COC(=O)C1=NN[C@@]2(c3ccc(C)cc3)C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]12 ZINC000001015129 GE Annotated Anodyne COC(=O)C1=NN[C@]2(c3ccc(C)cc3)C(=O)N(c3cccc(C)c3C)C(=O)[C@H]12 ZINC000001015131 GE Annotated Anodyne CCOC(=O)c1nn(-c2ccccc2F)c2nc(-c3ccco3)c(C#N)c(=O)n12 ZINC000001016931 GE Annotated Mild C=CCN1C(=O)[C@]2(C(C(=O)OCC)=C(N)Oc3ccccc32)C2=C1CCCC2=O ZINC000001049549 GE Annotated Mild C=CCN1C(=O)[C@@]2(C(C(=O)OCC)=C(N)Oc3ccccc32)C2=C1CCCC2=O ZINC000001049551 GE Annotated Mild Cc1ccc(N2NC(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1C ZINC000001216442 GE Annotated Clean CC(C)OC(=O)[C@H]1[C@H](c2cccnc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@@]1(C)O ZINC000001240436 GE Annotated Anodyne COc1ccc(N(CC(=O)NC2CCCC2)C(=O)[C@@H]2CSC(=O)C2)cc1 ZINC000001328281 GE Annotated Anodyne COc1ccc(N(CC(=O)NC2CCCC2)C(=O)[C@H]2CSC(=O)C2)cc1 ZINC000001328284 GE Annotated Anodyne O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1cccnc1)C2)Nc1ccc2c(c1)OCO2 ZINC000001348321 GE Annotated Anodyne OC1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2Cc1nnnn1Cc1ccccc1 ZINC000001348674 GE Annotated Anodyne COc1cc(OC)cc(C(=O)N/N=C2/SCC(=O)N2Cc2ccco2)c1 ZINC000001361562 GE Annotated Reactive O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCN1C(=O)NC1CCCCC1 ZINC000001379361 GE Annotated Anodyne O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCN1C(=O)NC1CCCCC1 ZINC000001379362 GE Annotated Anodyne c1ccc(CCn2nnnc2CN2CCC(n3nnc4ccccc43)CC2)cc1 ZINC000001380522 GE Annotated Anodyne CC(C)Oc1c(C(=O)Nc2nnn[nH]2)[nH]c(Br)c1Br ZINC000001482759 GE Annotated Anodyne CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC(C)C)cn2)CC1 ZINC000001483662 GE Annotated Anodyne O=C1NC(=O)[C@](CC#Cc2ccc(F)cc2)(S(=O)(=O)c2ccccn2)S1 ZINC000001484954 GE Annotated Mild CS(=O)(=O)C1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1 ZINC000001491196 GE Annotated Mild CCCNC(=O)Cn1cc(OC)c(=O)cc1CSc1nc(C)cc(C)n1 ZINC000010255037 GE Annotated Anodyne C[C@H](C=O)/C=C(\O)c1cc([C@H]2CC(=O)C3=C(C[C@@H](O)C=C3O)O2)cc(O)c1O ZINC000100003116 GE Annotated Mild in-vitro biogenic COc1cc(C)cc(OC)c1OC(=O)[C@@H](CCS(C)(=O)=O)N1C=CCCC1 ZINC000100013087 GE Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CCS(C)(=O)=O)N1C=CCCC1 ZINC000100013089 GE Annotated Anodyne C[C@@H]1C(=O)c2nc(CCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034427 GE Annotated Anodyne C[C@H]1C(=O)c2nc(CCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034431 GE Annotated Anodyne O=C(CCc1ccccc1)N[C@@H]1CC[C@@](O)(c2cnc3[nH]c(=O)oc3c2)CC1 ZINC000100071206 GE Annotated Anodyne CCC(=O)CC(=O)c1c(CC(=O)O)cc2c(c1O)C(=O)c1c(O)cccc1C2=O ZINC000100073438 GE Annotated Clean in-vitro CS(=O)(=O)N1[C@H]2CN(CC3CC3)C[C@H]1C2c1ccc(Br)cc1 ZINC000100083241 GE Annotated Anodyne CS(=O)(=O)N1[C@@H]2CN(CC3CC3)C[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000100083244 GE Annotated Anodyne CS(=O)(=O)N1[C@@H]2CN(CC3CC3)C[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000100083249 GE Annotated Anodyne CS(=O)(=O)N1[C@@H]2CN(CC3CC3)C[C@@H]1C2c1ccc(Br)cc1 ZINC000100083251 GE Annotated Anodyne CC(=O)N1[C@@H]2CN(S(C)(=O)=O)C[C@H]1[C@H]2c1ccc(-c2ccc(F)cc2)cc1 ZINC000100083764 GE Annotated Anodyne CS(=O)(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2CC1CC1 ZINC000100085985 GE Annotated Anodyne CS(=O)(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2CC1CC1 ZINC000100087033 GE Annotated Anodyne C[C@H]1C=C[C@@]2(C)CCCC[C@]2(C)[C@H]1C(=O)[C@@H]1C(=O)N2CC[C@H]3C(=O)O[C@@H]1[C@]32O ZINC000100089530 GE Annotated Anodyne in-vitro C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1CC1CCCC1 ZINC000100099498 GE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1CC1CCCC1 ZINC000100102287 GE Annotated Anodyne Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3)cc2)c1 ZINC000100105894 GE Annotated Anodyne Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3)cc2)c1 ZINC000100114096 GE Annotated Anodyne CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C\C(Br)=C\c1ccccc1 ZINC000100151800 GE Annotated Reactive CC1=NNC(=O)[C@H]1CCC(=O)N/N=C\C(Br)=C\c1ccccc1 ZINC000100151807 GE Annotated Reactive COC(=O)[C@@]12C[C@H]3C[C@@H]([C@H](C)O)[C@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000100163022 GE Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@@H]([C@@H](C)O)[C@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000100163025 GE Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000100163028 GE Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H]([C@@H](C)O)[C@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000100163030 GE Annotated Anodyne O=C1[C@@H]2C=C(I)[C@H](C[C@@H]2OCCCCCCO)[C@@]12CO2 ZINC000100264561 GE Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(CO)C2=C1C(=O)[C@@H](C(C)C)C(=O)C2=O ZINC000100269083 GE Annotated Mild CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(CO)C2=C1C(=O)[C@H](C(C)C)C(=O)C2=O ZINC000100269088 GE Annotated Mild CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(CO)C2=C1C(=O)[C@@H](C(C)C)C(=O)C2=O ZINC000100269091 GE Annotated Mild CC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(CO)C2=C1C(=O)[C@H](C(C)C)C(=O)C2=O ZINC000100269093 GE Annotated Mild COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@H]43 ZINC000100297161 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@H]43 ZINC000100297163 GE Annotated Anodyne C[C@]12C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C(=O)NCc1ccco1)O2 ZINC000100306801 GE Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C(=O)NCc1ccco1)O2 ZINC000100306803 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1 ZINC000100368814 GE Annotated Anodyne in-man O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1 ZINC000100368821 GE Annotated Anodyne in-man CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN[C@@H]2C3C[C@H]4C2[C@@H]4C3)o1 ZINC000100369534 GE Annotated Anodyne in-man CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN[C@H]2C3C[C@H]4C2[C@@H]4C3)o1 ZINC000100369538 GE Annotated Anodyne in-man COCC/N=c1\scc(-c2ccco2)n1N/C=C1\C=CC(=O)C(O)=C1O ZINC000100437617 GE Annotated Mild N=[N+]=Nc1ccc(NCCCCCC(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000100445379 GE Annotated Mild COc1cccc(/C=c2/s/c(=C\C(=O)c3ccc(C)cc3)[nH]c2=O)c1OC ZINC000100467994 GE Annotated Anodyne COc1cccc(/C=c2/s/c(=C/C(=O)c3ccc(C)cc3)[nH]c2=O)c1OC ZINC000100468001 GE Annotated Anodyne O=C1C=CC=C/C1=C1/NN=C(SCCN2CCOCC2)N1Cc1ccccc1 ZINC000100479436 GE Annotated Mild Cc1ccc(CN2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 ZINC000100488074 GE Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 ZINC000100488077 GE Annotated Anodyne O=C(/C=C1\NC2(CCCC2)Cc2ccccc21)C(=O)NN/C=C1\C=CC=CC1=O ZINC000100491603 GE Annotated Reactive N#C/C(=N/Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C(N)=S ZINC000100492146 GE Annotated Mild CCSc1nnc(NC(=O)C2=C/C(=C3\C=CC(C)=C(C)C3=O)NN2)s1 ZINC000100505879 GE Annotated Mild Cc1ccc(/N=c2/c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc1F ZINC000100506080 GE Annotated Bother C=CCn1c(O)cc(=O)nc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000100530669 GE Annotated Mild