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)[C@@H](C)COC(=O)C/C=C\[C@H]2C)cc1 ZINC000007998161 GD Annotated Anodyne COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\O[C@@H](C)c1cn([C@H]2COC[C@H]2O)nn1)OC ZINC000007998429 GD Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000007998601 GD Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]3CC[C@@H]12 ZINC000007998619 GD Annotated Mild C[C@]12CC[C@H](O)[C@H](O1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2 ZINC000077257237 GD Annotated Clean COc1ccc(Cl)cc1CN1CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC000078282085 GD Annotated Anodyne COc1ccc(Cl)cc1CN1CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC000078282090 GD Annotated Anodyne NC(=O)CC1(NS(=O)(=O)c2ccc(Br)s2)CCOCC1 ZINC000079017665 GD Annotated Anodyne O=C(Nc1ccn(Cc2ccccn2)n1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000079068138 GD Annotated Anodyne O=C(Nc1ccn(Cc2ccccn2)n1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000079068140 GD Annotated Anodyne CC(C)CN(C(=O)Cn1c(=O)cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000008036308 GD Annotated Anodyne CC(C)CN(C(=O)Cn1c(=O)cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000008036309 GD Annotated Anodyne COc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000008131312 GD Annotated Bother COc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000008131315 GD Annotated Bother COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000008131318 GD Annotated Bother COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000008131321 GD Annotated Bother Nc1c(C(=O)CSc2nnc(Cc3ccccc3)o2)c(=O)[nH]c(=O)n1C1CC1 ZINC000008230692 GD Annotated Anodyne O=C1CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NCCO1 ZINC000008381166 GD Annotated Anodyne CCC[C@H](O)C[C@H](CC)SC[C@@H](C(=O)O)N1CO[C@](O)(C(C)C)C1=O ZINC000082047595 GD Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(CCO)CC4)[C@H]3[C@@H]3O[C@@]132 ZINC000082051670 GD Annotated Anodyne COc1ccccc1O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000082051854 GD Annotated Anodyne CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2ccc(C)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082051865 GD Annotated Anodyne O=C1C=C2C[C@H](N3CCN(c4ccccn4)CC3)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 ZINC000082051982 GD Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN4CCOCC4)[C@H]3[C@H]3O[C@]132 ZINC000082052938 GD Annotated Anodyne O=C(O)[C@H]1CSCN1c1nc2nonc2nc1Nc1ccc([N+](=O)[O-])cc1 ZINC000082053410 GD Annotated Bother O=C(O)[C@@H]1CSCN1c1nc2nonc2nc1Nc1ccc([N+](=O)[O-])cc1 ZINC000082053413 GD Annotated Bother COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N(C)CCO)n2)cc1 ZINC000082066497 GD Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CCCO3)nc(N(C)CCO)n2)cc1 ZINC000082066498 GD Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(C)CCO)n2)cc1 ZINC000082066559 GD Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N(C)CCO)n2)cc1 ZINC000082066569 GD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCCNC3=O)C2)cs1 ZINC000082069388 GD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCCNC3=O)C2)cs1 ZINC000082069389 GD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CCCCNC3=O)C2)cs1 ZINC000082069390 GD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCCCNC3=O)C2)cs1 ZINC000082069391 GD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)N4CCNCC4)C3)co2)cc1 ZINC000082069474 GD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)N4CCNCC4)C3)co2)cc1 ZINC000082069475 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)co1 ZINC000082069496 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)co1 ZINC000082069497 GD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H](C(=O)OCCOCCN(C)C)C2)cs1 ZINC000082069648 GD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H](C(=O)OCCOCCN(C)C)C2)cs1 ZINC000082069649 GD Annotated Anodyne CCc1nc(C(=O)N[C@H](C(=O)NCCCN2CCN(C)CC2)C(C)C)cs1 ZINC000082070190 GD Annotated Anodyne CCc1nc(C(=O)N[C@@H](C(=O)NCCCN2CCN(C)CC2)C(C)C)cs1 ZINC000082070191 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)N[C@@H]2CCCCNC2=O)co1 ZINC000082070509 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)N[C@@H]2CCCCNC2=O)co1 ZINC000082070510 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)N[C@H]2CCCCNC2=O)co1 ZINC000082070511 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)N[C@H]2CCCCNC2=O)co1 ZINC000082070512 GD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCOCCN(C)C)co2)cc1 ZINC000082070800 GD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OCCOCCN(C)C)co2)cc1 ZINC000082070801 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCOCCN(C)C)co1 ZINC000082070826 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCOCCN(C)C)co1 ZINC000082070827 GD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)O ZINC000082070966 GD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)O ZINC000082070967 GD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)O ZINC000082070993 GD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)O ZINC000082070994 GD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)O ZINC000082071017 GD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)O ZINC000082071018 GD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(N)=O ZINC000082071065 GD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(N)=O ZINC000082071066 GD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(N)=O ZINC000082071096 GD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(N)=O ZINC000082071097 GD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(N)=O ZINC000082071116 GD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(N)=O ZINC000082071117 GD Annotated Anodyne CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(CC)n1 ZINC000082071142 GD Annotated Anodyne CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(CC)n1 ZINC000082071143 GD Annotated Anodyne COC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071219 GD Annotated Anodyne COC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071220 GD Annotated Anodyne COC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071243 GD Annotated Anodyne COC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071244 GD Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(CC)n1 ZINC000082071257 GD Annotated Mild CCC#CCOC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(CC)n1 ZINC000082071258 GD Annotated Mild CN(C)CCOCCOC(=O)CNC(=O)c1csc(-c2ccccc2)n1 ZINC000082072222 GD Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)OCCOCCN(C)C)co2)cc1 ZINC000082072261 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)OCCOCCN(C)C)co1 ZINC000082072283 GD Annotated Anodyne CN(CC(=O)N[C@@H]1CCCCNC1=O)C(=O)c1csc(-c2ccccc2)n1 ZINC000082073667 GD Annotated Anodyne CN(CC(=O)N[C@H]1CCCCNC1=O)C(=O)c1csc(-c2ccccc2)n1 ZINC000082073669 GD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)N[C@@H]3CCCCNC3=O)co2)cc1 ZINC000082073723 GD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)N[C@H]3CCCCNC3=O)co2)cc1 ZINC000082073725 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)N[C@@H]2CCCCNC2=O)co1 ZINC000082073743 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)N[C@H]2CCCCNC2=O)co1 ZINC000082073746 GD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OCCOCCN(C)C)co2)cc1 ZINC000082074020 GD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCOCCN(C)C)co1 ZINC000082074045 GD Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)OCCN(CCN)CCO)cs1 ZINC000082074802 GD Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)N2CCNCC2)cs1 ZINC000082075698 GD Annotated Anodyne NCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000082081346 GD Annotated Anodyne NCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000082081347 GD Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCN ZINC000082082267 GD Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCN ZINC000082082270 GD Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCCNCC1 ZINC000082082376 GD Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCCNCC1 ZINC000082082377 GD Annotated Anodyne C[C@H](/C(O)=N/CC1CCOCC1)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082082927 GD Annotated Mild C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCCNCC1 ZINC000082083276 GD Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCCNCC1 ZINC000082083279 GD Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCN)cs2)c1 ZINC000082083337 GD Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)OCCN)cs2)c1 ZINC000082083339 GD Annotated Anodyne C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCN(C)C ZINC000082083720 GD Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCN(C)C ZINC000082083723 GD Annotated Anodyne Cc1cc(Nc2ccc3c(n2)C(=O)N([C@H](C)/C(O)=N/CCN(C)C)C3)n(C)n1 ZINC000082083764 GD Annotated Mild C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCOCCN(C)C ZINC000082083882 GD Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCOCCN(C)C ZINC000082083886 GD Annotated Anodyne C[C@H](/C(O)=N/CCCn1ccnc1)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082084040 GD Annotated Mild COC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084397 GD Annotated Anodyne COC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084398 GD Annotated Anodyne CN(C)CCCCOC(=O)CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084938 GD Annotated Anodyne O=C(CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)OCCc1ccccn1 ZINC000082084944 GD Annotated Anodyne CN(C)CCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084973 GD Annotated Bother NCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085260 GD Annotated Bother NCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085261 GD Annotated Bother NCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085366 GD Annotated Bother NCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085367 GD Annotated Bother CN(CC(=O)N[C@@H]1CCCCNC1=O)C(=O)c1coc(-c2cccs2)n1 ZINC000082085662 GD Annotated Anodyne CN(CC(=O)N[C@H]1CCCCNC1=O)C(=O)c1coc(-c2cccs2)n1 ZINC000082085663 GD Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)OCCN)cs2)c1 ZINC000082085723 GD Annotated Anodyne CN(CC(=O)N1CCNCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085740 GD Annotated Bother CN(CC(=O)N1CCNCC1)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085751 GD Annotated Anodyne CN(C)CCOC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085769 GD Annotated Bother CN(C)CCOC(=O)CN(C)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085780 GD Annotated Anodyne CN(C)CCOCCOC(=O)CN(C)C(=O)c1coc(-c2cccs2)n1 ZINC000082085814 GD Annotated Anodyne CN(C)CCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085828 GD Annotated Bother NCCN(CCO)CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082086232 GD Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)OCCN(CCN)CCO)cs2)c1 ZINC000082086255 GD Annotated Anodyne NCCN(CCO)CCOC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086276 GD Annotated Bother O=C(OCCOCCN1CCNCC1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082086309 GD Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)OCCN(C)C)cs2)c1 ZINC000082089329 GD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC)=C31)O2 ZINC000082123174 GD Annotated Mild COc1cc2nc(NC[C@H](O)CO)nc(NCCCOC(C)C)c2cc1OC ZINC000082129466 GD Annotated Anodyne COc1cc2nc(NC[C@@H](O)CO)nc(NCCCOC(C)C)c2cc1OC ZINC000082129469 GD Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3)n2)C1 ZINC000082132655 GD Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3)n2)C1 ZINC000082132657 GD Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2CCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135495 GD Annotated Bother CC(=O)NCCNC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135998 GD Annotated Bother CCN(C)c1ncc(C(=O)NCCNC(C)=O)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136130 GD Annotated Bother CCN(C)C(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136193 GD Annotated Bother COCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccco1 ZINC000082141813 GD Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 ZINC000082142279 GD Annotated Mild CC(=O)NCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccco2)n1 ZINC000082142588 GD Annotated Mild COCCNc1ncc(C(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148366 GD Annotated Bother CC(=O)NCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149033 GD Annotated Bother CCCCn1c(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)n[nH]c1=O ZINC000082149333 GD Annotated Anodyne COc1cc(Cc2n[nH]c(=O)n2C(C)(C)C)c(S(=O)(=O)N(C)C)cc1OC ZINC000082149336 GD Annotated Anodyne O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082149344 GD Annotated Bother O=C(CN[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000082149349 GD Annotated Bother CO[C@]1(CO)CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O ZINC000082149695 GD Annotated Anodyne CCN(C)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150257 GD Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N/N=C/c1cnn2ccc(C#N)cc12 ZINC000082151929 GD Annotated Mild O=C(O)[C@H]1NCCN(C(=O)c2ccc3cc4ccccc4cc3c2)[C@H]1C(=O)O ZINC000082152410 GD Annotated Bother Cc1ncc(Cn2cc(COc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nn2)c(N)n1 ZINC000082152455 GD Annotated Bother CN(C)CCCn1nnc2cc3c4c(cccc4c21)C(=O)N(CCN(C)C)C3=O ZINC000082153187 GD Annotated Anodyne CN(C)CCCN1C(=O)c2cccc3c2c(cc2nnn(CCN(C)C)c23)C1=O ZINC000082153521 GD Annotated Anodyne CCn1c(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)n[nH]c1=S ZINC000082153621 GD Annotated Anodyne O=C(O)c1ccc(-c2ccc(C(=O)N3CCN[C@H](C(=O)O)[C@@H]3C(=O)O)cc2)cc1 ZINC000082154222 GD Annotated Anodyne COc1cc(Cc2n[nH]c(=O)n2C(C)C)c(S(=O)(=O)N(C)C)cc1OC ZINC000082154417 GD Annotated Anodyne Nc1nc(N2CCN(C(=O)c3ccccc3)CC2)nc2nc(-c3ccco3)nn12 ZINC000082154607 GD Annotated Anodyne CCOC(=O)c1cn(C2CC2)c2ccc(C#CCN3CCNCC3)cc2c1=O ZINC000082156186 GD Annotated Mild O=C(O)[C@H]1NCCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)[C@H]1C(=O)O ZINC000082156329 GD Annotated Mild CC(C)(C)CC(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1 ZINC000082158864 GD Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(C#N)cc1 ZINC000082158938 GD Annotated Mild COC(=O)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082195982 GD Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(C)=O)C3 ZINC000082196000 GD Annotated Anodyne COC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196120 GD Annotated Anodyne CC(=O)OC(C)(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196129 GD Annotated Anodyne COC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196131 GD Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)N1CCOCC1)CC3 ZINC000082196172 GD Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)N1CCOCC1)CC3 ZINC000082196185 GD Annotated Anodyne CC(=O)OCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196304 GD Annotated Anodyne CCOC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196311 GD Annotated Anodyne COC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196313 GD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082199895 GD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082199897 GD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082199899 GD Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCCOC(C)C)n2)CC1 ZINC000082203593 GD Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCc3ccccn3)n2)CC1 ZINC000082203602 GD Annotated Anodyne CCOC(=O)C[C@@H](C)Nc1nc(N2CCN(CC(=O)OCC)CC2)ncc1C ZINC000082203864 GD Annotated Anodyne CCOC(=O)C[C@H](C)Nc1nc(N2CCN(CC(=O)OCC)CC2)ncc1C ZINC000082203867 GD Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCNc3ccccc3)n2)CC1 ZINC000082203870 GD Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCOc3ccccc3)n2)CC1 ZINC000082203877 GD Annotated Anodyne CCOC(=O)N1CCC(Nc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)CC1 ZINC000082204280 GD Annotated Anodyne CCOC(=O)N1CCC(Nc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)CC1 ZINC000082204282 GD Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 ZINC000082204560 GD Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 ZINC000082204563 GD Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)CCN3)c1 ZINC000082204665 GD Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2)C1CC1 ZINC000082204767 GD Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2 ZINC000082204843 GD Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2)c1ccncc1 ZINC000082204880 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204968 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204973 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204974 GD Annotated Anodyne COCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205007 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205215 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205219 GD Annotated Anodyne C=CCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205316 GD Annotated Mild COCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205522 GD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205525 GD Annotated Mild CC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205579 GD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205677 GD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205681 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205717 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205730 GD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205864 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205867 GD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205952 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205974 GD Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2)C1CC1 ZINC000082206009 GD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206010 GD Annotated Mild NCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206051 GD Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206151 GD Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206154 GD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206156 GD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206158 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206198 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206200 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206450 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206451 GD Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206769 GD Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206770 GD Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206911 GD Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206912 GD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)C[C@H](C)N3)cc1 ZINC000082207048 GD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)C[C@@H](C)N3)cc1 ZINC000082207050 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207449 GD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207452 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207454 GD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207456 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207481 GD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207482 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207488 GD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207491 GD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)C[C@@H](CC)N3)cc1 ZINC000082207711 GD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)C[C@H](CC)N3)cc1 ZINC000082207714 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(CCOC)c2=O)N1 ZINC000082207715 GD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(CCOC)c2=O)N1 ZINC000082207718 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208064 GD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208067 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(CCOC)c2=O)N1 ZINC000082208152 GD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(CCOC)c2=O)N1 ZINC000082208153 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208258 GD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208260 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208282 GD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208285 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208286 GD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208288 GD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](CC)N2 ZINC000082208295 GD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC)N2 ZINC000082208298 GD Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208313 GD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208314 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208570 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208773 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208774 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208783 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208784 GD Annotated Anodyne NCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208791 GD Annotated Anodyne NCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208794 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208802 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208803 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208811 GD Annotated Anodyne NCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208814 GD Annotated Anodyne COCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208902 GD Annotated Anodyne COCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208905 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208996 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208999 GD Annotated Anodyne NCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209532 GD Annotated Anodyne NCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209534 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209754 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209755 GD Annotated Anodyne C=CCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209906 GD Annotated Mild C=CCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209911 GD Annotated Mild C=CCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209924 GD Annotated Mild C=CCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209925 GD Annotated Mild NCC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210153 GD Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210155 GD Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210173 GD Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210174 GD Annotated Anodyne NCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210230 GD Annotated Anodyne NCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210234 GD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210362 GD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210364 GD Annotated Anodyne CCCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210454 GD Annotated Anodyne CCCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210458 GD Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210574 GD Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210579 GD Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082210822 GD Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082210825 GD Annotated Anodyne C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082210855 GD Annotated Anodyne C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082210863 GD Annotated Anodyne C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082210952 GD Annotated Anodyne C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082210956 GD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211187 GD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211190 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](C)CN2 ZINC000082211272 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211275 GD Annotated Anodyne