CCOc1ccc(N/C(=C2/C(=O)c3ccccc3N(C)C2=O)c2nn[nH]n2)cc1 ZINC000100550009 GE Annotated Mild COc1ccc2c(c1)[C@]1(N=c3ccccc3=C3Nc4ccccc4N31)C(=O)N2C ZINC000100564648 GE Annotated Anodyne COc1ccc2c(c1)[C@@]1(N=c3ccccc3=C3Nc4ccccc4N31)C(=O)N2C ZINC000100564651 GE Annotated Anodyne O=C1CC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(N2CCOCC2)cc1 ZINC000100625830 GE Annotated Clean COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000100635063 GE Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000100635064 GE Annotated Anodyne O=C(CO)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636790 GE Annotated Anodyne COC(=O)Cc1c(C)nc2nc(NCc3ccc(OC(C)C)cc3)nn2c1O ZINC000100695445 GE Annotated Anodyne CN(C)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100703241 GE Annotated Anodyne CN(C)c1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100703242 GE Annotated Anodyne COC(=O)C[C@H]1c2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@H]1C(=O)OC ZINC000100775744 GE Annotated Clean in-man endogenous COC(=O)C[C@@H]1c2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@H]1C(=O)OC ZINC000100775746 GE Annotated Clean in-man endogenous COC(=O)/C(=C\C1=C(C(=O)O)[C@@]23CCCC(C)(C)[C@@H]2[C@@H](OC3=O)C1=O)C(C)C ZINC000100775957 GE Annotated Mild in-man endogenous COC(=O)/C(=C\C1=C(C(=O)O)[C@@]23CCCC(C)(C)[C@H]2[C@@H](OC3=O)C1=O)C(C)C ZINC000100775962 GE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781442 GE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781445 GE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781447 GE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781450 GE Annotated Mild in-man endogenous C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)[C@H](C)[C@H]2CC[C@H]1[C@H](OC)O2 ZINC000100784074 GE Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)[C@H](C)[C@H]2CC[C@H]1[C@@H](OC)O2 ZINC000100784075 GE Annotated Anodyne in-man endogenous CN1CCN(c2c(F)c(S)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 ZINC000100793864 GE Annotated Anodyne C[n+]1cc2c(O)c(OCC(N)=O)ccc2c2ccc3cc4c(cc3c21)OCO4 ZINC000100826830 GE Annotated Bother C[C@H]1CN(/C(=N/C#N)Oc2ccccc2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F ZINC000100830750 GE Annotated Mild CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCOCC5)c1c4n23 ZINC000100852396 GE Annotated Anodyne COc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 ZINC000100855833 GE Annotated Anodyne COc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000100855838 GE Annotated Anodyne COc1ccc2c(c1)c(C[C@@H]1C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C ZINC000100864910 GE Annotated Anodyne O=C1CNCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 ZINC000100867496 GE Annotated Mild O=C1CNCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 ZINC000100867497 GE Annotated Mild O=C1CNCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 ZINC000100870446 GE Annotated Mild O=C1CNCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 ZINC000100870447 GE Annotated Mild CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@@]34CCN(C[C@H]3O[C@@H]31)[C@@H]24 ZINC000100900140 GE Annotated Anodyne in-vitro COc1ccc(/C(=N/O)c2cccc(NS(=O)(=O)N(C)C)c2)c(OC)c1 ZINC000100914267 GE Annotated Mild C=C1CCO[C@@H]2C(=O)N(Cc3ccccc3)[C@]1(O)C(=O)N2Cc1ccccc1 ZINC000100969896 GE Annotated Mild O=C(CCO)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000100974016 GE Annotated Anodyne CCOCCCNC(=O)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(OC)cc1)C2 ZINC000100982679 GE Annotated Anodyne CCOCCCNC(=O)CN1[C@H]2CC[C@H]1CC(O)(c1ccc(OC)cc1)C2 ZINC000100982687 GE Annotated Anodyne O=C(CN1[C@H]2CC[C@H]1CC(O)(c1cccnc1)C2)Nc1ccc2c(c1)OCO2 ZINC000100984586 GE Annotated Anodyne O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1)C2)Nc1ccc2c(c1)OCO2 ZINC000100984592 GE Annotated Anodyne O=C(NCc1ccco1)c1ccc(CNc2c(N3CCCCC3)c(=O)c2=O)cc1 ZINC000100997999 GE Annotated Anodyne N#CC1=C(N)[C@H]2[C@H](C=C1N)Oc1ccc(Br)cc1[C@@H]2C(C#N)C#N ZINC000101006177 GE Annotated Reactive N#CC1=C(N)[C@@H]2[C@H](C(C#N)C#N)c3cc(Br)ccc3O[C@H]2C=C1N ZINC000101006179 GE Annotated Reactive N#CC1=C(N)[C@@H]2[C@H](C=C1N)Oc1ccc(Br)cc1[C@@H]2C(C#N)C#N ZINC000101006181 GE Annotated Reactive N#CC1=C(N)[C@H]2[C@H](C(C#N)C#N)c3cc(Br)ccc3O[C@H]2C=C1N ZINC000101006183 GE Annotated Reactive O=C(O)c1cn(-c2ccc(O)cc2)c2cc(N3C[C@@H]4C[C@@H]3CN4)c(F)cc2c1=O ZINC000101013007 GE Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000101013424 GE Annotated Anodyne O=C(O)[C@@]1(OCc2cccc(-c3cc4ccccc4o3)c2)C[C@@H](O)[C@H](O)[C@H](O)C1 ZINC000101025996 GE Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000101027952 GE Annotated Bother O=C1[C@@H]2[C@@H](C(=O)N1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2C1 ZINC000101027953 GE Annotated Bother CC(C)Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101033620 GE Annotated Anodyne C#CCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101035798 GE Annotated Mild O=C(NCC#CCN1C[C@H]2C[C@@H]2C1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000101036801 GE Annotated Mild O=C(NCC#CCN1C[C@@H]2C[C@H]2C1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000101036802 GE Annotated Mild C[C@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1 ZINC000101064679 GE Annotated Anodyne C[C@@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1 ZINC000101064681 GE Annotated Anodyne C[C@H](C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)N1CC(Oc2ccccc2F)C1 ZINC000101064684 GE Annotated Anodyne C[C@@H](C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)N1CC(Oc2ccccc2F)C1 ZINC000101064689 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccccc1Br ZINC000101069492 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1 ZINC000101073191 GE Annotated Anodyne CC[C@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1 ZINC000101074030 GE Annotated Anodyne CC[C@@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1 ZINC000101074033 GE Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000101075988 GE Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000101075995 GE Annotated Anodyne COC(=O)C(=O)CC(=O)c1ccc(-c2ccccc2C(=O)OC)c([N+](=O)[O-])c1 ZINC000101080805 GE Annotated Bother CCCCN1C(=O)[C@H](C)S/C1=N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000101084840 GE Annotated Mild CCCCN1C(=O)[C@@H](C)S/C1=N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000101084841 GE Annotated Mild O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/N=C1/SCC(=O)N1c1ccccc1 ZINC000101085379 GE Annotated Mild CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C ZINC000101092383 GE Annotated Anodyne CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@H]2C[C@@H]3CC[C@@H]2C3)c1C ZINC000101092388 GE Annotated Anodyne O=NN(CCCl)C(=O)N[C@@H]1CC[C@@H](NC(=O)N(CCCl)N=O)CC1 ZINC000101106011 GE Annotated Reactive COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@H](C=C[C@]12CO)[C@]43O ZINC000101131782 GE Annotated Anodyne COc1ccc(CN2Cc3c([nH]c4cc(-c5ccco5)nn4c3=O)C2=O)cc1 ZINC000101161615 GE Annotated Anodyne CCc1c(C)cc2c(c1O)C(=O)[C@H]1O[C@](C)(C(=O)OC)C(=O)C(C)(C)[C@@H]1C2=O ZINC000101164562 GE Annotated Clean