C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211301 GD Annotated Anodyne C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211307 GD Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211316 GD Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211318 GD Annotated Anodyne C[C@@H]1CNc2c(NCC3CCCCC3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082211591 GD Annotated Anodyne C[C@H]1CNc2c(NCC3CCCCC3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082211594 GD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](C)CN2 ZINC000082211619 GD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](C)CN2 ZINC000082211621 GD Annotated Anodyne C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082211630 GD Annotated Anodyne C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082211633 GD Annotated Anodyne C[C@@H]1CNc2c(NCC3CCCCC3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082211709 GD Annotated Anodyne C[C@H]1CNc2c(NCC3CCCCC3)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082211712 GD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@H](C)CN2 ZINC000082211728 GD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@@H](C)CN2 ZINC000082211731 GD Annotated Anodyne C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082211740 GD Annotated Anodyne C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082211741 GD Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(CCN)c(=O)n21 ZINC000082211876 GD Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(CCN)c(=O)n21 ZINC000082211878 GD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211974 GD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211976 GD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)[C@H](C)CN3)cc1 ZINC000082212057 GD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)[C@@H](C)CN3)cc1 ZINC000082212059 GD Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CN)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082212291 GD Annotated Anodyne C[C@H]1CNc2c(NC(=O)CN)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082212293 GD Annotated Anodyne COCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082212335 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@H](C)CN2 ZINC000082212457 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212459 GD Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccccc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212487 GD Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccccc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212490 GD Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccncc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212520 GD Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccncc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212522 GD Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CN)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212573 GD Annotated Anodyne C[C@H]1CNc2c(NC(=O)CN)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212575 GD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](C)CN2 ZINC000082212650 GD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](C)CN2 ZINC000082212653 GD Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212665 GD Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212667 GD Annotated Anodyne Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCCc1ccccn1 ZINC000082212914 GD Annotated Anodyne CCOC(=O)C[C@@H](C)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082212929 GD Annotated Anodyne CCOC(=O)C[C@H](C)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082212931 GD Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000082217253 GD Annotated Mild C[C@H](O)CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082219926 GD Annotated Anodyne C[C@@H](O)CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082219929 GD Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082219934 GD Annotated Anodyne C[C@@H](O)CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082219937 GD Annotated Anodyne C[C@@H](O)CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082220057 GD Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082220059 GD Annotated Anodyne C[C@@H](O)CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082220061 GD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082224139 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224238 GD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224240 GD Annotated Anodyne CCOC(=O)Cc1nc2nc(N(C)[C@@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O ZINC000082231290 GD Annotated Anodyne CCOC(=O)Cc1nc2nc(N(C)[C@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O ZINC000082231291 GD Annotated Anodyne CCOC(=O)Cc1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231294 GD Annotated Anodyne CCOC(=O)CCc1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231309 GD Annotated Anodyne COCCCN(CCCOC)[C@@H](COC)C(=O)Oc1c(OC)cccc1OC ZINC000084462555 GD Annotated Anodyne COCCCN(CCCOC)[C@H](COC)C(=O)Oc1c(OC)cccc1OC ZINC000084462556 GD Annotated Anodyne COc1ccc(C(=O)Cn2c[n+](CC(=O)c3ccc(OC)cc3O)cn2)c(O)c1 ZINC000084566852 GD Annotated Mild Cn1nncc1[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO ZINC000084602611 GD Annotated Bother CCOC(=O)N1CCCN(/[N+]([O-])=N/Oc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000084602682 GD Annotated Mild C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@@H](N)[C@H]1O ZINC000084602757 GD Annotated Clean C[C@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@H](N)[C@@H]1O ZINC000084602758 GD Annotated Clean CCOC(=O)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000084602869 GD Annotated Mild Nc1ncc(CNc2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)c(N)n1 ZINC000084616154 GD Annotated Anodyne O=C(CN1CCCC1)N1CCc2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2C1 ZINC000084617172 GD Annotated Anodyne O=C(CN1CCOCC1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1 ZINC000084617792 GD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(C)[C@H](C[C@@H]3O)[C@](C)(C(=O)OC)C[C@H](O)[C@@H]1O ZINC000084632286 GD Annotated Mild COC(=O)[C@]1(C)CC[C@H](O)[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@@H](CO)C3=O ZINC000084632287 GD Annotated Anodyne CN1CCN(C(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)CC1 ZINC000084633671 GD Annotated Anodyne COC(=O)/N=c1/[nH]c2ccc(S(=O)(=O)NCc3ccc(F)cc3F)cc2[nH]1 ZINC000084634291 GD Annotated Anodyne C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@H](N)[C@H]1O ZINC000084634376 GD Annotated Clean C[C@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@@H](N)[C@@H]1O ZINC000084634377 GD Annotated Clean Cc1c(O)c(O)c(O)c2c1CO[C@H]2[C@H]1O[C@@H](O)c2c(C)c(O)c(O)c(O)c21 ZINC000084635045 GD Annotated Clean Cc1c(O)c(O)c(O)c2c1CO[C@H]2[C@H]1O[C@H](O)c2c(C)c(O)c(O)c(O)c21 ZINC000084635047 GD Annotated Clean O=C(O)C(=O)N[C@@H](CSSc1cccc(Br)c1)C(=O)O ZINC000084653397 GD Annotated Reactive C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(CC3C[C@H](O)[C@H](O)C3)c2n1 ZINC000084654186 GD Annotated Anodyne CC[C@@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H]3OC(=O)O[C@H]32)cc1F ZINC000084670461 GD Annotated Anodyne CC[C@H](C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H]3OC(=O)O[C@H]32)cc1F ZINC000084670462 GD Annotated Anodyne CC(C)CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H]3OC(=O)O[C@H]32)cc1F ZINC000084670463 GD Annotated Anodyne COc1ccc(Cn2cc([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(F)c32)cc1 ZINC000084670661 GD Annotated Anodyne O=C(O)c1cc(CN2CCN(c3ccccc3)C(=O)C2)c2ccccn2c1=O ZINC000084671420 GD Annotated Anodyne NC1CCN(C(=O)c2cc(Cc3nnc(O)c4c3NCCC4)ccc2F)CC1 ZINC000084687506 GD Annotated Anodyne O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000084688818 GD Annotated Bother O=[N+]([O-])c1ncn(CCCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000084688819 GD Annotated Bother Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CN(Cc2ccccn2)CCO1 ZINC000084690757 GD Annotated Anodyne CNC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1nc(C)c(CCO)s1 ZINC000084708054 GD Annotated Anodyne CNC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1nc(C)c(CCO)s1 ZINC000084708057 GD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@@](O)(C=C[C@@]52C=O)[C@]63O)CC[C@@H]41 ZINC000084733602 GD Annotated Mild CS(=O)(=O)Nn1c(Sc2ccccc2C(=O)O)nc2ccsc2c1=O ZINC000084740844 GD Annotated Anodyne O=C(O)C(=O)N[C@@H](CSSc1ccccc1Br)C(=O)O ZINC000084758536 GD Annotated Reactive O=c1cc(N2CCOCC2)nc(Cc2nc3cc(Br)ccc3[nH]2)[nH]1 ZINC000084759287 GD Annotated Anodyne CN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1F ZINC000008589811 GD Annotated Anodyne CCN(CC)CCNC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000008593643 GD Annotated Anodyne CN(C)S(=O)(=O)N1CCC(n2c(C(F)(F)F)nc3cccnc32)CC1 ZINC000008599335 GD Annotated Anodyne CC[C@@H](C)NC(=O)Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000008600883 GD Annotated Anodyne CC[C@H](C)NC(=O)Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000008600884 GD Annotated Anodyne CC1CCN(c2nn3c(=O)c(C(=O)NCCCOC(C)C)cnc3s2)CC1 ZINC000008602994 GD Annotated Anodyne CCOCCCNC(=O)c1cnc2sc(N3CCCCCC3)nn2c1=O ZINC000008603624 GD Annotated Anodyne COc1cccc(CNC(=O)Cn2c(=O)cc(C)c3c(C)nn(C)c32)c1OC ZINC000008603858 GD Annotated Anodyne Cc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c2c1c(C)nn2C ZINC000008604052 GD Annotated Anodyne CN(C)CCNC(=O)CN1C(=O)CCn2nc(-c3cn(C)c4ccccc34)cc21 ZINC000008609660 GD Annotated Anodyne Cn1c(=O)c2nc(NN=Cc3cccc(Br)c3)[nH]c2n(C)c1=O ZINC000008616100 GD Annotated Anodyne Cn1c(=O)c2nc(NN=Cc3ccc(Br)cc3)[nH]c2n(C)c1=O ZINC000008616106 GD Annotated Anodyne COc1nc(C)nc(NC(=O)NC(=O)c2c(OC)ccc([N+](=O)[O-])c2OC)n1 ZINC000008626767 GD Annotated Bother CCC1=C2CC[C@H]3C(=O)NC(=O)[C@H]3[C@H]2[C@@]2(C)/C(=N/CC3CC3)OC(=O)N2C1=O ZINC000008679844 GD Annotated Mild COC(=O)C1(C(=O)OC)CC2=C[C@H](CC2=O)Cc2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000008682167 GD Annotated Mild COC[C@H]1O[C@@H](c2c(OC)cc(OC)cc2OC)[C@H](OC)[C@@H](OC)[C@@H]1OC ZINC000008682210 GD Annotated Anodyne CCOc1ccc(C(=O)/C=C/Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 ZINC000008829032 GD Annotated Mild C=C1[C@H]2CC[C@@H]3[C@@H](OC(C)=O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000008829487 GD Annotated Mild C=C1[C@@H]2C[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@]23C[C@@](C)(O)[C@H](CC[C@H]12)[C@H]3OC(C)=O ZINC000008829488 GD Annotated Mild CN[C@@H]1C=CCOc2cc3c(c(O)c21)C(=O)c1c(cc(OC)c(O)c1CO)C3=O ZINC000085486897 GD Annotated Clean in-vitro biogenic C[C@@H]1N[C@H](C[C@H](CC=O)[C@H](O)CCCCCC[C@@H](O)CC(=O)O)CC[C@H]1O ZINC000085488256 GD Annotated Mild in-vitro biogenic C[C@@H]1N[C@H](CC[C@H](O)CCC[C@H](CO)CC[C@@H](O)CC(=O)O)CC[C@H]1O ZINC000085488278 GD Annotated Anodyne in-vitro biogenic CNC[C@@](O)(CCCCCC[C@H](O)CC[C@@H]1CC[C@@H](O)[C@H](C)N1)CC(=O)O ZINC000085488282 GD Annotated Anodyne in-vitro biogenic CC[C@]12C=CCN3CC[C@@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32 ZINC000085490105 GD Annotated Anodyne in-vitro biogenic CC[C@]12C=CCN3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32 ZINC000085490111 GD Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN5CC[C@@]26[C@@H]1[C@H]3[C@H]4C[C@]56O ZINC000085508560 GD Annotated Anodyne in-vitro biogenic COc1ccc2c(c1O)N1C(=O)CC=C3[C@H]4C[C@@H]5N(CC[C@]25[C@@H]31)C/C4=C\CO ZINC000085508683 GD Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@@H](OC(C)=O)[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5)[C@]3(C2)[C@@H]1O ZINC000085509454 GD Annotated Mild in-vitro biogenic CO[C@H](CO)CCc1ccc(C[C@H]2C=C(C)[C@@H](O)C[C@@H]2[C@@](C)(O)CO)cc1 ZINC000085510770 GD Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN(C)CC[C@@]25C(=O)C[C@H]4[C@@H]3[C@H]15 ZINC000085529984 GD Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@@H]2O[C@H](OC)[C@@H]4C(C)(C)CC[C@H](O)[C@@]234)[C@@H]1O ZINC000085531847 GD Annotated Mild in-vitro biogenic COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN(C)CC[C@@]25C(=O)C[C@@H]4[C@@H]3[C@H]15 ZINC000085532628 GD Annotated Anodyne in-vitro biogenic CC[C@@H](C)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@@](O)(CO)C[C@@H](C)[C@H]2[C@@]1(C)C(=O)CCO ZINC000085547323 GD Annotated Anodyne CC[C@@H](C)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@@](O)(CO)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO ZINC000085547327 GD Annotated Anodyne CCOC[C@]1(O)C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@@]3(C)CNC(=N)NC ZINC000085548986 GD Annotated Anodyne in-vitro biogenic CC[C@@]1(O)C[C@@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000085553363 GD Annotated Clean CC(C)CC[C@@]1(O)[C@]23OC(=O)[C@@]1(O)[C@@H](C)C(=O)C2=Cc1cccc(O)c1[C@@H]3O ZINC000085553452 GD Annotated Mild COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@@]1(C)O[C@H](C(=O)O)C[C@@H]3O1 ZINC000085556283 GD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)C=C(C)[C@]1(OO)CC=C(C)[C@H]21 ZINC000085582742 GD Annotated Reactive in-vitro biogenic C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)CC(=C)[C@]1(OO)CC=C(C)[C@H]21 ZINC000085582756 GD Annotated Reactive in-vitro biogenic O=S(=O)(O)O[C@H]1Cc2cc(O)cc(O)c2O[C@H]1c1cc(O)c(O)c(O)c1 ZINC000085588710 GD Annotated Clean in-man endogenous O=C(O)CCC[C@@H](O)/C=C\C=C\CC[C@@H](O)C/C=C\CCCCC(O)(O)O ZINC000085588764 GD Annotated Anodyne in-man endogenous O=C(O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC(O)(O)O ZINC000085589093 GD Annotated Anodyne in-man endogenous CC(C)=C(CO)C[C@@]12O[C@]1(C(=O)OCCCCO)C(=O)c1ccccc1C2=O ZINC000085592756 GD Annotated Clean in-vitro biogenic C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/[C@H](O)[C@H](C)[C@H](O)C[C@H](O)Cc1cc(O)cc(=O)o1 ZINC000085593751 GD Annotated Anodyne CCCOc1c2c(cc3oc(CO)c(CC=O)c(=O)c13)O[C@H](C(C)(C)O)C2 ZINC000085594493 GD Annotated Mild in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595314 GD Annotated Anodyne in-vitro biogenic CC(=O)C[C@@H]1CCC(=O)/C=C/C(=O)O[C@H](CC(C)=O)CC[C@H](O)/C=C/C(=O)O1 ZINC000085596868 GD Annotated Mild CC(=O)C[C@@H]1CC[C@H](O)/C=C/C(=O)O[C@H](CC(C)=O)CC[C@H](O)/C=C/C(=O)O1 ZINC000085596869 GD Annotated Anodyne COC(=O)/C(=C1/OC(=O)C(c2ccc(O)c(O)c2)=C1O)c1ccc(O)c(O)c1 ZINC000085637410 GD Annotated Clean C[C@H]1CC(=O)c2c(cc3c(c2O)C[C@H](OC(=O)[C@](C)(O)[C@@H](C)O)C(C)(C)O3)O1 ZINC000085643188 GD Annotated Anodyne in-vitro biogenic O=C(O)C1=C/C(=C/C=N\[C@H](Cc2cnc3[cH-]cccc2-3)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000085643547 GD Annotated Mild in-vitro biogenic COC(=O)C1=C2Nc3c(OC)cccc3[C@@]23CC[N+]2([O-])C[C@@H]([C@H](C)O)[C@@H]1C[C@@H]32 ZINC000085663269 GD Annotated Bother COC(=O)C1=C2N(C=O)c3c(OC)cccc3[C@@]23CCN2C[C@@H]([C@H](C)O)[C@@H]1C[C@H]23 ZINC000085663272 GD Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]([C@@H](O)C[C@]34C[C@H]5C[C@H](O[C@@]5(CO)[C@H]3O)[C@H]42)C1(C)C ZINC000085696728 GD Annotated Anodyne in-vitro biogenic COCC1=C2/C(=C\[C@@]3(C)CC[C@](OC)(O3)[C@@](C)(O)C[C@H]2OC(C)=O)OC1=O ZINC000085722668 GD Annotated Anodyne C[C@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085757352 GD Annotated Anodyne in-man C[C@@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085757356 GD Annotated Anodyne in-man C[C@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000085757357 GD Annotated Anodyne in-man C[C@@H]1O[C@@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCC[C@@](C)(O)[C@@H]3C2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000085757360 GD Annotated Anodyne in-man C=C1C[C@H](C[C@@](C)(O)[C@H](O)COc2ccc3ccc(=O)oc3c2O)OC1=O ZINC000085759465 GD Annotated Mild C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C=O)C[C@@H](O)C[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085799987 GD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C=O)C[C@@H](O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085799989 GD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C=O)C[C@H](O)C[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085799991 GD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C=O)C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085799993 GD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800001 GD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800002 GD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800004 GD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800006 GD Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800007 GD Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800009 GD Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800012 GD Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800013 GD Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]31C(=O)O ZINC000085800062 GD Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@](C)(C(=O)O)CCC[C@@]31C(=O)O ZINC000085800066 GD Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@@](C)(C(=O)O)CCC[C@]31C(=O)O ZINC000085800068 GD Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@H]1[C@]3(C(=O)O)CCC[C@@]1(C)C(=O)O ZINC000085800072 GD Annotated Mild in-man COC(=O)C1=C[C@H]2C[C@@H]3N(CC[C@@]34C(=O)Nc3ccc(O)cc34)C[C@H]2[C@H](C)O1 ZINC000085841489 GD Annotated Anodyne C/C=C(/C)C(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12)C(C)C ZINC000085850114 GD Annotated Bother C/C=C1\C[C@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000085856381 GD Annotated Anodyne C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)OC(C)=O)[C@@H]23 ZINC000085856427 GD Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)[C@H](O)[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000085932484 GD Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)[C@H](O)[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000085932488 GD Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)[C@H](O)[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000085932493 GD Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)[C@H](O)[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000085932498 GD Annotated Anodyne in-man C=C(C)C(=O)O[C@@H]1/C=C(\C=O)[C@@H](OCC)CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000085941995 GD Annotated Reactive COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@]1(C)O[C@H]3C[C@H](C(=O)O)O1 ZINC000086029048 GD Annotated Mild COC(=O)[C@H]1C[C@H]2O[C@](C)(Cc3c(O)c4c(c(O)c32)C(=O)C=C(OC)C4=O)O1 ZINC000086029051 GD Annotated Mild COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@@H](O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@@H]([C@]43C)[C@]2(C)C1=O ZINC000086044260 GD Annotated Mild in-man COC1=C[C@H](C)[C@H]2C[C@H]3O[C@@H](O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@@H]([C@]43C)[C@]2(C)C1=O ZINC000086044263 GD Annotated Mild in-man C=C1[C@@H]2CC(=O)O[C@@H]3C[C@@H]4[C@H](C)C=C(OC)C(=O)[C@@]4(C)[C@@H]([C@H](O)[C@@H]1O)[C@]23C ZINC000086044314 GD Annotated Mild in-man C=C1[C@@H]2CC(=O)O[C@@H]3C[C@@H]4[C@@H](C)C=C(OC)C(=O)[C@@]4(C)[C@@H]([C@H](O)[C@@H]1O)[C@]23C ZINC000086044318 GD Annotated Mild in-man C=C1[C@@H]2CC(=O)O[C@@H]3C[C@@H]4[C@H](C)C=C(OC)C(=O)[C@]4(C)[C@@H]([C@H](O)[C@@H]1O)[C@]23C ZINC000086044320 GD Annotated Mild in-man C=C1[C@@H]2CC(=O)O[C@@H]3C[C@@H]4[C@@H](C)C=C(OC)C(=O)[C@]4(C)[C@@H]([C@H](O)[C@@H]1O)[C@]23C ZINC000086044321 GD Annotated Mild in-man CC(=O)O[C@H]1c2c(ccc3c2OCO3)[C@@H](O)[C@]12NCCc1cc3c(cc12)OCO3 ZINC000086050581 GD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12 ZINC000087528745 GD Annotated Bother in-vitro NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(NN=C2C=CC(=O)C=C2)c1=O ZINC000087705948 GD Annotated Mild aggregator CC(=O)OCc1[nH]c(=O)c(O)c2c1C(=O)N(Cc1ccc(F)c(Cl)c1)C2=O ZINC000087723504 GD Annotated Anodyne NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000089853279 GD Annotated Anodyne NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000089853281 GD Annotated Anodyne NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000089853283 GD Annotated Anodyne NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000089853286 GD Annotated Anodyne Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCN(C)CC4)nn23)nc1 ZINC000009118888 GD Annotated Anodyne CCc1nnc(Cn2nnc3c(O)nc(C(=O)Nc4ccc(C)cc4)nc32)s1 ZINC000009546423 GD Annotated Anodyne COC(=O)C1=C(NC(=O)NC(=O)N(c2ccccc2)S(C)(=O)=O)CCS1 ZINC000009546603 GD Annotated Anodyne Nc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000009988603 GD Annotated Bother C=C1C(=O)O[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@@](O)(C(=O)/C=C/C)[C@@H](C)[C@@H]3O[C@@H]3[C@@H]12 ZINC000095099474 GD Annotated Mild in-vitro biogenic C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)/C(C)=C\C ZINC000095099499 GD Annotated Mild in-vitro biogenic COC(=O)Cn1c(O)c(/N=N\C(=O)CNC(=O)c2ccncc2)c2ccccc21 ZINC000095545670 GD Annotated Clean COC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)c2ccncc2)c2ccccc21 ZINC000095545671 GD Annotated Clean CN(C)C(=O)CN1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000095549189 GD Annotated Anodyne CCN(CC)CC(=O)NCc1cn(-c2cc(OC)c(OC)c(OC)c2)nn1 ZINC000095552272 GD Annotated Anodyne N[C@@](CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F ZINC000095552461 GD Annotated Bother N[C@](CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F ZINC000095552462 GD Annotated Bother COC1=C2CN(C)CC[C@]34C(=O)C[C@@H]2[C@H]2[C@H](CC(=O)N(c5ccccc53)[C@@H]24)OC1 ZINC000095552818 GD Annotated Anodyne COc1cccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)on2)c1F ZINC000095553257 GD Annotated Bother C[C@@](CCn1cc(-c2ccc(Cl)c(F)c2)nn1)(C(=O)NO)S(C)(=O)=O ZINC000095554370 GD Annotated Bother O=C(O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1 ZINC000095554782 GD Annotated Anodyne Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cncn4C)cn23)n1 ZINC000095554908 GD Annotated Anodyne COc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)on2)c(F)c1 ZINC000095555359 GD Annotated Bother COc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)no2)c(F)c1 ZINC000095555683 GD Annotated Bother CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000095555866 GD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000095555867 GD Annotated Anodyne NCCC[C@@](NC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F ZINC000095556076 GD Annotated Bother NCCC[C@](NC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F ZINC000095556077 GD Annotated Bother C[C@@](CCn1cc(-c2ccc(Cl)cc2F)nn1)(C(=O)NO)S(C)(=O)=O ZINC000095556748 GD Annotated Bother COc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1-c1cnn(C)c1 ZINC000095558393 GD Annotated Mild CS(=O)(=O)CC[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1 ZINC000095558465 GD Annotated Mild COC(=O)[C@@]1(O)C(c2ccc(O)cc2)=C(O)C(=O)[C@@]1(OC)c1ccc(O)cc1 ZINC000095558940 GD Annotated Mild COC(=O)[C@@H](N)CSC(=O)CCc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC000095559129 GD Annotated Anodyne CN(Cc1cccnc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21 ZINC000095559415 GD Annotated Anodyne N#CC1(c2ccccn2)CCN(Cc2cc(C(N)=O)c(=O)n3ccccc23)CC1 ZINC000095559832 GD Annotated Mild COc1nc(-c2nn(C(C)C)cc2-c2ccnc(NC[C@H](C)O)n2)cnc1N ZINC000095559907 GD Annotated Anodyne COC(=O)c1cnc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)cc1N(C)C ZINC000095561058 GD Annotated Mild COC(=O)c1cnc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)cc1SC ZINC000095561280 GD Annotated Mild Nc1nc2cc(-c3cncc(S(=O)(=O)NCc4ccccc4)c3)ccn2n1 ZINC000095562344 GD Annotated Anodyne COc1cc2c(cc1OCC(=O)OCCCCO[N+](=O)[O-])CO[C@H](C)C2=O ZINC000095562690 GD Annotated Anodyne COc1cc2c(cc1OCC(=O)OCCCCO[N+](=O)[O-])CO[C@@H](C)C2=O ZINC000095562691 GD Annotated Anodyne COc1cc2c(cc1OCC(=O)OCCCCO[N+](=O)[O-])C(=O)[C@@H](C)OC2 ZINC000095562725 GD Annotated Anodyne COc1cc2c(cc1OCC(=O)OCCCCO[N+](=O)[O-])C(=O)[C@H](C)OC2 ZINC000095562726 GD Annotated Anodyne COC(=O)[C@]1(O)C(c2ccc(O)cc2)=C(O)C(=O)[C@]1(OC)c1ccc(O)cc1 ZINC000095562937 GD Annotated Mild COc1ccc2c(c1OCC(=O)OCCCCO[N+](=O)[O-])CO[C@H](C)C2=O ZINC000095563712 GD Annotated Anodyne COc1ccc2c(c1OCC(=O)OCCCCO[N+](=O)[O-])CO[C@@H](C)C2=O ZINC000095563713 GD Annotated Anodyne Cc1ccc2c(c1)O[C@H]1[C@@H](NC(=O)CCN3CCN(C)CC3)C(=O)CC[C@]21C ZINC000095564628 GD Annotated Anodyne Cc1ccc2c(c1)O[C@@H]1[C@@H](NC(=O)CCN3CCN(C)CC3)C(=O)CC[C@]21C ZINC000095564629 GD Annotated Anodyne Cc1ccc2c(c1)O[C@@H]1[C@@H](NC(=O)CCN3CCN(C)CC3)C(=O)CC[C@@]21C ZINC000095564630 GD Annotated Anodyne CN1CCN(c2cccc3c2S(=O)(=O)N[C@@H](Cc2ccccc2)CO3)CC1 ZINC000095567126 GD Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1 ZINC000095567532 GD Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cccc(N3CCC[C@H]3CO)c21 ZINC000095567627 GD Annotated Anodyne CCOC(=O)CNC(=O)N1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1 ZINC000095568165 GD Annotated Clean O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(N3CCC[C@@H]3CO)ccc21 ZINC000095568406 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095568411 GD Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1 ZINC000095568819 GD Annotated Anodyne CN1CCN(c2ccc3c(c2)OC[C@@H](Cc2ccccc2)NS3(=O)=O)CC1 ZINC000095569836 GD Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1CCCN1CCOCC1 ZINC000095570887 GD Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1CCCN1CCOCC1 ZINC000095570888 GD Annotated Anodyne CN1CCN(c2ccc3c(c2)OC[C@H](Cc2ccccc2)NS3(=O)=O)CC1 ZINC000095571421 GD Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccco2)C1=O ZINC000095571448 GD Annotated Mild N=C1N[C@H]2[C@@H](/N=N/c3ccc(Br)cc3)C(=N)NN2c2[nH]nc(N)c21 ZINC000095571852 GD Annotated Clean O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC2COC2)nc1C1CC1 ZINC000095573939 GD Annotated Anodyne COc1ncc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)c(OC)n1 ZINC000095577839 GD Annotated Anodyne CS(=O)(=O)N1CCc2cc(S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 ZINC000095580304 GD Annotated Anodyne CN(C)c1ccc([C@H]2NC(=O)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095580732 GD Annotated Clean CN(C)c1ccc([C@@H]2NC(=O)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095580733 GD Annotated Clean CN(C)c1ccc([C@H]2NC(=O)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095580734 GD Annotated Clean CN(C)c1ccc([C@@H]2NC(=O)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095580735 GD Annotated Clean CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000095581213 GD Annotated Bother O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3O)[C@@H]12 ZINC000095581389 GD Annotated Clean O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3O)[C@@H]12 ZINC000095581390 GD Annotated Clean O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3O)[C@H]12 ZINC000095581391 GD Annotated Clean O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3O)[C@H]12 ZINC000095581392 GD Annotated Clean COc1ccc([C@H]2NC(=S)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581443 GD Annotated Anodyne COc1ccc([C@@H]2NC(=S)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581444 GD Annotated Anodyne COc1ccc([C@H]2NC(=S)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581445 GD Annotated Anodyne COc1ccc([C@@H]2NC(=S)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581446 GD Annotated Anodyne O=C1OCCN1c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095582055 GD Annotated Anodyne CN1C[C@H](c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)OC1=O ZINC000095582116 GD Annotated Anodyne CN1C[C@@H](c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)OC1=O ZINC000095582117 GD Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000095582321 GD Annotated Bother O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000095582322 GD Annotated Bother O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000095582323 GD Annotated Bother O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000095582324 GD Annotated Bother O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000095582485 GD Annotated Bother O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000095582486 GD Annotated Bother O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000095582487 GD Annotated Bother O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000095582488 GD Annotated Bother O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc(Cn5cncn5)nc4)ccc3N12 ZINC000095583468 GD Annotated Anodyne COc1cc([C@H]2NC(=O)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)ccc1O ZINC000095583535 GD Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)ccc1O ZINC000095583536 GD Annotated Anodyne COc1cc([C@H]2NC(=O)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)ccc1O ZINC000095583537 GD Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)ccc1O ZINC000095583538 GD Annotated Anodyne N#CC1(O)CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000095583868 GD Annotated Reactive O=C1COCCN1c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095584468 GD Annotated Anodyne CN1CCN(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)C1=O ZINC000095584469 GD Annotated Anodyne CN1CCN(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)CC1 ZINC000095584757 GD Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc(F)cc3)[C@@H]12 ZINC000095584763 GD Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc(F)cc3)[C@@H]12 ZINC000095584764 GD Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc(F)cc3)[C@H]12 ZINC000095584765 GD Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc(F)cc3)[C@H]12 ZINC000095584766 GD Annotated Anodyne Cn1nnc(-c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)n1 ZINC000095584841 GD Annotated Anodyne O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc(N5CCC(O)CC5)nc4)ccc3N12 ZINC000095585302 GD Annotated Anodyne CN1c2ccc(-c3ccc(C(=O)NCCO)cc3)cc2-c2[nH]ncc2S1(=O)=O ZINC000095586671 GD Annotated Anodyne C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@@](CC(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](O)[C@]43C)(C2)[C@@H]1O ZINC000095587755 GD Annotated Mild COc1cc(C(=O)OC2CCC(NC(=N)NCCS)CC2)cc(OC)c1O ZINC000095588710 GD Annotated Mild CN(C)CCn1nc2c3c(c(NCCN4CC4)ccc31)C(=O)c1ccncc1-2 ZINC000095589655 GD Annotated Clean CN[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)C/C1=N\OC ZINC000095590426 GD Annotated Mild CN[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)C/C1=N\OC ZINC000095590427 GD Annotated Mild C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]2[C@@H](O)[C@H](O)[C@@H]1C3 ZINC000095590482 GD Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@@](CC(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@]43C)(C2)[C@@H]1O ZINC000095591122 GD Annotated Mild C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](O)[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1C3 ZINC000095591207 GD Annotated Mild COC(=O)c1nc(Cn2c(=O)n(C3CC3)c3ccncc32)n(CCCCO)c1C ZINC000095592243 GD Annotated Anodyne O=C(CNS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F)NO ZINC000095592547 GD Annotated Bother C=C1[C@@H]2CC(=O)[C@@H]3[C@@](CC(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@]43C)(C2)[C@@H]1O ZINC000095592661 GD Annotated Mild O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(Cl)ncnc12 ZINC000095594444 GD Annotated Anodyne COc1ccnc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000095594543 GD Annotated Anodyne Cc1c(CCOCc2cn(CCc3sc[n+](C)c3C)nn2)sc[n+]1C ZINC000095595644 GD Annotated Anodyne COc1ncnc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000095597433 GD Annotated Anodyne CC(C)NC[C@H](O)CN1C(=O)N/C(=C\c2ccc(Br)cc2)C1=O ZINC000095597491 GD Annotated Anodyne CC(C)NC[C@@H](O)CN1C(=O)N/C(=C\c2ccc(Br)cc2)C1=O ZINC000095597492 GD Annotated Anodyne COc1cc(C(=O)O[C@H](C)[C@H]2C(=O)N(SC)[C@@H]2OC(C)=O)cc(OC)c1O ZINC000095597956 GD Annotated Anodyne CCCN(CCn1nnc(C(=O)O)c1C(=O)O)S(=O)(=O)c1ccc(C)cc1 ZINC000095598222 GD Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(N3CCC[C@@H]3CO)ccc21 ZINC000095600352 GD Annotated Anodyne Cc1ccc(Cn2cc(CN3C[C@H](N4CCCC4)CS3(=O)=O)nn2)cc1 ZINC000095600364 GD Annotated Anodyne Cc1ccc(Cn2cc(CN3C[C@@H](N4CCCC4)CS3(=O)=O)nn2)cc1 ZINC000095600365 GD Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(N3CCC[C@H]3CO)ccc21 ZINC000095601255 GD Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095601346 GD Annotated Anodyne Cc1ccc(N2CCN([C@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)cc1 ZINC000095602003 GD Annotated Anodyne Cc1ccc(N2CCN([C@@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)cc1 ZINC000095602004 GD Annotated Anodyne CN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)S(C)(=O)=O ZINC000095602675 GD Annotated Anodyne CN(C)/C=N/C(=O)c1cnn2c1n[n+]([O-])c1ccc(OCc3ccccc3)cc12 ZINC000095603315 GD Annotated Mild CN(C)/C=N/C(=O)c1cnn2c1n[n+]([O-])c1ccc(OCc3cccs3)cc12 ZINC000095603907 GD Annotated Mild Cc1noc(-c2cnn3c2n[n+]([O-])c2ccc(OCc4ccncc4)cc23)n1 ZINC000095603954 GD Annotated Anodyne CN(C)/C=N/C(=O)c1cnn2c1n[n+]([O-])c1ccc(OCc3ccncc3)cc12 ZINC000095604431 GD Annotated Mild O=S1(=O)N[C@H](Cc2ccccc2)COc2cccc(N3CCC[C@@H]3CO)c21 ZINC000095604847 GD Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(N3CCC[C@H]3CO)ccc21 ZINC000095604855 GD Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cccc(N3CCC[C@H]3CO)c21 ZINC000095605195 GD Annotated Anodyne CC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCOCC2)CC(=O)N3)cn1 ZINC000095605274 GD Annotated Anodyne CN(C[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)S(C)(=O)=O ZINC000095605762 GD Annotated Anodyne CSCCCCCCCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095636036 GD Annotated Mild in-vitro CSCCCCCCC/C(=N\O)S[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO ZINC000095636100 GD Annotated Mild in-vitro CSCCCCCCC/C(=N\O)S[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO ZINC000095636101 GD Annotated Mild in-vitro C[C@@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095660922 GD Annotated Clean CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095660980 GD Annotated Mild CC(=O)Nc1cccc2c1O[C@@H](CN(C)S(C)(=O)=O)[C@@H](C)CN(C)C2=O ZINC000095661016 GD Annotated Anodyne CC(=O)Nc1cccc2c1O[C@H](CN(C)S(C)(=O)=O)[C@@H](C)CN(C)C2=O ZINC000095661033 GD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2ccncc2)C1 ZINC000095661383 GD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095661434 GD Annotated Mild CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CNC(=O)C1CC1 ZINC000095661645 GD Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095661694 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccc(OC)c1)C2 ZINC000095661997 GD Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C)S(C)(=O)=O)cc1 ZINC000095662192 GD Annotated Mild C[C@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095662600 GD Annotated Clean CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(C)(=O)=O)C[C@H]23)cc1 ZINC000095662714 GD Annotated Mild O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095662729 GD Annotated Anodyne CCCNC(=O)N1CC2(CN(C)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095662764 GD Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1ccncc1 ZINC000095662779 GD Annotated Anodyne CC(=O)Nc1cccc2c1O[C@@H](CN(C)S(C)(=O)=O)[C@H](C)CN(C)C2=O ZINC000095662865 GD Annotated Anodyne CCCC(=O)N1CC2(CN(C(C)=O)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095662969 GD Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)C1CCCC1)C2 ZINC000095663226 GD Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(S(C)(=O)=O)CC(=O)N3[C@H]2CO)cc1 ZINC000095663324 GD Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(C)(=O)=O)C[C@H]23)cc1 ZINC000095663407 GD Annotated Mild C[C@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)S(C)(=O)=O ZINC000095663575 GD Annotated Clean CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095663597 GD Annotated Mild CNC[C@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095663737 GD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H]2CO ZINC000095663955 GD Annotated Mild C[C@@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)S(C)(=O)=O ZINC000095664028 GD Annotated Clean CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095664055 GD Annotated Mild CCCC(=O)N1CC2(CN(C(C)=O)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095664063 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(C(=O)c2cccnc2)C1 ZINC000095664166 GD Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095664183 GD Annotated Mild CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1C ZINC000095664279 GD Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095664304 GD Annotated Mild CCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cccnc1)C2 ZINC000095664308 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCOCC1)CC31CN(C)C1 ZINC000095664326 GD Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(S(C)(=O)=O)CC(=O)N3[C@H]2CO)cc1 ZINC000095664608 GD Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095664934 GD Annotated Mild CC(=O)Nc1cccc2c1O[C@H](CN(C)S(C)(=O)=O)[C@H](C)CN(C)C2=O ZINC000095665150 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC ZINC000095665376 GD Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccccn1)C2 ZINC000095666827 GD Annotated Anodyne CCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CN(C)C ZINC000095666886 GD Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccn1)C2 ZINC000095666958 GD Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccccn1)C2 ZINC000095666962 GD Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CN(C)C ZINC000095667013 GD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095667032 GD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095667034 GD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095667036 GD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095667045 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(S(=O)(=O)c1ccccc1)C2 ZINC000095667097 GD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095667150 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C)S(=O)(=O)CC)cc1 ZINC000095667200 GD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095667273 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN(CC1CC1)S(C)(=O)=O ZINC000095667388 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@H]1CNC(=O)C1CC1 ZINC000095667460 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@@H]2CNC(=O)CN(C)C)cc1 ZINC000095667476 GD Annotated Anodyne CCS(=O)(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)Cc1ccccn1 ZINC000095667489 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)c2cnccn2)C3)cc1 ZINC000095667568 GD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CCCC1)C2 ZINC000095667602 GD Annotated Anodyne CCC(=O)N(CC(C)C)C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O ZINC000095667606 GD Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N[C@H]3CN(C)S(C)(=O)=O)cc2)cc1 ZINC000095667622 GD Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095667647 GD Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095667650 GD Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095667652 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)C23CN(C(=O)c2cnccn2)C3)cc1 ZINC000095667656 GD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095667658 GD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095667663 GD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095667668 GD Annotated Anodyne C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cn(C)cn1)[C@H](CO)N2 ZINC000095667672 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095667678 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095667718 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]1CNC(C)=O ZINC000095667746 GD Annotated Mild COCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095667773 GD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095667811 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@@H]2CNC(=O)CN(C)C)cc1 ZINC000095667815 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)NC1CCCC1)C2 ZINC000095667933 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095667958 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095667963 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095667965 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095667969 GD Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)COC)C(=O)NC(C)C ZINC000095667978 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)COC)[C@@H]2CNC(=O)C2CCC2)cc1 ZINC000095667999 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)COC)[C@H]2CNC(=O)C2CCC2)cc1 ZINC000095668048 GD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095668134 GD Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095668136 GD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095668141 GD Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095668164 GD Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095668168 GD Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095668170 GD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095668178 GD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(F)cc1 ZINC000095668182 GD Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccn1)C2 ZINC000095668290 GD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095668358 GD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095668504 GD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)NC[C@H]1C ZINC000095668605 GD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095668613 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095668637 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@H](CO)N2C(C)=O ZINC000095668641 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095668646 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@H](CO)N2C(C)=O ZINC000095668650 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cncnc3)cc2)[C@@H]1CN(C)C(=O)C1CC1 ZINC000095668701 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(CC1CCC1)S(C)(=O)=O ZINC000095668714 GD Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CNC[C@@H]34)cc2)c1 ZINC000095668759 GD Annotated Anodyne CCCNC(=O)O[C@@H](CN1CCN(c2ccccc2)CC1)CN1CCCC1=O ZINC000095670214 GD Annotated Anodyne CCCNC(=O)O[C@H](CN1CCN(c2ccccc2)CC1)CN1CCCC1=O ZINC000095670215 GD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCc2ccccc2)O[C@H]1CO ZINC000095675164 GD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CC(=O)NCCc2ccccc2)O[C@@H]1CO ZINC000095675165 GD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CC(=O)NCCc2ccccc2)O[C@H]1CO ZINC000095675166 GD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CC(=O)NCCc2ccccc2)O[C@@H]1CO ZINC000095675167 GD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CC(=O)NCCc2ccccc2)O[C@H]1CO ZINC000095675168 GD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CC(=O)NCCc2ccccc2)O[C@@H]1CO ZINC000095675169 GD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CC(=O)NCCc2ccccc2)O[C@H]1CO ZINC000095675170 GD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCc2ccccc2)O[C@@H]1CO ZINC000095675171 GD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095675364 GD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095675365 GD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095675366 GD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095675367 GD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095675368 GD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095675369 GD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095675370 GD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095675371 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675806 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095675807 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675808 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095675809 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675810 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095675811 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675812 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095675813 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CC1 ZINC000095676671 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CC1 ZINC000095676674 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CC1 ZINC000095676676 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CC1 ZINC000095676678 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CC1 ZINC000095676680 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CC1 ZINC000095676681 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CC1 ZINC000095676683 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CC1 ZINC000095676685 GD Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095676754 GD Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095676757 GD Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095676758 GD Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095676759 GD Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095676762 GD Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095676764 GD Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095676766 GD Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095676768 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095677124 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095677125 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095677126 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095677127 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095677128 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095677129 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095677130 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095677131 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095677223 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095677224 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095677225 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095677226 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095677227 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095677228 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095677229 GD Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCc2ccccc2)O[C@H]1CO ZINC000095677774 GD Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@H](CC(=O)NCCc2ccccc2)O[C@@H]1CO ZINC000095677775 GD Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCc2ccccc2)O[C@H]1CO ZINC000095677777 GD Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCc2ccccc2)O[C@@H]1CO ZINC000095677779 GD Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCc2ccccc2)O[C@H]1CO ZINC000095677780 GD Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCc2ccccc2)O[C@@H]1CO ZINC000095677782 GD Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@H](CC(=O)NCCc2ccccc2)O[C@H]1CO ZINC000095677784 GD Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCc2ccccc2)O[C@@H]1CO ZINC000095677785 GD Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO ZINC000095678014 GD Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO ZINC000095678015 GD Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO ZINC000095678016 GD Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO ZINC000095678017 GD Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO ZINC000095678020 GD Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO ZINC000095678022 GD Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO ZINC000095678024 GD Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO ZINC000095678025 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688603 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688604 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688605 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688606 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688607 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688608 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688609 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO2 ZINC000095690266 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO2 