CCc1c(C)cc2c(c1O)C(=O)[C@@H]1O[C@](C)(C(=O)OC)C(=O)C(C)(C)[C@@H]1C2=O ZINC000101164568 GE Annotated Clean in-vivo CCc1c(C)cc2c(c1O)C(=O)[C@@H]1O[C@](C)(C(=O)OC)C(=O)C(C)(C)[C@H]1C2=O ZINC000101164578 GE Annotated Clean in-vivo CS(=O)(=O)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000101233860 GE Annotated Anodyne O=C(NCc1cccs1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000101242273 GE Annotated Anodyne O=C(NCc1cccs1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000101242277 GE Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000101242290 GE Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000101242294 GE Annotated Anodyne Cc1ccc(CN2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 ZINC000101242757 GE Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000101354151 GE Annotated Anodyne COC1(C(=N)/C=C(\O)OCc2ccc3c(c2)OCC(=O)N3C)CCOCC1 ZINC000101357033 GE Annotated Anodyne CNC1=CC(=O)c2c(cc(C/C=C/CO)c([C@@H](O)c3ccccc3)c2OC)C1=O ZINC000101361961 GE Annotated Mild C[C@H]1CNCCN1c1nc2c(C(=O)NC3C[C@H]4CCC[C@H](C3)N4C)cccc2o1 ZINC000101372684 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1cccc(Br)c1 ZINC000101390651 GE Annotated Anodyne C=CC(=O)O[C@H]1[C@@H]2C(C)(C)C=CC(=O)[C@]23CO[C@]1(O)[C@@]12C[C@@H](CC[C@@H]31)C(=C)C2=O ZINC000101397335 GE Annotated Mild COc1ccccc1NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@@]23C=C[C@H]1O3 ZINC000101411537 GE Annotated Anodyne COc1ccccc1CN1Cc2c([nH]c3cc(-c4ccco4)nn3c2=O)C1=O ZINC000101448259 GE Annotated Anodyne O=C(Nc1cncc(O)c1)[C@@H]1CC[C@@H](N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)CC1 ZINC000101472775 GE Annotated Anodyne COC1=C(c2ccc(OC)cc2)O[C@@H]2C(=C1O)C(=O)C(OC)=C(OC)[C@H]2OC ZINC000101477928 GE Annotated Mild COC1=C(c2ccc(OC)cc2)O[C@H]2C(=C1O)C(=O)C(OC)=C(OC)[C@H]2OC ZINC000101477930 GE Annotated Mild COC1=C(c2ccc(OC)cc2)O[C@@H]2C(=C1O)C(=O)C(OC)=C(OC)[C@@H]2OC ZINC000101477933 GE Annotated Mild COC1=C(c2ccc(OC)cc2)O[C@H]2C(=C1O)C(=O)C(OC)=C(OC)[C@@H]2OC ZINC000101477936 GE Annotated Mild COc1c(OC)c(OC)c2c(c1OC)c(=O)c1ccc(O)c(OC)c1n2C ZINC000101481005 GE Annotated Bother COc1cc(-c2cn([C@H]3C(=O)N[C@H]4CC[C@H]3C4)nn2)ccc1-n1cnc(C)c1 ZINC000101504723 GE Annotated Anodyne COc1cc(-c2cn([C@@H]3C(=O)N[C@H]4CC[C@H]3C4)nn2)ccc1-n1cnc(C)c1 ZINC000101504725 GE Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1 ZINC000101549960 GE Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1 ZINC000101549966 GE Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1 ZINC000101549975 GE Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1 ZINC000101549982 GE Annotated Anodyne O=C1[C@H]2C=C(I)[C@@H](C[C@@H]2OCCCCCCO)[C@]12CO2 ZINC000101614780 GE Annotated Anodyne O=C1[C@H]2C=C(I)[C@@H](C[C@H]2OCCCCCCO)[C@]12CO2 ZINC000101614788 GE Annotated Anodyne O=C1[C@H]2C=C(I)[C@@H](C[C@@H]2OCCCCO)[C@]12CCCO2 ZINC000101614800 GE Annotated Anodyne O=C1[C@H]2C=C(I)[C@@H](C[C@H]2OCCCCO)[C@]12CCCO2 ZINC000101614809 GE Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@]1(C)[C@](OC(=O)c4ccccc4)(OC[C@]21C)[C@@H]3O ZINC000101623293 GE Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@]13CC(=O)[C@]1(C)[C@](OC(=O)c4ccccc4)(OC[C@]21C)[C@@H]3O ZINC000101623296 GE Annotated Anodyne CNC(=O)c1cn2c(-c3ccc([N+](=O)[O-])cc3)nc3c(NC)c(F)cc(c1=O)c32 ZINC000101633921 GE Annotated Bother O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)N1CCOCC1 ZINC000101640557 GE Annotated Anodyne CNC(=O)/C=C1/COc2c1ccc(OS(=O)(=O)CCC(F)(F)F)c2C ZINC000101662716 GE Annotated Anodyne CNC(=O)/C=C1/COc2c1ccc(OS(=O)(=O)c1ccc(OC)cc1)c2C ZINC000101662723 GE Annotated Anodyne CNC(=O)/C=C1/COc2c1ccc(OS(=O)(=O)c1ccc(C#N)cc1)c2C ZINC000101662730 GE Annotated Mild CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3ccc(C(C)=O)cc3)ccc21 ZINC000101662744 GE Annotated Anodyne O=C1[C@@]2(CO2)[C@@H]2C[C@@H](c3ccccc3)[C@]1(CO)C=C2I ZINC000101672744 GE Annotated Anodyne O=C1[C@@]2(CO2)[C@@H]2C[C@H](c3ccccc3)[C@]1(CO)C=C2I ZINC000101672747 GE Annotated Anodyne NCCCNCCCNCCCNC1=CC(=O)c2cc3ccccc3cc2C1=O ZINC000101708939 GE Annotated Mild C=C[C@@]1(C)CC[C@H]2[C@](C)(C(=O)OC)[C@H]3C=C4C=C(OC)OC(=O)[C@@H]1[C@@]42OC3=O ZINC000101709032 GE Annotated Mild CC(C)(C)NC(=O)C1CCC(C/N=c2/c(N3CCCCC3)c(O)c2=O)CC1 ZINC000101713370 GE Annotated Anodyne CO/C(O)=C1\C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)cc1 ZINC000101738154 GE Annotated Anodyne CO/C(O)=C1\C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)cc1 ZINC000101738160 GE Annotated Anodyne COCC(=O)NC1C[C@@H]2CC[C@@H](C1)N2/C(S)=N/c1ccccc1C(=O)OC ZINC000101759698 GE Annotated Mild C=CCn1c(SCC(=O)N2CCOCC2)nc2c3ccccc3nc-2c1O ZINC000101804136 GE Annotated Mild COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCC(OC(C)=O)CC1)=N2 ZINC000101805659 GE Annotated Anodyne COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCC(OC(C)=O)CC1)=N2 ZINC000101805664 GE Annotated Anodyne CCCCNC(=O)C1CCC(C/N=c2/c(N3CCC(C)CC3)c(O)c2=O)CC1 ZINC000101828015 GE Annotated Anodyne CC(C)C(=O)N1CCN(CC/N=C/C2=C(O)C[C@H](c3ccco3)CC2=O)CC1 ZINC000101834587 GE Annotated Mild O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 ZINC000101873284 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 ZINC000101873290 GE Annotated Anodyne CN(C)c1ccc(-c2cn3c(=O)c4ncn([C@H]5C=C[C@@H](CO)C5)c4nc3[nH]2)cc1 ZINC000101882678 GE Annotated Anodyne CC(C)CCNC(=O)C1CCC(C/N=c2/c(N3CCCC3)c(O)c2=O)CC1 ZINC000101899334 GE Annotated Anodyne O=C1Nn2c(nc3c(c2=O)CCCC3)/C1=N/Nc1cccc(C(F)(F)F)c1 ZINC000101902178 GE Annotated Mild COc1ccc(-n2c(O)cc(=O)nc2SCC(=O)N2CCCCC2)cc1 ZINC000101909131 GE Annotated Anodyne CC1CCN(CCCNC(=O)Cn2ncc3c4ccccc4nc-3c2O)CC1 ZINC000101912500 GE Annotated Anodyne COC1=C(C/C=C(\C)CCC=C(C)C)C(=O)C2=C(C1=O)S(=O)(=O)CCN2 ZINC000101947697 GE Annotated Mild COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCO)(C2)[C@H]13 ZINC000101966733 GE Annotated Anodyne COc1ccc(-c2cn3c(=O)c4ncn([C@H]5C=C[C@@H](CO)C5)c4nc3[nH]2)cc1 ZINC000101970449 GE Annotated Anodyne C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O ZINC000102001551 GE Annotated Anodyne C[C@@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O ZINC000102001554 GE Annotated Anodyne COc1ccc(CCNC(=O)c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-])cc1 ZINC000102006805 GE Annotated Anodyne O=C(NCCc1ccccc1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000102009098 GE Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000102009105 GE Annotated Anodyne N#Cc1ccc(Nc2ncnc3c(=N)n(NC(=O)c4ccccc4)cnc23)cc1 ZINC000102072897 GE Annotated Mild C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC[C@@]5([C@@H](OCC)O4)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O ZINC000102075957 GE Annotated Mild O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000102124644 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2 ZINC000102124647 GE Annotated Anodyne COc1ccc(Nc2ncnc3c(=N)n(NC(=O)c4ccco4)cnc23)cc1 ZINC000102126089 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000102127603 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000102127605 GE Annotated Anodyne O=C(NCc1cccs1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000102127614 GE Annotated Anodyne