ZINC000095690268 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO2 ZINC000095690270 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO2 ZINC000095690272 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO2 ZINC000095690274 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO2 ZINC000095690276 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO2 ZINC000095690278 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@H](C)CO2 ZINC000095690280 GD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095690961 GD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095690994 GD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)NC[C@H]1C ZINC000095691390 GD Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)OCc2cn(nn2)CCCC1=O ZINC000095694003 GD Annotated Anodyne CCCN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095694021 GD Annotated Anodyne CCCN(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095694023 GD Annotated Anodyne CCCN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699148 GD Annotated Anodyne CCCN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699169 GD Annotated Anodyne CNC[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700614 GD Annotated Mild CNC[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095700615 GD Annotated Mild CNC[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095700616 GD Annotated Mild CNC[C@@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095700617 GD Annotated Mild CNC[C@H]1Oc2cc(C#CC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095700618 GD Annotated Mild COc1cc(CCC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(OC)c1O ZINC000095703842 GD Annotated Anodyne CNC[C@@H]1Oc2ncc(C#Cc3ccncc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095728948 GD Annotated Mild CC(C)(C)OC(=O)N1CCN(CCC(=O)O)C[C@@H]1CC1=c2ccccc2=NC1 ZINC000095760836 GD Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CCC(=O)O)C[C@H]1CC1=c2ccccc2=NC1 ZINC000095760837 GD Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CCC(=O)O)[C@H](CC2=c3ccccc3=NC2)C1 ZINC000095760840 GD Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CCC(=O)O)[C@@H](CC2=c3ccccc3=NC2)C1 ZINC000095760841 GD Annotated Anodyne CCCN(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095772588 GD Annotated Anodyne CCCN(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095775380 GD Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1C[C@@H]2C(=O)NCC(=O)N2[C@@H]1c1ccc(O)cc1 ZINC000095784421 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(C(=O)c2ccccn2)C1 ZINC000095793631 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CN(C)C1 ZINC000095793852 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CN(C(=O)c2ccccn2)C1 ZINC000095793883 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1OC ZINC000095793886 GD Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095793889 GD Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CCCC1)C2 ZINC000095793890 GD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)C1CCCC1)C2 ZINC000095793892 GD Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095793897 GD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095793903 GD Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095793906 GD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095793915 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1OC ZINC000095793951 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1OC ZINC000095793955 GD Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095793983 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(S(=O)(=O)CC)C23CN(C(C)=O)C3)cc1 ZINC000095794017 GD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095794018 GD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095794019 GD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095794020 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F ZINC000095794061 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095794063 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095794065 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)C12CN(C(C)=O)C2 ZINC000095794075 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)C12CN(C(C)=O)C2 ZINC000095794077 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)C12CN(C(C)=O)C2 ZINC000095794079 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)C12CN(C(C)=O)C2 ZINC000095794081 GD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095794091 GD Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095794092 GD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095794094 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000095794173 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000095794177 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000095794179 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000095794181 GD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095794195 GD Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095794222 GD Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095794224 GD Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095794233 GD Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095794235 GD Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095794278 GD Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095794280 GD Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095794306 GD Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095794309 GD Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095794311 GD Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095794313 GD Annotated Anodyne COCC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C(C)C ZINC000095794347 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)S(C)(=O)=O)cc1 ZINC000095794351 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095794355 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095794357 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095794358 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095794359 GD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095794377 GD Annotated Anodyne CN(C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CC1)C(=O)c1ccncc1 ZINC000095794390 GD Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CN(C)C ZINC000095794436 GD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095794473 GD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095794480 GD Annotated Anodyne CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CN(C)C ZINC000095794537 GD Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095794558 GD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095794578 GD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095794580 GD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095794657 GD Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cnccn1 ZINC000095794673 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(S(=O)(=O)CC)C23CN(C(=O)CC)C3)cc1 ZINC000095794687 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(S(=O)(=O)CC)C23CN(C(=O)CC)C3)cc1 ZINC000095794691 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794693 GD Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F ZINC000095794695 GD Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cnccn1 ZINC000095794727 GD Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cnccn1 ZINC000095794728 GD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cccnc1)C2 ZINC000095794783 GD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cccnc1)C2 ZINC000095794784 GD Annotated Anodyne CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cccnc1)C2 ZINC000095794785 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794788 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cccc(F)c1)C2 ZINC000095794804 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cccc(F)c1)C2 ZINC000095794805 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cccc(F)c1)C2 ZINC000095794808 GD Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2 ZINC000095794825 GD Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095794837 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CC3)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794840 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCC2)O1)NCC1CC1 ZINC000095794841 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CC3)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794842 GD Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCC1 ZINC000095794857 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095794874 GD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095794876 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095794878 GD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095794896 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095794908 GD Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095794927 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095794947 GD Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095794968 GD Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095794969 GD Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095794970 GD Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095794971 GD Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095794972 GD Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095794973 GD Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095794974 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)c4ccncc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095794986 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)c4ccncc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795086 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095795087 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795088 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795090 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795092 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095795094 GD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095795398 GD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095795399 GD Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095795428 GD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095795429 GD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095795430 GD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095795431 GD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095795432 GD Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095795433 GD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795434 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095795435 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095795466 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795467 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795469 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CC2)C3)cc1 ZINC000095795518 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)c4cnccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795720 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)c4cnccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795721 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cnccn4)C[C@@H]23)cc1 ZINC000095795722 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cnccn4)C[C@@H]23)cc1 ZINC000095795723 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cnccn4)C[C@H]23)cc1 ZINC000095795724 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cnccn4)C[C@@H]23)cc1 ZINC000095795725 GD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2ccncc2)C1 ZINC000095796123 GD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CC1CCOCC1)C2 ZINC000095796283 GD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095796348 GD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095796349 GD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095796350 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(C)=O)CC1 ZINC000095796354 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(C)=O)CC1 ZINC000095796355 GD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cncnc1 ZINC000095796399 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)C23CN(C(=O)CC)C3)cc1 ZINC000095796440 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(S(C)(=O)=O)C23CN(C(=O)CC)C3)cc1 ZINC000095796442 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(S(C)(=O)=O)C23CN(C(=O)CC)C3)cc1 ZINC000095796443 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095796488 GD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(CC2CCOCC2)C1 ZINC000095796543 GD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(CC2CCOCC2)C1 ZINC000095796544 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095796549 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095796550 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(C)=O)C3)cc1 ZINC000095796563 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)c3cnccn3)C23CN(C(C)=O)C3)cc1 ZINC000095796564 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(C)=O)C3)cc1 ZINC000095796565 GD Annotated Anodyne CCS(=O)(=O)N1CC2(CN(C)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095796573 GD Annotated Anodyne CCS(=O)(=O)N1CC2(CN(C)[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095796574 GD Annotated Anodyne O=C(C1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095796598 GD Annotated Anodyne O=C(C1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095796599 GD Annotated Anodyne O=C(C1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095796600 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(S(=O)(=O)c1ccccc1)C2 ZINC000095796614 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(S(=O)(=O)c1ccccc1)C2 ZINC000095796615 GD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095796639 GD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F ZINC000095796640 GD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095796641 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)NC1CCCC1 ZINC000095796672 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)NC1CCCC1 ZINC000095796741 GD Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)NC1CCCC1 ZINC000095796743 GD Annotated Anodyne OC[C@@H]1[C@@H](c2ccccc2)C2(CN(CC3CCOCC3)C2)N1Cc1cncnc1 ZINC000095796805 GD Annotated Anodyne CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]21 ZINC000095796889 GD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095796994 GD Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095797009 GD Annotated Anodyne COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797034 GD Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095797062 GD Annotated Mild CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095797068 GD Annotated Anodyne COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095797112 GD Annotated Mild O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095797142 GD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCC2)O1)NCC1CC1 ZINC000095797217 GD Annotated Anodyne COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797258 GD Annotated Mild O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCC2)O1)NCC1CC1 ZINC000095797284 GD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCC2)O1)NCC1CC1 ZINC000095797344 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095797366 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095797367 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797368 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095797369 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095797370 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095797424 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095797425 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095797426 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797449 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797450 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797451 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095797455 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095797456 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095797457 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095797458 GD Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095797459 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CC2)C3)cc1 ZINC000095797472 GD Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095797501 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095797508 GD Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cncnc1 ZINC000095797587 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCC2)O1)NCC1CC1 ZINC000095797643 GD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095797741 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095797786 GD Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095797790 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095797815 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095797816 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095797817 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095797818 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@@H]2C1 ZINC000095797859 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@H]2C1 ZINC000095797860 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3C)cc1)[C@@H]2CO ZINC000095797861 GD Annotated Anodyne CC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095798052 GD Annotated Mild CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000095798053 GD Annotated Mild CC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H]2CO ZINC000095798062 GD Annotated Mild CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000095798063 GD Annotated Mild CC1=C([C@H](O)c2ccccc2)[C@H](CO)n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000095798346 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)NC1CCCC1)C2 ZINC000095798394 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)NC1CCCC1)C2 ZINC000095798402 GD Annotated Anodyne CCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095798424 GD Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cncnc1 ZINC000095798425 GD Annotated Anodyne COCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095798457 GD Annotated Mild CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095798466 GD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)C2CC2)C1 ZINC000095798500 GD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)C2CC2)C1 ZINC000095798502 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095798520 GD Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095798523 GD Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)c1ccc(C(=O)NO)cc1 ZINC000095808402 GD Annotated Reactive Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCC(=O)NO)o2)n1C ZINC000095809395 GD Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)c1cccc(C(=O)NO)c1 ZINC000095809716 GD Annotated Reactive C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)CC1CC1 ZINC000095810139 GD Annotated Anodyne CCCN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095810141 GD Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)OCc2cnnn2CCCC1=O ZINC000095810362 GD Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)CC1CC1 ZINC000095818369 GD Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)CC1CC1 ZINC000095818376 GD Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)CC1CC1 ZINC000095818377 GD Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)CC1CC1 ZINC000095818380 GD Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)CC1CC1 ZINC000095818516 GD Annotated Anodyne CCCN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C ZINC000095818527 GD Annotated Anodyne CCCN(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095818531 GD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095833172 GD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095833576 GD Annotated Anodyne CCCN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095835128 GD Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095835283 GD Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095835884 GD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095836870 GD Annotated Anodyne CNC[C@@H]1Oc2ncc(C#Cc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095848413 GD Annotated Mild COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095864464 GD Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCC4)C[C@H]23)cc1 ZINC000095864466 GD Annotated Mild O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095864482 GD Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095864488 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095864504 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095864533 GD Annotated Mild O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCC2)O1)NCC1CC1 ZINC000095864543 GD Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2 ZINC000095864544 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(C(=O)Cc2cccnc2)C1 ZINC000095864776 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CN(C(=O)c2cccnc2)C1 ZINC000095865032 GD Annotated Anodyne CCCNC(=O)N1CC2(CN(C)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095865145 GD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(C(=O)NC(C)C)C1 ZINC000095865314 GD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(C(=O)NC(C)C)C1 ZINC000095865315 GD Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095865624 GD Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)CC)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865819 GD Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(=O)CC)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865820 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095865897 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Cc4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866165 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095866166 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095866168 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Cc4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866170 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095866256 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@H]23)cc1 ZINC000095866257 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095866436 GD Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095866466 GD Annotated Mild CCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095866492 GD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1C ZINC000095866576 GD Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095866586 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095866596 GD Annotated Mild CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1C ZINC000095866600 GD Annotated Anodyne CCCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095866605 GD Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095866656 GD Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095866661 GD Annotated Anodyne N#C[C@H]1[C@@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095866669 GD Annotated Mild CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095866675 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095866713 GD Annotated Mild O=C(NC1CCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2)c3=O)[C@@H]1CO ZINC000095866714 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095866720 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095866752 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095866759 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095866763 GD Annotated Mild CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC ZINC000095866811 GD Annotated Anodyne CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]21 ZINC000095866816 GD Annotated Anodyne COCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095866817 GD Annotated Mild CCCN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095866859 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095866872 GD Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1C ZINC000095866945 