O=C(NCc1cccs1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000102127620 GE Annotated Anodyne O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1Cc1ccc2c(c1)OCO2 ZINC000102168923 GE Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@@H](CC1=O)C(C)(C)[C@H]2[C@H](OC(C)=O)C3=O ZINC000102178681 GE Annotated Mild O=C(O)c1c(=O)c2cc(F)c(N3CCNCC3)cc2n2c1oc1ccccc12 ZINC000102215428 GE Annotated Bother O=C(O)c1c(=O)c2cc(F)c(N3CCOCC3)c3c2n2c(csc12)CO3 ZINC000102220991 GE Annotated Anodyne Cc1c(C(=O)NCc2ccc(Br)cc2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000102238005 GE Annotated Anodyne O=C(Cc1ccccc1)NS(=O)(=O)c1ccc(/N=N\N2CCOCC2)cc1 ZINC000102251621 GE Annotated Clean CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)cc1 ZINC000102355428 GE Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)cc1 ZINC000102355433 GE Annotated Anodyne OC1(c2cccnc2)C[C@H]2CC[C@H](C1)N2Cc1nnnn1Cc1ccccc1 ZINC000102359639 GE Annotated Anodyne OC1(c2cccnc2)C[C@@H]2CC[C@@H](C1)N2Cc1nnnn1Cc1ccccc1 ZINC000102359647 GE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@@H]43 ZINC000102382211 GE Annotated Anodyne NC(=O)c1ccc(-c2cnn(CC(=O)Nc3ccnn3-c3ccccc3)c2)o1 ZINC000102581454 GE Annotated Anodyne CCOc1ccc(/N=C(\c2nn[nH]n2)c2c(O)c3ccccc3n(C)c2=O)cc1 ZINC000102738722 GE Annotated Mild CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ncc3c4ccccc4nc-3c2O)C1 ZINC000102743380 GE Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)Cn2ncc3c4ccccc4nc-3c2O)C1 ZINC000102743385 GE Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)CCC[C@H]1C)O2 ZINC000102749930 GE Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ncc3c4cc(C)ccc4nc-3c2O)C1 ZINC000102752941 GE Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)Cn2ncc3c4cc(C)ccc4nc-3c2O)C1 ZINC000102752942 GE Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]3[C@@H]1C(=O)NCc1ccco1)O2 ZINC000102777805 GE Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]3[C@H]1C(=O)NCc1ccco1)O2 ZINC000102777810 GE Annotated Anodyne CC1=C(Sc2cccc(Br)c2)[C@H](COCCO)C(=O)NC1=O ZINC000102807484 GE Annotated Anodyne CC1=C(Sc2cccc(Br)c2)[C@@H](COCCO)C(=O)NC1=O ZINC000102807488 GE Annotated Anodyne CC1=C(Sc2cccc(C(F)(F)F)c2)[C@H](COCCO)C(=O)NC1=O ZINC000102809881 GE Annotated Anodyne CC1=C(Sc2cccc(C(F)(F)F)c2)[C@@H](COCCO)C(=O)NC1=O ZINC000102809882 GE Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@](C)(NC(=O)[C@@H]1S(=O)(=O)c1ccc(F)cc1)O2 ZINC000102868896 GE Annotated Anodyne O=C(O)c1cc(NC2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O)ccc1O ZINC000102932496 GE Annotated Mild COC(=O)c1cc(N/C=C2/C(=O)Oc3ccccc3C2=O)cc(C(=O)OC)c1 ZINC000102938619 GE Annotated Mild C1=CC=C2NCCOCC/N=C3/C=CC=CC=C3NCCOCC/N=C\2C=C1 ZINC000102950067 GE Annotated Clean Cc1ccc(S(=O)(=O)N[C@H]2C(=O)c3ccccc3C(=O)[C@H]2n2ccnc2)cc1 ZINC000102956314 GE Annotated Clean Cc1ccc(S(=O)(=O)N[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2n2ccnc2)cc1 ZINC000102956317 GE Annotated Clean Cc1ccc(S(=O)(=O)N[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2n2ccnc2)cc1 ZINC000102956319 GE Annotated Clean CCS[C@@]12O[C@@]3(CCCCCN3C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000102964826 GE Annotated Anodyne CCS[C@@]12O[C@@]3(CCCCCN3C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000102964828 GE Annotated Anodyne CCOC(=O)[C@]12CC[C@@](c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC ZINC000102966507 GE Annotated Anodyne CCOC(=O)[C@@]12CC[C@](c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC ZINC000102966509 GE Annotated Anodyne CCn1c(-c2ccc(C)cc2)cs/c1=N\C(P(=O)(O)O)P(=O)(O)O ZINC000102966515 GE Annotated Anodyne COc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 ZINC000102978847 GE Annotated Anodyne O=C1C=C(NCCNc2ccccc2)C(=O)C=C1NCCNc1ccccc1 ZINC000102996802 GE Annotated Mild CC(=O)OC[C@]12Oc3cccc(O)c3C(=O)C1=C(O)C[C@@H](C)[C@H]2OC(C)=O ZINC000103001029 GE Annotated Mild CC[C@H]1CC[C@@]2(C)CN(CC)[C@@H]3[C@@H]4[C@@H](O)[C@H]2[C@@]13[C@@H]1C[C@@H]2CC[C@@]4(O)[C@H]1C(=O)O2 ZINC000103016903 GE Annotated Anodyne CCC/C(=N\OCC)C1=C(O)C[C@@](O)(C[C@@H](C)S(=O)(=O)CC)CC1=O ZINC000103057198 GE Annotated Mild CCC/C(=N\OCC)C1=C(O)C[C@](O)(C[C@H](C)S(=O)(=O)CC)CC1=O ZINC000103057201 GE Annotated Mild NC(=O)c1cc([N+](=O)[O-])ccc1CO[P@](N)(=O)N(CCCl)CCCl ZINC000103070568 GE Annotated Reactive Cc1[nH]c(C(=O)O)c2c1-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2 ZINC000103073113 GE Annotated Anodyne COc1cccc([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000103098083 GE Annotated Mild COc1cccc([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000103098086 GE Annotated Mild C[C@@H]1NS(=O)(=O)[C@H]2C[C@H]3C=C[C@]2(O3)[C@H]1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000103109078 GE Annotated Anodyne CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@@]34C[C@H]5O[C@H]6C[C@@]1([C@@H](O6)O3)[C@@]24[C@H]5Br ZINC000103110878 GE Annotated Unstable COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)c1 ZINC000103115840 GE Annotated Mild COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)c1 ZINC000103115845 GE Annotated Mild Fc1ccc(CN2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1 ZINC000103119179 GE Annotated Anodyne O=C(O)CNC(=O)c1ccc(NC(=S)N/N=C2/CCc3ccccc32)cc1 ZINC000103141827 GE Annotated Mild N#Cc1c(NC(=O)c2cccs2)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000103147725 GE Annotated Mild O=C1C=C(NCc2cn(-c3cccc([N+](=O)[O-])c3)nn2)C(=O)c2ccccc21 ZINC000103154283 GE Annotated Mild COC(=O)C1=C[C@@H]2C3=C(NCCN(C)C)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000103159091 GE Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(NCCN(C)C)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000103159093 GE Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCN(C)C)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000103159095 GE Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCN(C)C)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000103159096 GE Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(NCCCN(C)C)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000103159099 GE Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(NCCCN(C)C)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000103159102 GE Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCN(C)C)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000103159104 GE Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCN(C)C)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000103159105 GE Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(NCCCCN)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000103164709 GE Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(NCCCCN)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000103164710 GE Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCCN)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000103164713 GE Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCCN)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000103164714 GE Annotated Anodyne CN(C)CCCNC1=C2C(=N[C@H]3C=CC(C(=O)O)=C[C@H]23)N(C)c2ccccc21 ZINC000103165873 GE Annotated Anodyne CN(C)CCCNC1=C2C(=N[C@@H]3C=CC(C(=O)O)=C[C@H]23)N(C)c2ccccc21 ZINC000103165876 GE Annotated Anodyne CN(C)CCCNC1=C2C(=N[C@H]3C=CC(C(=O)O)=C[C@@H]23)N(C)c2ccccc21 ZINC000103165879 GE Annotated Anodyne CN(C)CCCNC1=C2C(=N[C@@H]3C=CC(C(=O)O)=C[C@@H]23)N(C)c2ccccc21 ZINC000103165882 GE Annotated Anodyne COc1cc(OC)nc([C@H](O)c2ccccc2NS(=O)(=O)C/C=C/Cl)n1 ZINC000103168998 GE Annotated Anodyne COc1cc(OC)nc([C@@H](O)c2ccccc2NS(=O)(=O)C/C=C/Cl)n1 ZINC000103169000 GE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000103175792 GE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N12 ZINC000103178689 GE Annotated Anodyne CCCO[C@@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@@]1(C)O ZINC000103185908 GE Annotated Anodyne CCCO[C@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@@]1(C)O ZINC000103185910 GE Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](OC(C)C)[C@@](C)(O)N1C ZINC000103185912 GE Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](OC(C)C)[C@@](C)(O)N1C ZINC000103185914 GE Annotated Anodyne N[C@@H](CCC(=O)n1c(-c2cc(F)cc(F)c2)nc2ccccc2c1=O)C(=O)O ZINC000103189262 GE Annotated Anodyne N[C@H](CCC(=O)n1c(-c2cc(F)cc(F)c2)nc2ccccc2c1=O)C(=O)O ZINC000103189264 GE Annotated Anodyne COc1ncc(F)c2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12 ZINC000103193992 GE Annotated Anodyne N[C@@H](CCC(=O)n1c(-c2cc(F)ccc2F)nc2ccccc2c1=O)C(=O)O ZINC000103194734 GE Annotated Anodyne N[C@H](CCC(=O)n1c(-c2cc(F)ccc2F)nc2ccccc2c1=O)C(=O)O ZINC000103194738 GE Annotated Anodyne COc1nc(F)cc2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12 ZINC000103195663 GE Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(/C=C/C(=O)N(C)C)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103197521 GE Annotated Reactive O=C1N/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S/C1=C\c1ccccn1 ZINC000103199013 GE Annotated Mild Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2sccc2COCCF)n1 ZINC000103199158 GE Annotated Anodyne CCn1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)c2ccc(C)nc21 ZINC000103201001 GE Annotated Reactive CCCC[C@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O ZINC000103203590 GE Annotated Anodyne CCCC[C@@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O ZINC000103203592 GE Annotated Anodyne COC(=O)CO/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000103205273 GE Annotated Mild Cc1nc(C)n(O)c1C(=O)c1ccc(S(C)(=O)=O)c(C2=NOCC2)c1Cl ZINC000103205317 GE Annotated Anodyne O=c1c2cnn(-c3ccccc3)c2nc2sc(CNCc3ccco3)nn12 ZINC000103218671 GE Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1cc(Br)no1)SC ZINC000103220922 GE Annotated Reactive CCn1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(=O)c2ccc(C)nc21 ZINC000103222714 GE Annotated Reactive CCn1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(=O)c2ccc(C)nc21 ZINC000103222717 GE Annotated Reactive COc1ccc(C(=N)N)cc1-c1cc(-c2ccc(C(=N)N)cc2[N+](=O)[O-])no1 ZINC000103224355 GE Annotated Bother COc1c(/C(N)=N/O)cccc1-c1cc(-c2cccc(/C(N)=N/O)c2OC)on1 ZINC000103226120 GE Annotated Mild COc1cc(/C(N)=N/O)ccc1-c1cc(-c2ccc(/C(N)=N/O)cc2OC)on1 ZINC000103226134 GE Annotated Mild N/C(=N\O)c1ccc(-c2cc(-c3cc(/C(N)=N/O)ccc3[N+](=O)[O-])no2)cc1 ZINC000103226151 GE Annotated Mild CCN(CC(=O)Cc1c(F)cccc1F)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000103230311 GE Annotated Anodyne COc1ccc(-c2c(C(N)=O)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000103230362 GE Annotated Anodyne O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)CN(CCCO)C3=O)s1 ZINC000103231575 GE Annotated Anodyne [C-]#[N+]C(=C)[C@@](Cc1ccc(OC)cc1)([N+]#[C-])[C@@H]1C[C@@H](OC(=O)CO)CC[C@@H]1O ZINC000103233622 GE Annotated Reactive [C-]#[N+]C(=C)[C@@](Cc1ccc(OC)cc1)([N+]#[C-])[C@H]1C[C@@H](OC(=O)CO)CC[C@@H]1O ZINC000103233624 GE Annotated Reactive C/C=C/[C@@H]1C=C[C@@H]2C[C@@](C)(O)CC[C@H]2[C@]1(C)C(=O)C1=C(O)[C@H](CO)N(C)C1=O ZINC000103234096 GE Annotated Mild CC(=O)c1nnn(-c2cnn(Cc3ccccc3)c(=O)c2Br)c1C ZINC000103235300 GE Annotated Anodyne CCOC(=O)C(=O)N[C@@H]1C(=O)N(c2ccc(C)cc2)[C@@H]1/C=C/c1ccccc1 ZINC000103236285 GE Annotated Anodyne CC(=O)N1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O ZINC000103237725 GE Annotated Anodyne O=C1CC[C@@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)N1 ZINC000103239939 GE Annotated Anodyne O=C1CC[C@@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccc(F)c2)N1 ZINC000103239947 GE Annotated Anodyne COc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCC(=O)N2)c1 ZINC000103239957 GE Annotated Anodyne CC(C)N1CCN(C(=O)N2CC[C@]3(CCCN(C4CCOCC4)C3)C2)CC1 ZINC000103243060 GE Annotated Anodyne CC(C)N1CCN(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3)C2)CC1 ZINC000103243061 GE Annotated Anodyne CC(C)N1CCN(C(=O)N2CCC3(CCN(C4CCOCC4)CC3)C2)CC1 ZINC000103243064 GE Annotated Anodyne O=C([C@@H]1CC12CCN(C1CCOCC1)CC2)N1CCCN(C2CCC2)CC1 ZINC000103244092 GE Annotated Anodyne O=C([C@H]1CC12CCN(C1CCOCC1)CC2)N1CCCN(C2CCC2)CC1 ZINC000103244094 GE Annotated Anodyne O=C([C@@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(c2ccncc2)CC1 ZINC000103244096 GE Annotated Anodyne O=C([C@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(c2ccncc2)CC1 ZINC000103244099 GE Annotated Anodyne O=C(O)/C=C/c1cccc(N2CCN(c3cccc(/C=C/C(=O)O)n3)C2=O)n1 ZINC000103246186 GE Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1sc(OCCO)nc1C1CC1 ZINC000103246881 GE Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OCCO)nc1C1CC1 ZINC000103246889 GE Annotated Anodyne C[N+]1(CCCS(=O)(=O)Cc2ccc(Br)cc2)CCOCC1 ZINC000103249161 GE Annotated Bother CCC(CC)C(=O)Nc1cc(NC(=O)N[C@H](CC)CO)ccc1OCC(=O)O ZINC000103250986 GE Annotated Anodyne CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1O[C@H]1CCOC[C@@H]12 ZINC000103253358 GE Annotated Mild C=CC(=O)Nc1ccnc(Sc2c(OC)nc(N3CCCC3)nc2OC)n1 ZINC000103253578 GE Annotated Anodyne Nc1ccccc1CN1C(=O)c2cccc3cc(S(=O)(=O)O)cc(c23)C1=O ZINC000103254253 GE Annotated Anodyne C/C=C/C(=O)Nc1ccnc(Sc2c(C)nc(N3CCN(C)CC3)nc2C)n1 ZINC000103254921 GE Annotated Anodyne C=C(C)C(=O)Nc1ccnc(Sc2c(C)nc(N3CCN(C)CC3)nc2C)n1 ZINC000103254923 GE Annotated Mild CCC(=O)Nc1ccnc(Sc2c(C)nc(N3CCN(C)CC3)nc2C)n1 ZINC000103254972 GE Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc3ncnn3c2)c(F)c1 ZINC000103255141 GE Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccn3ncnc3c2)c(F)c1 ZINC000103255145 GE Annotated Anodyne CCOC(=O)[C@@H]1Cc2cn(cn2)C/C=C/COc2ccc(Cl)c(c2)C(=O)N1 ZINC000103258293 GE Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2ccc([N+](=O)[O-])c1c2 ZINC000103260906 GE Annotated Bother O=C1N[C@H](C(=O)O)Cc2ccc(nc2)OC/C=C/COc2ccc(Cl)c1c2 ZINC000103260915 GE Annotated Anodyne O=C1N[C@@H](C(=O)O)CCc2cn(cn2)C/C=C/COc2ccc(Cl)c1c2 ZINC000103260953 GE Annotated Anodyne O=C1N[C@H](C(=O)O)CCc2cn(cn2)C/C=C/COc2ccc(Cl)c1c2 ZINC000103260955 GE Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(cn2)CC/C=C/COc2ccc(Cl)c1c2 ZINC000103260963 GE Annotated Anodyne Cc1cc(CNC(=O)c2nn(C)c3nc(OCc4ccccn4)ccc23)on1 ZINC000103261385 GE Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccc4nnnn4c3)c(=O)n(C(C)C)c2s1 ZINC000103263636 GE Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n([C@@H](C)C(=O)O)c2s1 ZINC000103263645 GE Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n([C@H](C)C(=O)O)c2s1 