GD Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095866949 GD Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095866950 GD Annotated Anodyne N#C[C@H]1[C@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095866961 GD Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095866966 GD Annotated Mild O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095866970 GD Annotated Anodyne COCC(=O)N1CCC2(CC1)CN[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095867512 GD Annotated Anodyne COCC(=O)N1CCC2(CC1)CN[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095867513 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CN(C)C1 ZINC000095867585 GD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CN(C)C1 ZINC000095867586 GD Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)CN[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867661 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cncnc3)cc2)[C@@H]1CN(C)C(C)=O ZINC000095867994 GD Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(C)=O)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868786 GD Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(C)=O)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868787 GD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095869155 GD Annotated Mild O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)C1CC1 ZINC000095869198 GD Annotated Bother O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cncnc1 ZINC000095869204 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)NC1CCCC1)C2 ZINC000095869231 GD Annotated Anodyne CCS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CCCC1)C2 ZINC000095869236 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCC2)O1)NCC1CC1 ZINC000095869238 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCC2)O1)NCC1CC1 ZINC000095869261 GD Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095869290 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095869328 GD Annotated Anodyne COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCC4)C[C@H]23)cc1 ZINC000095869329 GD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095869334 GD Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CC2)C3)cc1 ZINC000095869395 GD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095869413 GD Annotated Anodyne CCS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CCC1)C2 ZINC000095869446 GD Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NCCC)C[C@H]23)cc1 ZINC000095869606 GD Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NCCC)C[C@@H]23)cc1 ZINC000095869607 GD Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NCCC)C[C@@H]23)cc1 ZINC000095869608 GD Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)NCCC)C[C@@H]23)cc1 ZINC000095869609 GD Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)NCCC)CC(=O)N3[C@H]2CO)cc1 ZINC000095869610 GD Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)NCCC)C[C@@H]23)cc1 ZINC000095869611 GD Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NCCC)CC(=O)N3[C@H]2CO)cc1 ZINC000095871298 GD Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@H]2CN(CC)C(C)=O)cc1 ZINC000095871662 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095871672 GD Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1cnccn1 ZINC000095871673 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095871679 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2CNC(=O)CN(C)C)cc1 ZINC000095871712 GD Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(C#C[C@H](C)O)cc2)[C@@H](CO)N1Cc1ccccn1 ZINC000095871741 GD Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095871750 GD Annotated Mild N#C[C@H]1[C@@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095871752 GD Annotated Mild CC(=O)NC[C@H]1[C@@H](c2ccc(C#C[C@@H](C)O)cc2)[C@@H](CO)N1Cc1ccccn1 ZINC000095871818 GD Annotated Mild O=C(C1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095871826 GD Annotated Anodyne CC(=O)N(C)C[C@@H]1[C@@H](c2ccc(C#Cc3ccccn3)cc2)[C@@H](CO)N1C(C)=O ZINC000095871853 GD Annotated Mild CC(=O)NC[C@H]1[C@@H](c2ccc(C#CC(C)(C)O)cc2)[C@@H](CO)N1C(=O)CC1CC1 ZINC000095871855 GD Annotated Mild CCS(=O)(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)C1CCCC1)C2 ZINC000095871903 GD Annotated Anodyne CN(C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C#CCC2CCCC2)cc1)S(C)(=O)=O ZINC000095871955 GD Annotated Mild CCS(=O)(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(C(C)=O)C1CCCC1 ZINC000095871960 GD Annotated Anodyne CCS(=O)(=O)N(C)C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C#CC2CCCC2)cc1 ZINC000095871993 GD Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CNC(=O)CN(C)C)cc1 ZINC000095872004 GD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccc(F)cc1 ZINC000095872040 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(C#CC(C)(C)O)cc2)[C@@H]1CN(C)C(C)=O ZINC000095872062 GD Annotated Mild Cc1ccc(S(=O)(=O)NNc2nc(NCC(N)=O)nc3ccccc23)cc1 ZINC000095872198 GD Annotated Anodyne CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095873222 GD Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CC4)C[C@H]23)cc1 ZINC000095873223 GD Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CC4)CCCCN3[C@H]2CO)cc1 ZINC000095873224 GD Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CC4)CCCCN3[C@H]2CO)cc1 ZINC000095873225 GD Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095873226 GD Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095873227 GD Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CC4)C[C@H]23)cc1 ZINC000095873228 GD Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095873229 GD Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)COC)C[C@@H]23)cc1 ZINC000095873587 GD Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)COC)CCCCN3[C@H]2CO)cc1 ZINC000095873588 GD Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)COC)C[C@H]23)cc1 ZINC000095873589 GD Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)COC)C[C@@H]23)cc1 ZINC000095873590 GD Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)COC)C[C@@H]23)cc1 ZINC000095873591 GD Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)COC)C[C@H]23)cc1 ZINC000095873592 GD Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)COC)C[C@@H]23)cc1 ZINC000095873593 GD Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)COC)CCCCN3[C@H]2CO)cc1 ZINC000095873594 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#C[C@H](C)O)cc3)[C@@H]2C1 ZINC000095873595 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#C[C@@H](C)O)cc1)[C@@H]2CO ZINC000095873596 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#C[C@@H](C)O)cc3)[C@@H]2C1 ZINC000095873597 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#C[C@H](C)O)cc3)[C@@H]2C1 ZINC000095873598 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#C[C@@H](C)O)cc3)[C@@H]2C1 ZINC000095873599 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#C[C@H](C)O)cc1)[C@@H]2CO ZINC000095873600 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#C[C@H](C)O)cc3)[C@@H]2C1 ZINC000095873601 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#C[C@H](C)O)cc1)[C@@H]2CO ZINC000095873602 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#C[C@@H](C)O)cc3)[C@H]2C1 ZINC000095873603 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#C[C@H](C)O)cc3)[C@H]2C1 ZINC000095873604 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#C[C@@H](C)O)cc1)[C@@H]2CO ZINC000095873605 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#C[C@@H](C)O)cc3)[C@@H]2C1 ZINC000095873606 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#C[C@H](C)O)cc3)[C@H]2C1 ZINC000095873607 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#C[C@@H](C)O)cc3)[C@H]2C1 ZINC000095873608 GD Annotated Mild CC(C)NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#C[C@@H](C)O)cc3)[C@@H]2C1 ZINC000095873609 GD Annotated Mild CN(C)CC(=O)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N(C)[C@H]2CO ZINC000095878324 GD Annotated Anodyne CN(C)CC(=O)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N(C)[C@@H]2CO ZINC000095878325 GD Annotated Anodyne CN(C)CC(=O)N1CC[C@H]2[C@@H]1c1cc(Br)ccc1N(C)[C@H]2CO ZINC000095878326 GD Annotated Anodyne CN(C)CC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(Br)cc3[C@@H]21 ZINC000095878327 GD Annotated Anodyne O=C(NC1CCC1)[C@H]1N[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095878933 GD Annotated Anodyne O=C(NC1CCC1)[C@@H]1N[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095878934 GD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095878964 GD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CC1 ZINC000095878965 GD Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCCC2)c3=O)[C@@H]1CO ZINC000095878968 GD Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2 ZINC000095878969 GD Annotated Anodyne CCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095878982 GD Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095878983 GD Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2)N1CCCCC1 ZINC000095878984 GD Annotated Anodyne O=C([C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCC2)c3=O)[C@@H]1CO)N1CCCCC1 ZINC000095878985 GD Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2 ZINC000095878990 GD Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2)c3=O)[C@@H]1CO ZINC000095878991 GD Annotated Anodyne O=C(NCC1CC1)[C@@H]1N[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095879255 GD Annotated Anodyne O=C(NCC1CC1)[C@H]1N[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095879256 GD Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095879263 GD Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095879264 GD Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095879319 GD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095879320 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C)[C@@H](C(=O)NCc2ccccc2)[C@@H]1CO ZINC000095879325 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccc3)N(C)[C@@H]21 ZINC000095879326 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccccc3)[C@H]2N1C ZINC000095879327 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccc3)[C@@H]2N1C ZINC000095879328 GD Annotated Anodyne CCCN1[C@H](C(=O)NCC)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095879409 GD Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC ZINC000095879410 GD Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000095879549 GD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC ZINC000095879550 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC ZINC000095879559 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)CC ZINC000095879560 GD Annotated Anodyne CCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@@H]21 ZINC000095879561 GD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095879562 GD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095879579 GD Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095879580 GD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095879583 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2CC ZINC000095879584 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2CC ZINC000095879585 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1CC ZINC000095879596 GD Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1CC ZINC000095879597 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1C ZINC000095879602 GD Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1C ZINC000095879603 GD Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1C ZINC000095879646 GD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1C ZINC000095879647 GD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2C ZINC000095879652 GD Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C ZINC000095879653 GD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(C)=O ZINC000095879696 GD Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(C)=O ZINC000095879697 GD Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC ZINC000095879755 GD Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000095879756 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2C ZINC000095880495 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C ZINC000095880496 GD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095880558 GD Annotated Anodyne CCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095880559 GD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C ZINC000095880617 GD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C ZINC000095880618 GD Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095880675 GD Annotated Anodyne CC(=O)N1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095880676 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC2CC2)[C@@H](C(=O)N(C)C)[C@@H]1CO ZINC000095880679 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)N(C(=O)CC3CC3)[C@@H]21 ZINC000095880680 GD Annotated Anodyne CCNC(=O)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(/C=C/c2ccccc2)c3=O)[C@@H]1CO ZINC000095880681 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2 ZINC000095880682 GD Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccc(F)cc2)c3=O)[C@@H]1CO ZINC000095880815 GD Annotated Anodyne O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2 ZINC000095880816 GD Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1CC1CC1 ZINC000095880865 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1CC1CC1 ZINC000095880866 GD Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095880889 GD Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095880890 GD Annotated Anodyne CCCNC(=O)[C@H]1N[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095880958 GD Annotated Anodyne CCCNC(=O)[C@@H]1N[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095880959 GD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095881055 GD Annotated Anodyne CCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095881056 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccc3F)N[C@@H]21 ZINC000095881146 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N[C@@H](C(=O)NCc2ccccc2F)[C@@H]1CO ZINC000095881147 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1N[C@H]2[C@H](C(=O)NCCc2ccccc2)[C@H]1CO ZINC000095881174 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1N[C@@H]2[C@@H](C(=O)NCCc2ccccc2)[C@@H]1CO ZINC000095881175 GD Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2 ZINC000095881237 GD Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccc(F)cc2)c3=O)[C@@H]1CO ZINC000095881238 GD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC ZINC000095881328 GD Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000095881329 GD Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)CC1CC1)N1CCCCC1 ZINC000095881407 GD Annotated Anodyne O=C([C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1)N1CCCCC1 ZINC000095881408 GD Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]2N1C ZINC000095881409 GD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@H]2N1C ZINC000095881410 GD Annotated Anodyne O=C(NCC1CC1)[C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095881441 GD Annotated Anodyne O=C(NCC1CC1)[C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095881442 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccn3)[C@@H]2N1C ZINC000095881551 GD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccccn3)[C@H]2N1C ZINC000095881552 GD Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2)N1CCCCC1 ZINC000095881841 GD Annotated Anodyne O=C([C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2)c3=O)[C@@H]1CO)N1CCCCC1 ZINC000095881842 GD Annotated Anodyne CN1CC[C@@]23C(=O)C[C@]4(O)C(=CCO[C@H]5CC(=O)N(c6ccccc62)[C@H]3[C@@H]54)C1 ZINC000095884479 GD Annotated Anodyne CN1CC[C@@]23C(=O)C[C@]4(O)C(=CCO[C@H]5CC(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 ZINC000095884480 GD Annotated Anodyne CN1CC[C@@]23C(=O)C[C@]4(O)C(=CCO[C@H]5CC(=O)N(c6ccccc62)[C@@H]3[C@H]54)C1 ZINC000095884481 GD Annotated Anodyne CN1CC[C@@]23C(=O)C[C@]4(O)C(=CCO[C@@H]5CC(=O)N(c6ccccc62)[C@H]3[C@@H]54)C1 ZINC000095884482 GD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1CC ZINC000095884668 GD Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1CC ZINC000095884669 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CC1 ZINC000095884846 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)NCC1CC1 ZINC000095884847 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CC1 ZINC000095884848 GD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)NCC1CC1 ZINC000095884849 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CC1 ZINC000095884850 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)NCC1CC1 ZINC000095884851 GD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CC1 ZINC000095884852 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCC(F)(F)F)O1)NCC1CC1 ZINC000095884853 GD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095885245 GD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095885246 GD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095885247 GD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1 ZINC000095885248 GD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1 ZINC000095885249 GD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095885250 GD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1 ZINC000095885251 GD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095885309 GD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095885310 GD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095885311 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095885312 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095885313 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095885314 GD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095885315 GD Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095885445 GD Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095885446 GD Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095885447 GD Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095885448 GD Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095885449 GD Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095885450 GD Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095885451 GD Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095885452 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1 ZINC000095886090 GD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1 ZINC000095886091 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1 ZINC000095886092 GD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1 ZINC000095886093 GD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1 ZINC000095886094 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1 ZINC000095886095 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1 ZINC000095886096 GD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1 ZINC000095886097 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCC1CC1 ZINC000095886177 GD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCC1CC1 ZINC000095886178 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCC1CC1 ZINC000095886179 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCC1CC1 ZINC000095886180 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCC1CC1 ZINC000095886181 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCC1CC1 ZINC000095886182 GD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1)NCC1CC1 ZINC000095886183 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1)NCC1CC1 ZINC000095886184 GD Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@H]3O[C@H](CC(=O)N(C)C)CC[C@@H]32)cc1 ZINC000095886613 GD Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)N(C)C)CC[C@@H]32)cc1 ZINC000095886614 GD Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@@H]3O[C@@H](CC(=O)N(C)C)CC[C@H]32)cc1 ZINC000095886615 GD Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@@H]3O[C@H](CC(=O)N(C)C)CC[C@H]32)cc1 ZINC000095886616 GD Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@@H]3O[C@@H](CC(=O)N(C)C)CC[C@H]32)cc1 ZINC000095886617 GD Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@@H]3O[C@H](CC(=O)N(C)C)CC[C@H]32)cc1 ZINC000095886618 GD Annotated Anodyne COc1ccc(CN2C[C@H](O)COC[C@H]3O[C@H](CC(=O)N(C)C)CC[C@@H]32)cc1 ZINC000095886619 GD Annotated Anodyne COc1ccc(CN2C[C@@H](O)COC[C@H]3O[C@@H](CC(=O)N(C)C)CC[C@@H]32)cc1 ZINC000095886620 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1 ZINC000095886651 GD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095886652 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095886653 GD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095886654 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095886655 GD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1 ZINC000095886656 GD Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1 ZINC000095887014 GD Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1 ZINC000095887015 GD Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1 ZINC000095887016 GD Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1 ZINC000095887017 GD Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(F)c2)O1 ZINC000095887018 GD Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(F)c2)O1 ZINC000095887019 GD Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887148 GD Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887149 GD Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887150 GD Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887151 GD Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887152 GD Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887153 GD Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@@H]21 ZINC000095887154 GD Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21 ZINC000095887155 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889365 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095889366 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095889367 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889368 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889369 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095889370 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095889371 GD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889372 GD Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095892251 GD Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095892252 GD Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095892253 GD Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095892254 GD Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095892255 GD Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095892256 GD Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095892257 GD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095893038 GD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095893039 GD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095893040 GD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095893041 GD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095893042 GD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095893043 GD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095893044 GD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095893045 GD Annotated Anodyne O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095893282 GD Annotated Anodyne O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095893283 GD Annotated Anodyne O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095893284 GD Annotated Anodyne O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095893285 GD Annotated Anodyne O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893290 GD Annotated Anodyne O=C(C1CC1)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000095893331 GD Annotated Anodyne O=C(C1CC1)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095893332 GD Annotated Anodyne O=C(C1CC1)N1[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893333 GD Annotated Anodyne O=C(C1CC1)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095893334 GD Annotated Anodyne