ZINC000103263646 GE Annotated Anodyne Cc1ccc2c(c1)C(=O)C(=O)N2CCn1cc(COc2ccc(C=O)cc2)nn1 ZINC000103265208 GE Annotated Anodyne COC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103265394 GE Annotated Anodyne C[C@H]1CNCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1 ZINC000103266989 GE Annotated Anodyne COCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCOC)[C@@H]23)OCO5 ZINC000103268997 GE Annotated Anodyne O[C@@H]1[C@@H](OCc2cccnc2)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000103269012 GE Annotated Anodyne COC(=O)c1ccc2nc(SC)c(S(=O)(=O)c3ccccc3)c(=N)n2c1 ZINC000103270610 GE Annotated Anodyne Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)o1 ZINC000103278122 GE Annotated Bother O=C(O)[C@@H]1C[C@H]2C[C@@H](Nc3cccc(Cl)c3-c3nnn[nH]3)CC[C@H]2CN1 ZINC000103279918 GE Annotated Anodyne CCCc1nccn1[C@@H](CC(=O)OCC)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103280061 GE Annotated Anodyne CCCc1nccn1[C@H](CC(=O)OCC)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103280063 GE Annotated Anodyne Cc1nn(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)c(C)c1Cl ZINC000103280306 GE Annotated Anodyne Cc1nn(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)c(C)c1Cl ZINC000103280310 GE Annotated Anodyne C=C1C[C@](Cn2nc(C)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000103282165 GE Annotated Mild C=C1C[C@@](Cn2nc(C)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000103282166 GE Annotated Mild Cc1ccc2nc(Nc3ncccc3C(=O)N3CCN(CCO)CC3)sc2c1 ZINC000103284525 GE Annotated Anodyne C/C=C1\CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@H](OC)C(=O)N(c4ccccc42)[C@@H]13 ZINC000103289264 GE Annotated Anodyne C/C(=N\n1c(N)cc(N)c(C#N)c1=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291508 GE Annotated Mild CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C(=O)N2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103292257 GE Annotated Anodyne CO[C@H]1[C@@H]([C@H]2CC(=O)N(c3ccc(Cl)cc3)C(=O)N2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103297143 GE Annotated Anodyne CN1C[C@H](CNC(=O)[C@@H]2CCCCN2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297420 GE Annotated Clean CN1C[C@H](CNC(=O)[C@H]2CCCCN2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297422 GE Annotated Clean CN1C[C@H](CNC(=O)c2cnccn2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297434 GE Annotated Clean CN1C[C@H](CNC(=O)c2ccncn2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297438 GE Annotated Clean O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)cc2c1Nc1ccccc1O2 ZINC000103299705 GE Annotated Bother FC(F)Oc1ccc(-c2nnc3cncc(CCN4CCOCC4)n23)cc1 ZINC000103303065 GE Annotated Anodyne CCc1cnn2c(NCc3ccc[n+](O)c3)cc(N3CCCC[C@H]3CCO)nc12 ZINC000103522275 GE Annotated Anodyne CNC(=N)N1C=CC[C@]23[C@@H]4CC[C@@](C)(CC[C@@H]12)[C@]31C[C@@](O)(C=O)C(C(=O)O)=C1C4 ZINC000103524857 GE Annotated Mild in-vitro biogenic CN(CCNC(=O)Cn1ncc2c3ccccc3nc-2c1O)Cc1ccccc1 ZINC000103536277 GE Annotated Anodyne C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000103539035 GE Annotated Mild C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000103539043 GE Annotated Mild Cc1c(-c2ccnc(/N=C3/C=CC(N4CCNCC4)=CC3)n2)sc(=O)n1C ZINC000103561920 GE Annotated Mild CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@@H](C)[C@H]2[C@H]1O ZINC000103565563 GE Annotated Anodyne in-vitro biogenic CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@@H](C)[C@H]2[C@@H]1O ZINC000103565569 GE Annotated Anodyne in-vitro biogenic CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2C2=C3N(CCCC[C@@]31O)[C@H]([C@@H]1C[C@H](C)C(=O)O1)C2 ZINC000103571220 GE Annotated Anodyne in-vitro biogenic COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@H](O)C[C@H]4C(C)=C(O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000103584497 GE Annotated Mild in-vitro biogenic CC[C@@H]1C2=C3[C@@H]4[C@@H](OC(=O)[C@@H](C)[C@@H]4[C@H]1O)[C@@H]([C@H]1C[C@H](C)C(=O)O1)N3CCCC2 ZINC000103584781 GE Annotated Anodyne in-vitro biogenic CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@]32OC(=O)[C@@H](C)[C@H]2[C@@H]1O ZINC000103584784 GE Annotated Anodyne in-vitro biogenic C[C@]1(O)C[C@]23CC[C@H]1C[C@@H]2[C@@]12CCC[C@@]4(C)[C@H]5OCCN5[C@@H]1O[C@H]3[C@@H](O)[C@H]42 ZINC000103586136 GE Annotated Anodyne in-vitro biogenic COc1ccc(-n2c(SCC(=O)N3CCCC3)nc3nnc(C)c-3c2N)cc1 ZINC000103623211 GE Annotated Anodyne CC1CCN(C(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)CC1 ZINC000103693949 GE Annotated Anodyne CCc1nc2nc(C)c(NS(=O)(=O)c3ccc(CC(C)C)cc3)c(=O)n2[nH]1 ZINC000103695800 GE Annotated Anodyne Cc1nc2nc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)n2[nH]1 ZINC000103695858 GE Annotated Anodyne O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCCCC1 ZINC000103702874 GE Annotated Anodyne COCCCN(Cc1ccco1)C(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O ZINC000103711187 GE Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1 ZINC000103711310 GE Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1/C=C1/C(=O)NN(c2ccc(F)cc2)C1=O ZINC000103757475 GE Annotated Clean O=C1CCCC(NCCCCCCNC2=C([N+](=O)[O-])C(=O)CCC2)=C1[N+](=O)[O-] ZINC000103766724 GE Annotated Mild Cc1nc2nc(C)c(NS(=O)(=O)c3ccc(CC(C)C)cc3)c(=O)n2[nH]1 ZINC000103820692 GE Annotated Anodyne O=C1C=CC=C/C1=C1\NNC2=C1[C@@H](c1cccc(O)c1)N(Cc1ccco1)C2=O ZINC000103864985 GE Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@H](c1cccc(O)c1)N(Cc1ccco1)C2=O ZINC000103864989 GE Annotated Mild Cc1cccc(-n2[nH]cc3c(=O)nc(SCC(=O)Nc4cc(C)on4)nc2-3)c1 ZINC000103881775 GE Annotated Anodyne C/C=C1/CN2CC[C@@]34C(=Nc5ccc(OC)cc53)[C@H]2C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000103884341 GE Annotated Anodyne COc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2nncc-2c1O ZINC000103904223 GE Annotated Anodyne COc1ccc(CCNC(=O)C2=C/C(=C3/C=C(C)C=C(C)C3=O)NN2)cc1OC ZINC000103917412 GE Annotated Mild CC(C)N1C(=O)/C(=N\NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 ZINC000103918664 GE Annotated Reactive CCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1CC ZINC000103932800 GE Annotated Anodyne CCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1CC ZINC000103932804 GE Annotated Anodyne CC1=N[C@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OCCOc1ccccc1 ZINC000103935015 GE Annotated Anodyne CC1=N[C@@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OCCOc1ccccc1 ZINC000103935018 GE Annotated Anodyne CC1=N[C@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OCCOc1ccccc1 ZINC000103935021 GE Annotated Anodyne CC1=N[C@@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OCCOc1ccccc1 ZINC000103935024 GE Annotated Anodyne CCCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1C ZINC000103940674 GE Annotated Anodyne CCCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1C ZINC000103940679 GE Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@H](CN5CCC6(CC5)OCCO6)[C@H]4C[C@@]13O2 ZINC000103946272 GE Annotated Anodyne Cn1c(/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc(=O)n(C)c1=O ZINC000103966573 GE Annotated Clean CCCc1c(O)n(-c2ccccc2)c(SCCN2CCOCC2)nc1=O ZINC000103972319 GE Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)n2nc(N)cc2C)nc2nncc-2c1O ZINC000103976312 GE Annotated Anodyne COc1ccc(C(=O)NCC(=O)NN/C=C2\C(C)=Nc3ccccc32)cc1OC ZINC000104004882 GE Annotated Reactive CN1C(SCC(=O)CC(=O)Nc2ccccc2)=NNC1=C1C=CC(=O)C=C1 ZINC000104008760 GE Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1 ZINC000104009337 GE Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1 ZINC000104009342 GE Annotated Mild CCN1C(SCC(=O)NC[C@@H]2CCCO2)=NN/C1=C1\C=Nc2ccccc21 ZINC000104013188 GE Annotated Anodyne CCN1C(SCC(=O)NC[C@H]2CCCO2)=NN/C1=C1\C=Nc2ccccc21 ZINC000104013193 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=CNN2C1=N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000104013216 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=CNN2C1=N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000104013226 GE Annotated Anodyne CCN1C(SCC(=O)Nc2ccc3c(c2)OCO3)=NN/C1=C1/C=CC=CC1=O ZINC000104013251 GE Annotated Mild C=CCN1C(SCC(=O)NCc2ccccc2)=NN/C1=C1/C=CC=CC1=O ZINC000104013991 GE Annotated Mild O=C(NCc1ccccn1)C1=CC2=N[C@@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1 ZINC000104014409 GE Annotated Anodyne O=C(NCc1ccccn1)C1=CC2=N[C@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1 ZINC000104014413 GE Annotated Anodyne O=C(NCc1ccccn1)C1=CC2=N[C@@H](c3ccco3)C[C@H](C(F)(F)F)N2N1 ZINC000104014418 GE Annotated Anodyne O=C(NCc1ccccn1)C1=CC2=N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1 ZINC000104014423 GE Annotated Anodyne COc1ccc(CCNC(=O)C2=C/C(=C3/C=CC(C)=C(C)C3=O)NN2)cc1OC ZINC000104019728 GE Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1O ZINC000104025291 GE Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1O ZINC000104025296 GE Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000104025355 GE Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000104025360 GE Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104026331 GE Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104026336 GE Annotated Anodyne O=C1C=CC=C/C1=C1\NNC2=C1[C@@H](c1ccc(F)cc1)N(C[C@H]1CCCO1)C2=O ZINC000104027640 GE Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@@H](c1ccc(F)cc1)N(C[C@@H]1CCCO1)C2=O ZINC000104027646 GE Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@H](c1ccc(F)cc1)N(C[C@H]1CCCO1)C2=O ZINC000104027651 GE Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@H](c1ccc(F)cc1)N(C[C@@H]1CCCO1)C2=O ZINC000104027654 GE Annotated Mild COc1ccc(CCNC(=O)C2=C/C(=C3/C=C(C)C(C)=CC3=O)NN2)cc1OC ZINC000104027721 GE Annotated Mild CC(C)CN1C(=O)/C(=C2\Nc3ccccc3S(=O)(=O)N2)C(=O)c2ccccc21 ZINC000104036083 GE Annotated Mild Cc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)o1 ZINC000104036250 GE Annotated Mild Cc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)o1 ZINC000104036256 GE Annotated Mild CC[C@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000104087031 GE Annotated Anodyne CC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000104087037 GE Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc3c(c1)OCO3)C1=C(O)CCCC1=N2 ZINC000104091690 GE Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc3c(c1)OCO3)C1=C(O)CCCC1=N2 ZINC000104091692 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000104182472 GE Annotated Anodyne C1=CC=C2NCCOCC/N=C3\C=CC=CC=C3NCCOCC/N=C\2C=C1 ZINC000104184565 GE Annotated Clean COCCCN1C(=O)C[C@@](CC(=O)N2C[C@H]3CC[C@H]2C3)(c2ccccc2)C1=O ZINC000104334994 GE Annotated Anodyne COCCCN1C(=O)C[C@](CC(=O)N2C[C@H]3CC[C@H]2C3)(c2ccccc2)C1=O ZINC000104334997 GE Annotated Anodyne COC(=O)/C(=C\C1=C(C(=O)O)[C@]23CCCC(C)(C)[C@@H]2[C@H](OC3=O)C1=O)C(C)C ZINC000104357509 GE Annotated Mild in-man COC(=O)/C(=C\C1=C(C(=O)O)[C@]23CCCC(C)(C)[C@H]2[C@H](OC3=O)C1=O)C(C)C ZINC000104357517 GE Annotated Mild in-man COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000104370124 GE 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)[C@@H]2CC[C@@H]1[C@H](OC)O2 ZINC000104383173 GE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@H](C)[C@@H]2CC[C@@H]1[C@H](OC)O2 ZINC000104383175 GE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)[C@H](C)[C@@H]2CC[C@@H]1[C@H](OC)O2 ZINC000104383177 GE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)[C@H](C)[C@@H]2CC[C@@H]1[C@H](OC)O2 ZINC000104383182 GE Annotated Anodyne in-man Cc1ccc(CN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 ZINC000104431937 GE Annotated Anodyne COc1cc(C)c2c(=O)c3c(oc2c1)C(=O)c1c(O)c(OC)cc(O)c1C3=O ZINC000104929712 GE Annotated Clean COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@@H]43 ZINC000104993557 GE Annotated Anodyne CC1(C)O[C@H]2[C@H]3O[P@](=O)(N(CCCl)CCCl)OC[C@@H]3O[C@@H]2O1 ZINC000105507217 GE Annotated Reactive CC1(C)O[C@H]2[C@H]3O[P@](=O)(N(CCCl)CCCl)OC[C@H]3O[C@@H]2O1 ZINC000105507219 GE Annotated Reactive CC1(C)O[C@@H]2O[C@@H]3CO[P@](=O)(N(CCCl)CCCl)O[C@H]3[C@@H]2O1 ZINC000105515044 GE Annotated Reactive CO[C@@H]1C[C@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O1 ZINC000105526731 GE Annotated Anodyne CC[C@@H](CO)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@](C)(O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)/C=C\O ZINC000105561931 GE Annotated Mild CSc1ccc(C(=O)N2CC(=O)N(Cc3cccs3)C[C@@H](O)C2)cc1 ZINC000105850753 GE Annotated Anodyne CSc1ccc(C(=O)N2CC(=O)N(Cc3cccs3)C[C@H](O)C2)cc1 ZINC000105850757 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000107369308 GE Annotated Anodyne COc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000107369426 GE Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1F ZINC000107369438 GE Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccc2)[C@@H]1C(=O)c1cccs1 ZINC000110684232 GE Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1cccs1 ZINC000110684235 GE Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccc2)[C@H]1C(=O)c1cccs1 ZINC000110684240 GE Annotated Anodyne O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccc2)[C@H]1C(=O)c1cccs1 ZINC000110684243 GE Annotated Anodyne COc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000110754950 GE Annotated Anodyne COc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000110754953 GE Annotated Anodyne COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000110754957 GE Annotated Anodyne COc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000110754960 GE Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(C)o2)[C@H]1c1ccccn1 ZINC000110929210 GE Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1 ZINC000110929213 GE Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@H](C(=O)c2ccc(C)o2)[C@H]1c1ccccn1 ZINC000110929216 GE Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@H](C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1 ZINC000110929219 GE Annotated Anodyne CC(=O)NCCOc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1 ZINC000113276958 GE Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])ccc2c1 ZINC000113332099 GE Annotated Anodyne investigational CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N(C)[C@@H]3CCOC3)n2)cc1 ZINC000113409544 GE Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N(C)[C@@H]3CCOC3)n2)cc1 ZINC000113409546 GE Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(NCc3ncccn3)nc2)cc1 ZINC000113412410 