CCCNC(=O)N1[C@@H]2CN(C(=O)C3CCOCC3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893594 GD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCOCC3)C[C@@H]21 ZINC000095893595 GD Annotated Anodyne CCCNC(=O)N1[C@@H]2CN(C(=O)c3ccncc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893620 GD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccncc3)C[C@@H]21 ZINC000095893621 GD Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095893636 GD Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095893637 GD Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095893638 GD Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095893639 GD Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccncc3)C[C@@H]21 ZINC000095893644 GD Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(C(=O)c3ccncc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893645 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3F)C[C@@H]21 ZINC000095893646 GD Annotated Anodyne COCC(=O)N1[C@@H]2CN(C(=O)c3ccccc3F)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893647 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccccc3F)C[C@H]21 ZINC000095893648 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3F)C[C@@H]21 ZINC000095893649 GD Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095893890 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3C)C[C@H]21 ZINC000095893914 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3C)C[C@@H]21 ZINC000095893915 GD Annotated Anodyne CC(=O)N1[C@@H]2CN(S(=O)(=O)c3ccccc3C)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893916 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3C)C[C@@H]21 ZINC000095893917 GD Annotated Anodyne O=C(c1cnccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 ZINC000095893918 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3cccc(C)c3)C[C@H]21 ZINC000095893920 GD Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095893935 GD Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095893937 GD Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095893964 GD Annotated Anodyne CC(=O)N1[C@@H]2CN(S(=O)(=O)c3cccc(C)c3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893970 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3cccc(C)c3)C[C@@H]21 ZINC000095893972 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000095894101 GD Annotated Anodyne CCC(=O)N1[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894102 GD Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095894103 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095894104 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3F)C[C@@H]21 ZINC000095894121 GD Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095894141 GD Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095894142 GD Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095894143 GD Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095894144 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3cccc(C)c3)C[C@@H]21 ZINC000095894166 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3F)C[C@H]21 ZINC000095894167 GD Annotated Anodyne CC(=O)N1[C@@H]2CN(S(=O)(=O)c3ccccc3F)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894168 GD Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095894302 GD Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095894303 GD Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095894304 GD Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095894305 GD Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 ZINC000095894312 GD Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 ZINC000095894313 GD Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 ZINC000095894314 GD Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095894416 GD Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095894417 GD Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095894418 GD Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095894419 GD Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(C(=O)c3ccccn3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894439 GD Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccn3)C[C@@H]21 ZINC000095894440 GD Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Cc3ccccc3)C[C@@H]21 ZINC000095894511 GD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3cccnc3)C[C@@H]21 ZINC000095894534 GD Annotated Anodyne CCCNC(=O)N1[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894535 GD Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095894580 GD Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095894581 GD Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095894582 GD Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095894583 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095894661 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000095894662 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095894663 GD Annotated Anodyne CC(=O)N1[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894664 GD Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O)C(=O)C1CCC1 ZINC000095894841 GD Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(C)(=O)=O)C(=O)C1CCC1 ZINC000095894842 GD Annotated Anodyne CC(=O)N1[C@H](CNC(=O)CN(C)C)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO ZINC000095894869 GD Annotated Anodyne CC(=O)N1[C@H](CNC(=O)CN(C)C)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO ZINC000095894870 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(=O)CN(C)C ZINC000095894871 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@H]1CNC(=O)CN(C)C ZINC000095894872 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(=O)CN(C)C ZINC000095894873 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@H]1CNC(=O)CN(C)C ZINC000095894874 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(=O)CN(C)C ZINC000095894875 GD Annotated Anodyne CN(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CC1)C(=O)c1ccccn1 ZINC000095894933 GD Annotated Anodyne CN(C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)C1CC1)C(=O)c1ccccn1 ZINC000095894934 GD Annotated Anodyne CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CC1)C(=O)c1ccccn1 ZINC000095894935 GD Annotated Anodyne CN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CC1)C(=O)c1ccccn1 ZINC000095894936 GD Annotated Anodyne CN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CC1)C(=O)c1ccccn1 ZINC000095894937 GD Annotated Anodyne CN(C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CC1)C(=O)c1ccccn1 ZINC000095894938 GD Annotated Anodyne COCC(=O)N1[C@H](CN(C)C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095894947 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CN(C)S(C)(=O)=O)cc1 ZINC000095894953 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CN(C)S(C)(=O)=O)cc1 ZINC000095894954 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CN(C)S(C)(=O)=O)cc1 ZINC000095894955 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)CC)[C@H]2CN(C)S(C)(=O)=O)cc1 ZINC000095894956 GD Annotated Anodyne COCC(=O)N1[C@H](CN(C)C(=O)c2ccncc2)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095894967 GD Annotated Anodyne COCC(=O)N1[C@H](CN(C)C(=O)c2cccnc2)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095894969 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)CN(C)C)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095894986 GD Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(=O)CN(C)C ZINC000095895024 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@H]1CNC(=O)CN(C)C ZINC000095895025 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(=O)CN(C)C ZINC000095895026 GD Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(=O)CN(C)C ZINC000095895027 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CNC(=O)CN(C)C ZINC000095895028 GD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@H]1CNC(=O)CN(C)C ZINC000095895029 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(S(C)(=O)=O)[C@H]2CN(C)C(=O)CC)cc1 ZINC000095895122 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(S(C)(=O)=O)[C@H]2CN(C)C(=O)CC)cc1 ZINC000095895123 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)CC)N(S(C)(=O)=O)[C@H]2CO)cc1 ZINC000095895124 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@@H]2CN(C)C(=O)CC)cc1 ZINC000095895125 GD Annotated Anodyne COCCN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1ccncc1 ZINC000095895183 GD Annotated Anodyne COCCN(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1ccncc1 ZINC000095895184 GD Annotated Anodyne COCCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1ccncc1 ZINC000095895185 GD Annotated Anodyne COCCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1ccncc1 ZINC000095895186 GD Annotated Anodyne COCCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1ccncc1 ZINC000095895187 GD Annotated Anodyne COCCN(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1ccncc1 ZINC000095895188 GD Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895204 GD Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O ZINC000095895205 GD Annotated Anodyne COCC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O ZINC000095895206 GD Annotated Anodyne COCC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895207 GD Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O ZINC000095895208 GD Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccncc1 ZINC000095895213 GD Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1ccncc1 ZINC000095895214 GD Annotated Anodyne COCC(=O)N(C)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1ccncc1 ZINC000095895215 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000095895243 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C)C(=O)c1cccnc1 ZINC000095895244 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000095895245 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(=O)CN(C)C)cc1 ZINC000095895246 GD Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(C)(=O)=O)C(=O)C1CCCC1 ZINC000095895262 GD Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O)C(=O)C1CCCC1 ZINC000095895263 GD Annotated Anodyne COCC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(C)=O ZINC000095895287 GD Annotated Anodyne COCC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895288 GD Annotated Anodyne COCC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895289 GD Annotated Anodyne COCC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895290 GD Annotated Anodyne COCC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(C)=O ZINC000095895291 GD Annotated Anodyne COCC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(C)=O ZINC000095895292 GD Annotated Anodyne COCC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895293 GD Annotated Anodyne CCC(=O)N1[C@H](CNC(=O)CN(C)C)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO ZINC000095895317 GD Annotated Anodyne CCC(=O)N1[C@H](CNC(=O)CN(C)C)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO ZINC000095895318 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000095895320 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@@H]2CN(CC)C(C)=O)cc1 ZINC000095895369 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(C)=O)N(S(C)(=O)=O)[C@H]2CO)cc1 ZINC000095895370 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(S(C)(=O)=O)[C@H]2CN(CC)C(C)=O)cc1 ZINC000095895371 GD Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095895517 GD Annotated Anodyne CC(=O)NC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095895518 GD Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095895519 GD Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095895520 GD Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095895521 GD Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095895522 GD Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095895523 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(CC)C(=O)CN(C)C)cc1 ZINC000095895532 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(=O)CN(C)C)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895533 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)[C@H]2CN(CC)C(=O)CN(C)C)cc1 ZINC000095895534 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(CC)C(=O)CN(C)C)cc1 ZINC000095895535 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(CC)C(=O)CN(C)C)cc1 ZINC000095895536 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)[C@H]2CN(CC)C(=O)CN(C)C)cc1 ZINC000095895537 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(CC1CCC1)C(=O)CN(C)C ZINC000095895613 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC1CCC1)C(=O)CN(C)C ZINC000095895614 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(CC1CCC1)C(=O)CN(C)C ZINC000095895615 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(CC1CCC1)C(=O)CN(C)C ZINC000095895616 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(CC1CCC1)C(=O)CN(C)C ZINC000095895617 GD Annotated Anodyne CC(=O)N1[C@H](CN(CC2CCC2)C(=O)CN(C)C)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095895618 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CN(C)S(C)(=O)=O)N(C(=O)CC)[C@H]2CO)cc1 ZINC000095895653 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(C)S(C)(=O)=O)N(C(=O)CC)[C@H]2CO)cc1 ZINC000095895654 GD Annotated Anodyne CN(C)CC(=O)NC[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(C#N)c2)cc1 ZINC000095895660 GD Annotated Mild CN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)S(C)(=O)=O ZINC000095895676 GD Annotated Anodyne CN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)S(C)(=O)=O ZINC000095895677 GD Annotated Anodyne CN(C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)S(C)(=O)=O ZINC000095895678 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccncc1 ZINC000095895712 GD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C)C(=O)c1ccncc1 ZINC000095895713 GD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccncc1 ZINC000095895714 GD Annotated Anodyne CCC(=O)N(C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccncc1 ZINC000095895719 GD Annotated Anodyne COCC(=O)N(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)NC(C)C)C(C)C ZINC000095895744 GD Annotated Anodyne COCC(=O)N(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)NC(C)C)C(C)C ZINC000095895745 GD Annotated Anodyne COCC(=O)N(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)NC(C)C)C(C)C ZINC000095895746 GD Annotated Anodyne COCC(=O)N(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)NC(C)C)C(C)C ZINC000095895747 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CNC(=O)CN(C)C ZINC000095895757 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CNC(=O)CN(C)C ZINC000095895758 GD Annotated Anodyne CC(=O)N1[C@H](CNC(=O)CN(C)C)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO ZINC000095895759 GD Annotated Anodyne CC(=O)N1[C@H](CNC(=O)CN(C)C)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO ZINC000095895760 GD Annotated Anodyne COCCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1cccnc1 ZINC000095895805 GD Annotated Anodyne COCCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1cccnc1 ZINC000095895806 GD Annotated Anodyne COCCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1cccnc1 ZINC000095895807 GD Annotated Anodyne COCCN(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1cccnc1 ZINC000095895808 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)S(=O)(=O)c1ccccc1 ZINC000095895809 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(C)S(=O)(=O)c1ccccc1 ZINC000095895810 GD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)S(=O)(=O)c1ccccc1 ZINC000095895811 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)S(=O)(=O)c1ccccc1 ZINC000095895812 GD Annotated Anodyne CC(=O)N1[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)[C@@H]1CO ZINC000095895813 GD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C)S(=O)(=O)c1ccccc1 ZINC000095895814 GD Annotated Anodyne O=C(CN1CCOCC1)NC[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000095895834 GD Annotated Anodyne O=C(CN1CCOCC1)NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000095895835 GD Annotated Anodyne O=C(CN1CCOCC1)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000095895836 GD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CN(CC)C(=O)CN2CCOCC2)cc1 ZINC000095895837 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N[C@H]2CN(CC)C(=O)CN2CCOCC2)cc1 ZINC000095895838 GD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N[C@@H]2CN(CC)C(=O)CN2CCOCC2)cc1 ZINC000095895839 GD Annotated Anodyne O=C(NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1ccncc1)C1CCC1 ZINC000095895864 GD Annotated Anodyne O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1ccncc1)C1CCC1 ZINC000095895865 GD Annotated Anodyne O=C(NC[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccncc1)C1CCC1 ZINC000095895866 GD Annotated Anodyne O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccncc1)C1CCC1 ZINC000095895867 GD Annotated Anodyne O=C(NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccncc1)C1CCC1 ZINC000095895868 GD Annotated Anodyne O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1ccncc1)C1CCC1 ZINC000095895869 GD Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895972 GD Annotated Anodyne COCC(=O)N(C)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895973 GD Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895974 GD Annotated Anodyne CN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)S(C)(=O)=O ZINC000095895988 GD Annotated Anodyne CN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)S(C)(=O)=O ZINC000095895989 GD Annotated Anodyne CN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)S(C)(=O)=O ZINC000095895990 GD Annotated Anodyne CN(C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)S(C)(=O)=O ZINC000095895991 GD Annotated Anodyne CN(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)S(C)(=O)=O ZINC000095895992 GD Annotated Anodyne CN(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)S(C)(=O)=O ZINC000095895993 GD Annotated Anodyne CN(C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)S(C)(=O)=O ZINC000095895994 GD Annotated Anodyne CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)S(C)(=O)=O ZINC000095895995 GD Annotated Anodyne N#C[C@H]1[C@H](c2ccc(-c3cncnc3)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095897539 GD Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3cncnc3)cc2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095897540 GD Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3ccncc3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897556 GD Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)CN3CCOCC3)[C@H]2CO)cc1 ZINC000095897838 GD Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)CN3CCOCC3)[C@H]2C#N)cc1 ZINC000095897839 GD Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)CN3CCOCC3)[C@H]2CO)cc1 ZINC000095897840 GD Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)CN3CCOCC3)[C@H]2CO)cc1 ZINC000095897841 GD Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)CN3CCOCC3)[C@@H]2CO)cc1 ZINC000095897842 GD Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](C#N)N(C(=O)CN3CCOCC3)[C@H]2CO)cc1 ZINC000095897843 GD Annotated Mild CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H]1C#N ZINC000095897896 GD Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H]1CO ZINC000095897897 GD Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H]1CO ZINC000095897898 GD Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H]1CO ZINC000095897899 GD Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@H]1CO ZINC000095897900 GD Annotated Mild CS(=O)(=O)N1[C@H](CO)[C@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H]1C#N ZINC000095897901 GD Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@H]1CO ZINC000095897902 GD Annotated Mild CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899751 GD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899752 GD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899753 GD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899754 GD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899755 GD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899756 GD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899757 GD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899758 GD Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899786 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899787 GD Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899788 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899789 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899790 GD Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899791 GD Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900103 GD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900104 GD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900379 GD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900380 GD Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900867 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900868 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900869 GD Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900870 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900871 GD Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900993 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900994 GD Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900995 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900996 GD Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900997 GD Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900998 GD Annotated Anodyne CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@@H]1O2 ZINC000095901497 GD Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@@H](CO)[C@H]1O2 ZINC000095901498 GD Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@@H](CO)[C@@H]1O2 ZINC000095901499 GD Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@H]1O2 ZINC000095901500 GD Annotated Clean CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901599 GD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901600 GD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901601 GD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901602 GD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901603 GD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901604 GD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901605 GD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901606 GD Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)COC)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901711 GD Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)COC)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901712 GD Annotated Anodyne CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@H](CO)[C@@H]1O2 ZINC000095901786 GD Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@@H](CO)[C@H]1O2 ZINC000095901787 GD Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccn3)O[C@@H](CO)[C@@H]1O2 ZINC000095901788 GD Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccn3)O[C@H](CO)[C@H]1O2 ZINC000095901789 GD Annotated Clean CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)COC)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902017 GD Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)COC)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902018 GD Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)COC)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902019 GD Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)COC)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902020 GD Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)COC)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902021 GD Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)COC)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902022 GD Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902097 GD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902098 GD Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095903255 GD Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095903256 GD Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095903257 GD Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095903258 GD Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095903259 GD Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095903260 GD Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095903261 GD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095903365 GD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095903366 GD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095903367 GD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095903368 GD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095903369 GD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095903370 GD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095903371 GD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095903372 GD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO)c1ccncc1 ZINC000095903409 GD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO)c1ccncc1 ZINC000095903411 GD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO)c1ccncc1 ZINC000095903412 GD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO)c1ccncc1 ZINC000095903413 GD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO)c1ccncc1 ZINC000095903414 GD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO)c1ccncc1 ZINC000095903415 GD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO)c1ccncc1 ZINC000095903416 GD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO)c1ccncc1 ZINC000095903417 GD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903548 GD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1 ZINC000095903549 GD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903550 GD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1 ZINC000095903551 GD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1 ZINC000095903552 GD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903553 GD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903554 GD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1 ZINC000095903555 GD Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2CC[C@@H](NC(=O)C3CC3)[C@H](CO)O2)c1 ZINC000095903617 GD Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2CC[C@H](NC(=O)C3CC3)[C@@H](CO)O2)c1 ZINC000095903618 GD Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2CC[C@@H](NC(=O)C3CC3)[C@H](CO)O2)c1 ZINC000095903619 GD Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2CC[C@H](NC(=O)C3CC3)[C@@H](CO)O2)c1 ZINC000095903620 GD Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2CC[C@H](NC(=O)C3CC3)[C@H](CO)O2)c1 ZINC000095903621 GD Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2CC[C@@H](NC(=O)C3CC3)[C@@H](CO)O2)c1 ZINC000095903622 GD Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2CC[C@H](NC(=O)C3CC3)[C@H](CO)O2)c1 ZINC000095903623 GD Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2CC[C@@H](NC(=O)C3CC3)[C@@H](CO)O2)c1 ZINC000095903624 GD Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCC1 ZINC000095903647 GD Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCC1 ZINC000095903648 GD Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCC1 ZINC000095903649 GD Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCC1 ZINC000095903651 GD Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCC1 ZINC000095903653 GD Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCC1 ZINC000095903654 GD Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCC1 ZINC000095903655 GD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095903671 GD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095903672 GD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095903674 GD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095903676 GD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095903678 GD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095903680 GD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095903682 GD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095903683 GD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCC1 ZINC000095903863 GD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCC1 ZINC000095903864 GD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCC1 ZINC000095903866 GD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCC1 ZINC000095903868 GD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCC1 ZINC000095903869 GD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCC1 ZINC000095903870 GD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCC1 ZINC000095903871 GD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCC1 ZINC000095903872 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903888 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903889 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903891 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903892 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903894 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903896 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903898 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903900 GD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1)c1cnccn1 ZINC000095903930 GD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)c1cnccn1 ZINC000095903932 GD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1)c1cnccn1 ZINC000095903935 GD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)c1cnccn1 ZINC000095903936 GD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1)c1cnccn1 ZINC000095903939 GD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1)c1cnccn1 ZINC000095903940 GD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)c1cnccn1 ZINC000095903941 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CC1 ZINC000095904187 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CC1 ZINC000095904188 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CC1 ZINC000095904189 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CC1 ZINC000095904190 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CC1 ZINC000095904191 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CC1 ZINC000095904192 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CC1 ZINC000095904194 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CC1 ZINC000095904195 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904291 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904292 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904293 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904295 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904297 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904299 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904300 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904302 GD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1 ZINC000095904318 GD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1 ZINC000095904319 GD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1 ZINC000095904320 GD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1 ZINC000095904322 GD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1 ZINC000095904324 GD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1 ZINC000095904325 GD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1 ZINC000095904326 GD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1 ZINC000095904327 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095904336 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095904337 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095904339 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095904340 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095904341 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095904342 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095904345 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095904347 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095904374 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095904376 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095904378 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095904380 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095904381 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095904382 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095904383 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095904384 GD Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904389 GD Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904390 GD Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904391 GD Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904392 GD Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904393 GD Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904394 GD Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904395 GD Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904397 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CC3)O[C@H]2CO)cc1 ZINC000095904430 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CC3)O[C@@H]2CO)cc1 ZINC000095904431 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CC3)O[C@H]2CO)cc1 ZINC000095904432 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CC3)O[C@@H]2CO)cc1 ZINC000095904433 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CC3)O[C@H]2CO)cc1 ZINC000095904434 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CC3)O[C@@H]2CO)cc1 ZINC000095904435 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CC3)O[C@H]2CO)cc1 ZINC000095904436 GD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CC3)O[C@@H]2CO)cc1 ZINC000095904437 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095904471 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095904472 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095904474 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095904476 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095904477 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095904479 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095904481 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095904482 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095904498 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095904500 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095904501 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095904502 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095904503 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095904505 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095904507 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095904603 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095904604 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095904605 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095904606 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095904607 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095904608 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095904609 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095904610 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904731 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904732 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904733 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904734 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904735 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904736 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095904737 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095904738 GD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCC1 ZINC000095905067 GD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCC1 ZINC000095905068 GD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCC1 ZINC000095905069 GD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCC1 ZINC000095905070 GD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCC1 ZINC000095905071 GD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCC1 ZINC000095905072 GD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCC1 ZINC000095905073 GD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095905415 GD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095905416 GD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095905417 GD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095905418 GD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095905419 GD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095905420 GD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)nn1 ZINC000095905421 GD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)nn1 ZINC000095905422 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095905563 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095905564 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095905565 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095905566 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095905567 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095905568 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095905569 GD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095905570 GD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905677 GD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905678 GD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905679 GD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905680 GD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905681 GD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905682 GD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905683 GD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905684 GD Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905685 GD Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905686 GD Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905687 GD Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905688 GD Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905689 GD Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1 ZINC000095905690 GD Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1cccc(F)c1 ZINC000095905691 GD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO)c1ccncc1 ZINC000095905994 GD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO)c1ccncc1 ZINC000095905995 GD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO)c1ccncc1 ZINC000095905996 GD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO)c1ccncc1 ZINC000095905997 GD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO)c1ccncc1 ZINC000095905998 GD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO)c1ccncc1 ZINC000095905999 GD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO)c1ccncc1 ZINC000095906000 GD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO)c1ccncc1 ZINC000095906001 GD Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906349 GD Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906350 GD Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906351 GD Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906352 GD Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906353 GD Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906354 GD Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906355 GD Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906356 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@H](CO)O1 ZINC000095906512 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1 ZINC000095906513 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1 ZINC000095906514 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1 ZINC000095906515 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1 ZINC000095906516 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1 ZINC000095906517 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1 ZINC000095906518 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095906519 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095906520 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095906521 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095906522 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095906523 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095906524 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccccc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095906525 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095906526 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095906604 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095906605 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095906606 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095906607 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095906608 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095906609 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095906610 GD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@H](CO)O2)nn1 ZINC000095906870 GD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 ZINC000095906871 GD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 ZINC000095906872 GD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@H](CO)O2)nn1 ZINC000095906873 GD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 ZINC000095906874 GD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@H](CO)O2)nn1 ZINC000095906875 GD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)Cc3cccnc3)[C@H](CO)O2)nn1 ZINC000095906876 GD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1 ZINC000095906877 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095907257 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095907258 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095907259 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095907260 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095907261 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095907262 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095907263 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095907264 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095907296 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095907297 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095907298 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095907299 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095907300 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095907301 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095907302 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095907303 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1 ZINC000095907381 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C=C[C@H](NC(=O)CC2CC2)[C@@H](CO)O1 ZINC000095907382 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1 ZINC000095907383 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C=C[C@H](NC(=O)CC2CC2)[C@@H](CO)O1 ZINC000095907384 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C=C[C@H](NC(=O)CC2CC2)[C@H](CO)O1 ZINC000095907385 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1 ZINC000095907386 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C=C[C@H](NC(=O)CC2CC2)[C@H](CO)O1 ZINC000095907387 GD Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1 ZINC000095907388 GD Annotated Anodyne COCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907413 GD Annotated Anodyne COCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907414 GD Annotated Anodyne COCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907415 GD Annotated Anodyne COCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907416 GD Annotated Anodyne COCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907417 GD Annotated Anodyne COCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907418 GD Annotated Anodyne COCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907419 GD Annotated Anodyne COCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907420 GD Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095907484 GD Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095907485 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccccc1 ZINC000095908002 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095908003 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccccc1 ZINC000095908004 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095908005 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccccc1 ZINC000095908006 GD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095908007 GD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccccc1 ZINC000095908008 GD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095908009 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095908039 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095908040 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095908041 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095908042 GD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095908043 GD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095908044 GD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095908045 GD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095908046 GD Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO ZINC000095908062 GD Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO ZINC000095908063 GD Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO ZINC000095908064 GD Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO ZINC000095908065 GD Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO ZINC000095908066 GD Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO ZINC000095908067 GD Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO ZINC000095908068 GD Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NC2Cc3ccccc3C2)O[C@@H]1CO ZINC000095908069 GD Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@@H](O)[C@H](O)[C@@]34[C@@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@]123)C4(C)C ZINC000095909227 GD Annotated Mild in-vitro biogenic CC(=O)OC[C@]1(C)[C@H]2C[C@H](O)[C@@]34C[C@@H](CC[C@@H]3[C@]2(C)CC[C@H]1O)[C@]1(CO)O[C@@H]14 ZINC000095909231 GD Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@@]23O[C@@H]2C[C@]2(C)O[C@@]23[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000095909465 GD Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)C2=C([C@H]3OC(=O)[C@@H](C)[C@H]13)[C@](C)(O)CC2=O ZINC000095909466 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]4O[C@H](OC)[C@]5(CC[C@H](O)C(C)(C)[C@H]5[C@@H]4O)[C@@H]2CC[C@@H]1[C@H]3O ZINC000095910152 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@]1(CO)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000095910162 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000095910163 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@@]2(C)[C@]12[C@@H](O)CCC(C)(C)[C@H]1C[C@@]3(O)O[C@H]2O ZINC000095910164 GD Annotated Mild in-vitro biogenic COC(=O)C[C@H]1[C@@H](OC(=O)/C=C\c2ccc(O)cc2)C[C@@]2(O)CO[C@H](OC)[C@@H]12 ZINC000095910212 GD Annotated Anodyne in-vitro biogenic COc1cc(/C=C/CO)ccc1Oc1ccc([C@H](O)[C@@H](O)CO)cc1OC ZINC000095910734 GD Annotated Anodyne in-vitro biogenic COc1cc(/C=C/CO)ccc1Oc1ccc([C@H](O)[C@H](O)CO)cc1OC ZINC000095910735 GD Annotated Anodyne in-vitro biogenic C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000095911191 GD Annotated Mild in-vitro biogenic CC(=O)O[C@H]1CCC(C)(C)[C@H]2C[C@@]3(O)OC[C@@]12[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@]13[C@@H]2O ZINC000095911192 GD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@H]4CC[C@@H]1[C@H]2O[C@@H](C)O[C@]31OC[C@]42[C@@H](O)CCC(C)(C)[C@H]2[C@@H]1O ZINC000095911195 GD Annotated Mild in-vitro biogenic OCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000095911241 GD Annotated Clean in-vitro biogenic COC[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)C=CC2=O ZINC000095911251 GD Annotated Mild in-vitro biogenic CC(C)=CC[C@@]1(C)C(=O)C(C(=O)C(C)C)=C(O)[C@@]2(O)C[C@@H](C(C)(C)O)O[C@]21O ZINC000095911551 GD Annotated Mild in-vitro biogenic CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](O)C[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O ZINC000095911599 GD Annotated Anodyne in-vitro biogenic CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@@H]3OC[C@H]4[C@H]1[C@]24[C@H]3O ZINC000095911800 GD Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](C[C@](C)(O)[C@@H](O)COc2ccc3ccc(=O)oc3c2O)OC1=O ZINC000095912020 GD Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000095912155 GD Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C[C@H](O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@]23C)[C@@H]1O ZINC000095912336 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23C(=O)[C@@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@H](O)[C@@]4(C)[C@@H]2CC[C@@H]1[C@H]3O ZINC000095912416 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23CO[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@]1(O)C3 ZINC000095912421 GD Annotated Mild in-vitro biogenic CCN1[C@@H]2[C@@H]3C[C@H]4[C@@]2([C@@H]2CC[C@@]4(C)[C@H]1O2)[C@@H]1C[C@@H]2[C@@H](OC)C[C@@]3(O)[C@H]1[C@H]2O ZINC000095912624 GD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)C[C@H](O)[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000095912800 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)C(OC(C)=O)=CC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000095912826 GD Annotated Mild in-vitro biogenic C=C1[C@@H]2[C@@H](OC(C)=O)C[C@H]3[C@]4(C)CCC(=O)C(C)(C)[C@H]4C[C@@H](O)[C@@]3([C@H]1O)[C@@H]2O ZINC000095912827 GD Annotated Mild in-vitro biogenic CO[C@H]1CC[C@@]2(C)CN(C)[C@@H]3[C@@H]4C[C@H]2[C@]13[C@@H]1C[C@H]2[C@H](O)[C@@H]1[C@]4(O)C[C@H]2OC ZINC000095912840 GD Annotated Anodyne in-vitro biogenic COc1cc2c(cc1[C@@H]1c3cc4c(cc3C[C@H]3COC(=O)[C@@]31O)OCO4)OCO2 ZINC000095912842 GD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000095913307 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(C)C[C@H](O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](O)C3 ZINC000095913362 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23[C@@H]4[C@@]5(CCC[C@](C)(C=O)[C@H]5C[C@H]2O)CO[C@]4(OC)C[C@@H]1[C@H]3O ZINC000095913412 GD Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@]3(C2)[C@@H]1O ZINC000095913438 GD Annotated Mild in-vitro biogenic COC[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)C=CC2=O ZINC000095913446 GD Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CCC5=O)[C@]3(C2)[C@@H]1OC(C)=O ZINC000095913448 GD Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)[C@H]4CC(=O)[C@@]32CO4)[C@@H]1O ZINC000095913450 GD Annotated Mild in-vitro biogenic C=C1C(=O)O[C@@H]2C3=C(CO)CCC=C3C[C@H](OC(=O)/C(C)=C\COC(C)=O)[C@@H]12 ZINC000095913573 GD Annotated Mild in-vitro biogenic COC(=O)[C@]12CC[C@]34CCCN5C[C@H](C(=O)C3)[C@@]1(c1ccc3c(c1N2)OCO3)[C@@H]54 ZINC000095913680 GD Annotated Anodyne in-vitro biogenic COC[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000095913875 GD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CO[C@@H](OC)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000095913877 GD Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@H](O)[C@H]2C(=O)c3ccoc3C[C@H]2[C@@]2(C)C(=O)CCC(C)(C)[C@]12O ZINC000095913919 GD Annotated Anodyne in-vitro biogenic C=C1[C@H]2C[C@]3([C@@H]([C@H]4O[C@@H]24)[C@]24CCCC(C)(C)[C@H]2[C@H](OC(C)=O)[C@@]3(O)OC4)[C@@H]1O ZINC000095914041 GD Annotated Mild in-vitro biogenic COC1=C(OC)[C@@]23CCc4ccc(OC)c(OC)c4[C@]2(CC1=O)CC(=O)N3C ZINC000095914116 GD Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C=O)CCCC(C)(C)[C@H]4[C@H](O)C[C@@]3([C@H]1OC(C)=O)[C@@H]2O ZINC000095914353 GD Annotated Mild in-vitro biogenic COc1cc(/C=C2\C(=O)[C@H]3C[C@@]45CCO[C@@H]2[C@@]4(COC5=O)O3)cc(OC)c1O ZINC000095914481 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O ZINC000095914737 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@@H](O)[C@H](O)[C@@H]1[C@H]2OC(C)=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000095914745 GD Annotated Mild in-vitro biogenic C=C1[C@@H]2CC(=O)[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@@](O)(OC5)[C@]3(C2)[C@@H]1O ZINC000095914754 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@H](OC)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000095914760 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@@H](OC(C)=O)C[C@@H](O)C(C)(C)[C@H]1C[C@H]3O ZINC000095914809 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@@]1(O)C[C@H](OC(C)=O)[C@H]2[C@]1(C)CCC[C@@](C)(CO)[C@H]1C[C@H]3O ZINC000095914880 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000095914881 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(CO)[C@H]2[C@@H](OC(C)=O)C[C@@H]1[C@H]3O ZINC000095914883 GD Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H]3O[C@@H](OC)[C@@]45[C@@H](O)CCC(C)(C)[C@H]4[C@H](O)C(=O)[C@@](C2)([C@@H]35)[C@@H]1O ZINC000095914892 GD Annotated Mild in-vitro biogenic C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)OC(C)=O)[C@H]23 ZINC000095918622 GD Annotated Mild in-vitro biogenic COc1ccc2c(c1OC)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@H](OC)C(=O)C3 ZINC000095918758 GD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@H](O)C[C@@H]1[C@H]2O)[C@]1(C)C[C@@H](OC(C)=O)CC(C)(C)[C@H]1C[C@H]3O ZINC000095918823 GD Annotated Mild in-vitro biogenic COC(=O)[C@]1(C)CCC[C@]2(O)[C@@H]1CC[C@@]13C[C@@H](CC[C@]21C)[C@@](O)(CO)C3=O ZINC000095919185 GD Annotated Anodyne in-vitro biogenic COC(=O)Cc1c(O)cc(O)cc1OC(=O)c1cc(OC)c(O)c(OC)c1 ZINC000095919325 GD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](O)[C@@H]3O ZINC000095919442 GD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C(=O)[C@@H]3O ZINC000095919444 GD Annotated Mild in-vitro biogenic C[C@@H](O)[C@](C)(NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)N=O ZINC000095920559 GD Annotated Mild Nc1ccc(CC(=O)N(Cc2ccc(N)cc2)C[C@H]2CNCC=C(CO)C2)cc1 ZINC000095920755 GD Annotated Clean O=C(NCc1ccc(CNCc2ncc[nH]2)cc1)c1csc2nc[nH]c(=O)c12 ZINC000095920768 GD Annotated Anodyne N=CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)CN2)CC1 ZINC000095920810 GD Annotated Anodyne in-vitro Cc1c(/C=C(/C#N)C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)cc(C#N)n1C ZINC000096011713 GD Annotated Reactive Cc1c(/C=C(/C#N)C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)cc(C#N)n1C ZINC000096011714 GD Annotated Reactive COC(=O)[C@@H]1CN(CC(C)C)CCS(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000096019078 GD Annotated Anodyne COC(=O)[C@H](C(C)C)N1Cc2nnn(Cc3ccccc3)c2C=CS1(=O)=O ZINC000096019430 GD Annotated Anodyne COC(=O)[C@@H]1CN(C2CCCC2)CCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096020378 GD Annotated Anodyne COC(=O)[C@H]1CN(C2CCCC2)CCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096020379 GD Annotated Anodyne COC(=O)[C@@H]1CN(C2CCCC2)CCS(=O)(=O)N1Cc1ccc(C)cc1 ZINC000096020403 GD Annotated Anodyne COC(=O)[C@H]1CN(C2CCCC2)CCS(=O)(=O)N1Cc1ccc(C)cc1 ZINC000096020404 GD Annotated Anodyne O=S1(=O)C[C@@H](N2CCCC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020565 GD Annotated Anodyne O=S1(=O)C[C@H](N2CCCC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020566 GD Annotated Anodyne C#CCN1C[C@@H](N(C)CCOC(=O)c2occ3ccccc23)CS1(=O)=O ZINC000096020582 GD Annotated Anodyne C#CCN1C[C@H](N(C)CCOC(=O)c2occ3ccccc23)CS1(=O)=O ZINC000096020583 GD Annotated Anodyne C#CCN1C[C@@H](N(C)CCOC(=O)CCCc2ccccc2)CS1(=O)=O ZINC000096020610 GD Annotated Anodyne C#CCN1C[C@H](N(C)CCOC(=O)CCCc2ccccc2)CS1(=O)=O ZINC000096020611 GD Annotated Anodyne C#CCN1C[C@@H](N(C)CCOC(=O)c2ccc(C(C)(C)C)cc2)CS1(=O)=O ZINC000096020618 GD Annotated Anodyne C#CCN1C[C@H](N(C)CCOC(=O)c2ccc(C(C)(C)C)cc2)CS1(=O)=O ZINC000096020619 GD Annotated Anodyne Cc1ccc(Cn2cc(CN3C[C@H](N4CCCCC4)CS3(=O)=O)nn2)cc1 ZINC000096020799 GD Annotated Anodyne Cc1ccc(Cn2cc(CN3C[C@@H](N4CCCCC4)CS3(=O)=O)nn2)cc1 ZINC000096020800 GD Annotated Anodyne O=S1(=O)C[C@@H](N2CCCCC2)CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096020801 GD Annotated Anodyne O=S1(=O)C[C@H](N2CCCCC2)CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096020802 GD Annotated Anodyne O=S1(=O)C[C@@H](N2CCCCC2)CN1Cc1cn(Cc2ccccc2)nn1 ZINC000096020803 GD Annotated Anodyne O=S1(=O)C[C@H](N2CCCCC2)CN1Cc1cn(Cc2ccccc2)nn1 ZINC000096020804 GD Annotated Anodyne O=S1(=O)C[C@@H](N2CCCC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000096020811 GD Annotated Anodyne O=S1(=O)C[C@H](N2CCCC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000096020812 GD Annotated Anodyne Cc1cc(C)cc(Cn2cc(CN3C[C@H](N4CCCC4)CS3(=O)=O)nn2)c1 ZINC000096020813 GD Annotated Anodyne Cc1cc(C)cc(Cn2cc(CN3C[C@@H](N4CCCC4)CS3(=O)=O)nn2)c1 ZINC000096020814 GD Annotated Anodyne O=S1(=O)C[C@@H](N2CCCC2)CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096020817 GD Annotated Anodyne O=S1(=O)C[C@H](N2CCCC2)CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096020818 GD Annotated Anodyne CN1CCN(c2cccc3c2S(=O)(=O)N[C@H](Cc2ccccc2)CO3)CC1 ZINC000096020875 GD Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cccc(N3CCC[C@@H]3CO)c21 ZINC000096020884 GD Annotated Anodyne CCCN(C)[C@@H]1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1 ZINC000096020966 GD Annotated Anodyne CCCN(C)[C@H]1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1 ZINC000096020967 GD Annotated Anodyne CCCN(C)[C@@H]1CN(Cc2cn(Cc3cc(C)cc(C)c3)nn2)S(=O)(=O)C1 ZINC000096020970 GD Annotated Anodyne CCCN(C)[C@H]1CN(Cc2cn(Cc3cc(C)cc(C)c3)nn2)S(=O)(=O)C1 ZINC000096020971 GD Annotated Anodyne CCCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(OC)cc3)nn2)S(=O)(=O)C1 ZINC000096020972 GD Annotated Anodyne CCCN(C)[C@H]1CN(Cc2cn(Cc3ccc(OC)cc3)nn2)S(=O)(=O)C1 ZINC000096020973 GD Annotated Anodyne CCCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(C)cc3)nn2)S(=O)(=O)C1 ZINC000096020974 GD Annotated Anodyne CCCN(C)[C@H]1CN(Cc2cn(Cc3ccc(C)cc3)nn2)S(=O)(=O)C1 ZINC000096020975 GD Annotated Anodyne CCCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1 ZINC000096020976 GD Annotated Anodyne CCCN(C)[C@H]1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1 ZINC000096020977 GD Annotated Anodyne CCCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(Cl)cc3)nn2)S(=O)(=O)C1 ZINC000096020978 GD Annotated Anodyne CCCN(C)[C@H]1CN(Cc2cn(Cc3ccc(Cl)cc3)nn2)S(=O)(=O)C1 ZINC000096020979 GD Annotated Anodyne CCN(C)[C@@H]1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1 ZINC000096020986 GD Annotated Anodyne CCN(C)[C@H]1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1 ZINC000096020987 GD Annotated Anodyne CCN(C)[C@@H]1CN(Cc2cn(Cc3cc(C)cc(C)c3)nn2)S(=O)(=O)C1 ZINC000096020990 GD Annotated Anodyne CCN(C)[C@H]1CN(Cc2cn(Cc3cc(C)cc(C)c3)nn2)S(=O)(=O)C1 ZINC000096020991 GD Annotated Anodyne CCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(Cl)cc3)nn2)S(=O)(=O)C1 ZINC000096020998 GD Annotated Anodyne CCN(C)[C@H]1CN(Cc2cn(Cc3ccc(Cl)cc3)nn2)S(=O)(=O)C1 ZINC000096020999 GD Annotated Anodyne CN1CCC(N2CCN([C@@H]3CN(C4CCCCC4)S(=O)(=O)C3)CC2)CC1 ZINC000096021034 GD Annotated Anodyne CN1CCC(N2CCN([C@H]3CN(C4CCCCC4)S(=O)(=O)C3)CC2)CC1 ZINC000096021035 GD Annotated Anodyne CCOC(=O)c1ccc(NC(=O)OC[C@@H]2CSCCS(=O)(=O)N2)cc1 ZINC000096021269 GD Annotated Anodyne CO[C@@H]1C(=O)C[C@]23CC(=O)N(C)[C@@]24C[C@H](O[C@@]14OC)c1cc2c(cc13)OCO2 ZINC000096085664 GD Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H](O)C/C(C)=C/[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2O ZINC000096085935 GD Annotated Anodyne CC1=CC(=O)C[C@H](C)[C@@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 ZINC000096086076 GD Annotated Mild CC1=C(C=O)C[C@H](C)[C@@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 ZINC000096086078 GD Annotated Reactive CCc1[nH]c(=O)c(C(C)C)nc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O ZINC000096086286 GD Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3C[C@H](NS(=O)(=O)c4ccccc4)[C@H]2C3)cn1 ZINC000096095706 GD Annotated Anodyne CC(=O)N1CC=C(c2nccnc2OC2CN(C(=O)c3cc(C)c[nH]3)C2)CC1 ZINC000096168895 GD Annotated Anodyne CC(=O)N1CC=C(c2nccnc2OC2CN(C(=O)c3ccc(C)cn3)C2)CC1 ZINC000096168923 GD Annotated Anodyne C/C(=N\NC(N)=O)c1ccc2ncc([C@H](O)c3cc4cccnc4cc3F)n2n1 ZINC000096169127 GD Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](O)c3cc4cccnc4cc3F)n2n1 ZINC000096169128 GD Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@H](O)c3ccc4ncccc4c3)n2n1 ZINC000096169129 GD Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](O)c3ccc4ncccc4c3)n2n1 ZINC000096169130 GD Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@](C)(O)c3ccc4ncccc4c3)n2n1 ZINC000096169139 GD Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@@](C)(O)c3ccc4ncccc4c3)n2n1 ZINC000096169140 GD Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1 ZINC000096169145 GD Annotated Reactive C/C(=N\NC(N)=O)c1ccc2nnc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169157 GD Annotated Reactive C/C(=N\NC(N)=O)c1cnc2nnn([C@@H](C)c3cc4cccnc4cc3F)c2n1 ZINC000096169177 GD Annotated Reactive C/C(=N\NC(N)=O)c1cnc2nnn([C@H](C)c3cc4cccnc4cc3F)c2n1 ZINC000096169178 GD Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1 ZINC000096169181 GD Annotated Reactive COc1ccc(Cc2nc3c(-c4cnn(S(C)(=O)=O)c4)cccn3n2)cc1 ZINC000096169568 GD Annotated Anodyne C/C(=N\OC(CO)CO)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1 ZINC000096170308 GD Annotated Mild CCOc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccccc3)C2)nc(C)c1F ZINC000096173847 GD Annotated Anodyne CCc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccccc3)C2)nc(C)c1F ZINC000096173848 GD Annotated Anodyne Cc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3)C2)nc(C)c1F ZINC000096173867 GD Annotated Anodyne O=C(N[C@H](C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1 ZINC000096174258 GD Annotated Anodyne NS(=O)(=O)c1ccc(N2CCN(c3ccc(O)cc3)CC2)c(ON=O)c1 ZINC000096174470 GD Annotated Anodyne c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)nc(N2CCOCC2)n1 ZINC000096175989 GD Annotated Anodyne CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000096177954 GD Annotated Anodyne NS(=O)(=O)[C@H](Cc1ccc(NC(=O)C(=O)O)cc1)c1nc2ccccc2o1 ZINC000096258560 GD Annotated Anodyne NS(=O)(=O)[C@@H](Cc1ccc(NC(=O)C(=O)O)cc1)c1nc2ccccc2o1 ZINC000096258562 GD Annotated Anodyne O=S(=O)(c1cccs1)N1CCCn2nnc(CN3CCCCC3)c2C1 ZINC000096259598 GD Annotated Anodyne CC(=O)N1CC[C@@]2(C(=O)Nc3ccccc3)CCN(S(C)(=O)=O)CC[C@@H]12 ZINC000096263589 GD Annotated Anodyne O=S(=O)(N1CCOCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1 ZINC000096272994 GD Annotated Mild N#Cc1ccc2cc3c(=O)[nH]c(=O)nc-3n(-c3cccc(-c4nnn[nH]4)c3)c2c1 ZINC000096282687 GD Annotated Mild CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCCCC2)[C@H]3C1=O ZINC000096286744 GD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(F)c(C)c2)[C@H]3C1=O ZINC000096286761 GD Annotated Anodyne CC(C)(C)[C@@]1(SCCO)OC(=N)c2c(N)nc(SCCO)c(C#N)c21 ZINC000096336570 GD Annotated Mild CC(C)(C)[C@]1(SCCO)OC(=N)c2c(N)nc(SCCO)c(C#N)c21 ZINC000096336571 GD Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3CC[C@@H]12 ZINC000096900146 GD Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]3CC[C@@H]12 ZINC000096900148 GD Annotated Mild CC(=O)O[C@H]1C=C2CCN3C(=O)c4cc5c(cc4[C@H]([C@@H]1OC(C)=O)[C@@H]23)OCO5 ZINC000096901080 GD Annotated Anodyne COc1cc(C(=O)Nc2nnn[nH]2)nc(-c2cc(OC)c(OC)c(OC)c2)c1 ZINC000096901297 GD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](OC(C)=O)[C@@H]1[C@H]2O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O ZINC000096902369 GD Annotated Mild C=CCN1CCN(C(=O)CCCC[C@@H](C)O[C@@H]2O[C@@H](C)[C@H](O)C[C@H]2O)CC1 ZINC000096903279 GD Annotated Mild Nc1nc(Nc2cccc(S(N)(=O)=O)c2)sc1C(=O)c1cccnc1 ZINC000096905494 GD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C(=O)N4C[C@@H](CCC5=C2[C@@H]1CC5)[C@]3(CO)/C=C\C(=O)[C@H](C)C4 ZINC000096906113 GD Annotated Mild COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@H](O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@@H]([C@@]2(C)C1=O)[C@]43C ZINC000096906613 GD Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@@H]([C@@]2(C)C1=O)[C@]43C ZINC000096906614 GD Annotated Mild NS(=O)(=O)C1=NN2C(=O)c3ccccc3N[C@@H](c3ccsc3)N=C2S1 ZINC000096907279 GD Annotated Anodyne NS(=O)(=O)C1=NN2C(=O)c3ccccc3N[C@H](c3ccsc3)N=C2S1 ZINC000096907280 GD Annotated Anodyne NS(=O)(=O)C1=NN2C(=NC(=O)/C2=C\c2ccc(Br)cc2)S1 ZINC000096907282 GD Annotated Anodyne Cc1nc(-c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](C(N)=O)OC(=O)N43)cn2)no1 ZINC000096907350 GD Annotated Anodyne NC(=O)[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5ccoc5=O)nc4)cc3OC[C@@H]12 ZINC000096907351 GD Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)[C@@H]2COc3cc(-c4ccc(CO)nc4)ccc3N12 ZINC000096907354 GD Annotated Anodyne CC(=O)O[C@H]1C[C@H]2CCN3C(=O)c4cc5c(cc4[C@@H]([C@H]23)[C@H]1OC(C)=O)OCO5 ZINC000096907728 GD Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2CCN3C(=O)c4cc5c(cc4[C@H]([C@H]1OC(C)=O)[C@@H]23)OCO5 ZINC000096907729 GD Annotated Anodyne CC(=O)O[C@H]1C[C@H]2CCN3C(=O)c4cc5c(cc4[C@H]([C@H]1OC(C)=O)[C@@H]23)OCO5 ZINC000096907730 GD Annotated Anodyne CCOC(=O)c1cn(C[C@H](O)Cn2cncn2)c2cc(Cl)c(F)cc2c1=O ZINC000096908849 GD Annotated Anodyne CCOC(=O)c1cn(C[C@@H](O)Cn2cncn2)c2cc(Cl)c(F)cc2c1=O ZINC000096908850 GD Annotated Anodyne O=C(O)c1cn(C[C@H](O)Cn2cncn2)c2cc(C(F)(F)F)ccc2c1=O ZINC000096909053 GD Annotated Anodyne O=C(O)c1cn(C[C@@H](O)Cn2cncn2)c2cc(C(F)(F)F)ccc2c1=O ZINC000096909054 GD Annotated Anodyne CN1CC[C@]2(Br)C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@H]12)OCO5 ZINC000096909158 GD Annotated Anodyne CCOC(=O)c1cn(C[C@H](O)Cn2cncn2)c2c(F)cc(F)cc2c1=O ZINC000096909271 GD Annotated Anodyne CCOC(=O)c1cn(C[C@@H](O)Cn2cncn2)c2c(F)cc(F)cc2c1=O ZINC000096909272 GD Annotated Anodyne CC1(C)C[C@]2(CCO1)OC(=O)c1c2ccn(CCCN2CCOCC2)c1=O ZINC000096909306 GD Annotated Anodyne CC1(C)C[C@@]2(CCO1)OC(=O)c1c2ccn(CCCN2CCOCC2)c1=O ZINC000096909307 GD Annotated Anodyne CC(C)C[C@@]1(C)OC(=O)c2c1ccn(-c1ccc(S(N)(=O)=O)cc1)c2=O ZINC000096909316 GD Annotated Anodyne CC(C)C[C@]1(C)OC(=O)c2c1ccn(-c1ccc(S(N)(=O)=O)cc1)c2=O ZINC000096909317 GD Annotated Anodyne C/C(O)=N/S(=O)(=O)c1ccc(-n2ccc3c(c2=O)C(=O)OC3(C)C)cc1 ZINC000096909496 GD Annotated Mild CCN(CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]21CCOC(C)(C)C1 ZINC000096909507 GD Annotated Anodyne CCN(CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]21CCOC(C)(C)C1 ZINC000096909508 GD Annotated Anodyne CCN(CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)O[C@]21CCOC(C)(C)C1 ZINC000096909509 GD Annotated Anodyne CCN(CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)O[C@]21CCOC(C)(C)C1 ZINC000096909510 GD Annotated Anodyne O=C1O[C@@H](CNc2ccon2)CN1c1cc(F)c(N2CCNOCC2)c(F)c1 ZINC000096910062 GD Annotated Anodyne CC(=S)NC[C@H]1CN(c2cc(F)c(N3CCNOCC3)c(F)c2)C(=O)O1 ZINC000096910067 GD Annotated Anodyne O=C(O[C@@H]1CSS(=O)(=O)C1)c1ccc(I)cc1 ZINC000096911549 GD Annotated Reactive O=C(O[C@H]1CSS(=O)(=O)C1)c1ccc(I)cc1 ZINC000096911551 GD Annotated Reactive O=C(O[C@@H]1CSS(=O)(=O)C1)c1ccccc1I ZINC000096911554 GD Annotated Reactive O=C(O[C@H]1CSS(=O)(=O)C1)c1ccccc1I ZINC000096911556 GD Annotated Reactive N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(C#CCCO)c(O)cc41)[C@@H]32 ZINC000096916993 GD Annotated Mild COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C(=O)c3ccccc32)cc1 ZINC000096917673 GD Annotated Anodyne O=C(O)CNC(=O)c1ccc(NC(=S)N/N=C2/CC(=O)c3ccccc32)cc1 ZINC000096921923 GD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(=O)NN)cc3)c(F)c2)C(=O)O1 ZINC000096922453 GD Annotated Reactive CC1=C2C[C@@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]2(C)CCC1=O ZINC000096922474 GD Annotated Mild CS(=O)(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1 ZINC000096924149 GD Annotated Anodyne COC(=O)[C@@H](NC(=O)CSc1nnc2sc3ccccc3n12)[C@H](C)O ZINC000096927367 GD Annotated Anodyne COC(=O)[C@@H](NC(=O)CSc1nnc2sc3ccccc3n12)[C@@H](C)O ZINC000096927368 GD Annotated Anodyne COC(=O)[C@H](NC(=O)CSc1nnc2sc3ccccc3n12)[C@H](C)O ZINC000096927369 GD Annotated Anodyne COC(=O)[C@H](NC(=O)CSc1nnc2sc3ccccc3n12)[C@@H](C)O ZINC000096927370 GD Annotated Anodyne COC(=O)C1=C(C(=O)OC)N(c2ccc(O)cc2)CN(c2ccc(O)cc2)C1 ZINC000096927598 GD Annotated Anodyne O=C1NC(=S)N=C(O)/C1=C\NNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000096930165 GD Annotated Clean COc1ccc2c(c1)cc([C@@H]1SC(NC(C)=O)=NN1C(C)=O)c1nnnn12 ZINC000096931753 GD Annotated Anodyne COc1ccc2c(c1)cc([C@H]1SC(NC(C)=O)=NN1C(C)=O)c1nnnn12 ZINC000096931754 GD Annotated Anodyne COc1cccc2cc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)c3nnnn3c12 ZINC000096931763 GD Annotated Anodyne COc1cccc2cc([C@H]3SC(NC(C)=O)=NN3C(C)=O)c3nnnn3c12 ZINC000096931765 GD Annotated Anodyne COc1ccc2cc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)c3nnnn3c2c1 ZINC000096931767 GD Annotated Anodyne COc1ccc2cc([C@H]3SC(NC(C)=O)=NN3C(C)=O)c3nnnn3c2c1 ZINC000096931769 GD Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3cc(Cl)ccc3n3nnnc23)S1 ZINC000096931774 GD Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3cc(Cl)ccc3n3nnnc23)S1 ZINC000096931776 GD Annotated Anodyne N#Cc1c(-c2ccc(Br)cc2)nc(S)n2c(=O)c(O)nnc12 ZINC000096932370 GD Annotated Mild COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCCN)cc(OC)c1C2=O ZINC000096932563 GD Annotated Clean CC(=O)OC[C@@H](CS(=O)(=O)CCC(C)(C)N(Cl)Cl)OC(C)=O ZINC000096933039 GD Annotated Anodyne CC(=O)OC[C@H](CS(=O)(=O)CCC(C)(C)N(Cl)Cl)OC(C)=O ZINC000096933040 GD Annotated Anodyne [N-]=[N+]=N[C@H]1C[C@H](n2cnc3nc(N)nc(OCc4ccccc4)c32)O[C@@H]1CO ZINC000096933211 GD Annotated Clean COc1cc(-c2nc(S)n3c(=O)c(O)nnc3c2C#N)cc(OC)c1OC ZINC000096933716 GD Annotated Mild NC1CCN(Cc2ccc(CNC(=O)c3csc4nc[nH]c(=O)c34)cc2)CC1 ZINC000096933955 GD Annotated Anodyne O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)c1csc2nc[nH]c(=O)c12 ZINC000096933971 GD Annotated Anodyne O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1csc2nc[nH]c(=O)c12 ZINC000096933972 GD Annotated Anodyne O=C(NCc1ccc(CN2CCNCC2)cc1)c1csc2nc[nH]c(=O)c12 ZINC000096933973 GD Annotated Anodyne N[C@H]1CCCN(Cc2ccc(CNC(=O)c3csc4nc[nH]c(=O)c34)cc2)C1 ZINC000096933977 GD Annotated Anodyne N[C@@H]1CCCN(Cc2ccc(CNC(=O)c3csc4nc[nH]c(=O)c34)cc2)C1 ZINC000096933978 GD Annotated Anodyne OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000096934113 GD Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000096934115 GD Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000096934116 GD Annotated Anodyne NCCNC(=O)Cn1nc(N)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 ZINC000096934513 GD Annotated Anodyne Nc1nn(CC(=O)NCCO)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000096934514 GD Annotated Anodyne Nc1nn(CC(=O)NCC(=O)O)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000096934524 GD Annotated Anodyne N#Cc1ccc2c(NCn3cc(CC(=O)N4CCOCC4)nn3)ccnc2c1 ZINC000096934976 GD Annotated Mild NCC[C@@H]1CN([C@H]2N=C3c4c(O)cccc4C(=O)c4cccc(c43)O2)CCO1 ZINC000096937624 GD Annotated Clean NCC[C@@H]1CN([C@@H]2N=C3c4c(O)cccc4C(=O)c4cccc(c43)O2)CCO1 ZINC000096937625 GD Annotated Clean CO/N=C(\N)c1ccc(-c2cncc(-c3ccc(/C(N)=N\OC)cc3)n2)nc1 ZINC000096938473 GD Annotated Mild CO/N=C(\N)c1ccc(-c2cncc(-c3ccc(/C(N)=N\OC)cc3)n2)cn1 ZINC000096938476 GD Annotated Mild CO/N=C(\N)c1ccc(-c2cncc(-c3ccc(/C(N)=N\OC)cn3)n2)nc1 ZINC000096938479 GD Annotated Mild CCOC(=O)Cn1cc(CNCCN2CCN(C)CC2)c(-c2ccccc2C)n1 ZINC000096938547 GD Annotated Anodyne O=C(c1cncc(Br)c1)N1N=C2CCOC[C@@H]2[C@@]1(O)C(F)(F)F ZINC000096938691 GD Annotated Anodyne CO/N=C(\N)c1ccc(-c2cncc(-c3ccc(/C(N)=N\OC)nc3)n2)cn1 ZINC000096938735 GD Annotated Mild O=c1[nH]c(-c2ccc(-c3nnn[nH]3)cc2)c(-c2ccc(-c3nnn[nH]3)cc2)cc1O ZINC000096940257 GD Annotated Anodyne COC(=O)/C(=C/c1ccc(OC)cc1)Cn1nnn(-c2ccc(OC)cc2)c1=O ZINC000098082579 GD Annotated Anodyne COC(=O)/C(=C/c1ccc(F)cc1)Cn1nnn(-c2ccc(OC)cc2)c1=O ZINC000098083096 GD Annotated Anodyne O=C1NC(=S)S[C@@H]1NS(=O)(=O)c1ccc(/N=N/c2ncccn2)cc1 ZINC000098083120 GD Annotated Clean O=C1NC(=S)S[C@H]1NS(=O)(=O)c1ccc(/N=N/c2ncccn2)cc1 ZINC000098083121 GD Annotated Clean Nc1nc2c3c(NCCO)cc(F)cc3nc(Cc3ccc4c(c3)OCO4)n2n1 ZINC000098209023 GD Annotated Anodyne CC1(C)S[C@H]([C@@H](CO)NC(=O)c2c(O)ccc3ccccc23)N[C@H]1C(=O)O ZINC000098209249 GD Annotated Anodyne