GE Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(NCc3ncccn3)nc2)cc1 ZINC000113412415 GE Annotated Mild CO[C@@H](C)CN(C)c1nccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)n1 ZINC000113414104 GE Annotated Mild CO[C@H](C)CN(C)c1nccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)n1 ZINC000113414107 GE Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(NCc3cnn(C)c3)nc2)cc1 ZINC000113414168 GE Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(NCc3cnn(C)c3)nc2)cc1 ZINC000113414171 GE Annotated Mild CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C)c2)CC3)C1 ZINC000113567762 GE Annotated Anodyne O=C1OCCN1c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)c(F)c2F)cn1 ZINC000113775243 GE Annotated Anodyne CN1CCN(c2ccc([C@@H]3C[C@@H]3C(=O)N3CCN(C4CCC4)CC3)cc2)C1=O ZINC000113838421 GE Annotated Anodyne CN1CCN(c2ccc([C@H]3C[C@@H]3C(=O)N3CCN(C4CCC4)CC3)cc2)C1=O ZINC000113838423 GE Annotated Anodyne CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc([N+](=O)[O-])c1 ZINC000114347212 GE Annotated Bother CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc([N+](=O)[O-])c1 ZINC000114347214 GE Annotated Bother COc1ccccc1[C@@H](CNC(C)=O)Nc1ncnc2c(C(N)=O)cccc12 ZINC000114349790 GE Annotated Anodyne COc1ccccc1[C@H](CNC(C)=O)Nc1ncnc2c(C(N)=O)cccc12 ZINC000114349792 GE Annotated Anodyne CNCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc([N+](=O)[O-])c1 ZINC000114350639 GE Annotated Bother CNCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc([N+](=O)[O-])c1 ZINC000114350641 GE Annotated Bother Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2s1 ZINC000114400208 GE Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NCCN3C(=O)CNC3=O)cc12 ZINC000114710895 GE Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NCCN3CC(=O)NC3=O)cc12 ZINC000114711669 GE Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000114842918 GE Annotated Anodyne O=C(O)[C@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000114842919 GE Annotated Anodyne O=C(O)[C@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000114842921 GE Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3ccc(F)c(F)c3)c12 ZINC000114871538 GE Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3cc(F)c(F)c(F)c3)c12 ZINC000114872894 GE Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3ccc(F)c(F)c3)cc12 ZINC000114873021 GE Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3cc(F)c(F)c(F)c3)cc12 ZINC000114873750 GE Annotated Anodyne O=C([C@H]1CCC(=O)N1Cc1cccnc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000011524136 GE Annotated Anodyne O=C([C@@H]1CCC(=O)N1Cc1cccnc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000011524137 GE Annotated Anodyne CCNc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 ZINC000011524618 GE Annotated Anodyne CNc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)ccc1=O ZINC000011525242 GE Annotated Anodyne O=C(Nc1ccnn1C1CCN(Cc2cc[nH]n2)CC1)c1ccc2c(c1)OCO2 ZINC000011663493 GE Annotated Anodyne C=CC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(=O)O ZINC000011688417 GE Annotated Mild CC1=C(C(=O)N2CCC(n3nccc3NC(=O)CC(C)C)CC2)OCCO1 ZINC000011761823 GE Annotated Anodyne COc1cc(-c2cnnc(NCCn3nc(C)cc3C)n2)cc(OC)c1OC ZINC000011817663 GE Annotated Anodyne CN(Cc1nc2ccccc2o1)c1nc2nonc2nc1N1CCSCC1 ZINC000011817698 GE Annotated Anodyne O=C(Cn1nnnc1CN1CCCCCC1)N[C@@H](c1ccco1)C(F)(F)F ZINC000011838307 GE Annotated Anodyne O=C(Cn1nnnc1CN1CCCCCC1)N[C@H](c1ccco1)C(F)(F)F ZINC000011838308 GE Annotated Anodyne Cc1ccc2c(c1)CN(CCNC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C[C@@H](C)O2 ZINC000011839059 GE Annotated Anodyne Cc1ccc2c(c1)CN(CCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C[C@@H](C)O2 ZINC000011839060 GE Annotated Anodyne CC1=C(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)OCCO1 ZINC000011842210 GE Annotated Anodyne CC1=C(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)OCCO1 ZINC000011842212 GE Annotated Anodyne CN1CC[C@H](N(C)c2ccc(C(=O)N3CCC(CCn4cccn4)CC3)cn2)C1 ZINC000011874354 GE Annotated Anodyne CN1CC[C@@H](N(C)c2ccc(C(=O)N3CCC(CCn4cccn4)CC3)cn2)C1 ZINC000011874355 GE Annotated Anodyne CCN1C[C@@H](CNC2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)CC1=O ZINC000011913696 GE Annotated Anodyne CCN1C[C@H](CNC2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)CC1=O ZINC000011913697 GE Annotated Anodyne CN(Cc1cccc2cnccc12)c1nc2nonc2nc1N1CCOCC1 ZINC000011952740 GE Annotated Anodyne CC(C)CN1CCNC(=O)[C@@H]1CC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000011953707 GE Annotated Anodyne CC(C)CN1CCNC(=O)[C@H]1CC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000011953713 GE Annotated Anodyne CCN(CCn1cccn1)C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000011956708 GE Annotated Anodyne Cc1cc(C)nc(CCNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)n1 ZINC000011999837 GE Annotated Anodyne Cc1cc(C)nc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)n1 ZINC000011999841 GE Annotated Anodyne COc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1 ZINC000115000024 GE Annotated Anodyne COCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(N)=O)c2n1 ZINC000115096989 GE Annotated Anodyne CNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CN(C)CCC2)C(C)(C)C ZINC000115394714 GE Annotated Anodyne COCCCNc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115622244 GE Annotated Anodyne CC(C)[C@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115622587 GE Annotated Anodyne CNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O ZINC000115623965 GE Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 ZINC000115624128 GE Annotated Anodyne CC(C)Nc1nc(-c2ccc(F)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115624146 GE Annotated Anodyne COCCNc1nc(-c2ccc(N3CCCC3=O)cc2)cc2ncn(C)c(=O)c12 ZINC000115624236 GE Annotated Anodyne COCCNCCc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 ZINC000115624290 GE Annotated Anodyne COCCNc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624321 GE Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)N)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115624520 GE Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)N)cc3)nc(N[C@H]3CCOC3)c2c1=O ZINC000115624522 GE Annotated Anodyne C[C@@H]1CN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cn2)CCO1 ZINC000115624646 GE Annotated Anodyne CC(C)Nc1nc(-c2ccc(N3CCNCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624776 GE Annotated Anodyne CC(C)Nc1nc(-c2cncc(CN3CCOCC3)c2)cc2ncn(C)c(=O)c12 ZINC000115624817 GE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CC3)c2c1=O ZINC000115625036 GE Annotated Anodyne Cn1cnc2cc(-c3ccc(F)c(S(C)(=O)=O)c3)nc(NC3CC3)c2c1=O ZINC000115625389 GE Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)N)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115625417 GE Annotated Anodyne CC(C)Nc1nc(-c2ccc(C3(O)CCNCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115625438 GE Annotated Anodyne Cc1cc(Nc2nc(-c3ccc(C(C)(C)O)nc3)cc3ncn(C)c(=O)c23)[nH]n1 ZINC000115625728 GE Annotated Anodyne Cn1cnc2cc(-c3ccc(C4(N)CC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115625868 GE Annotated Anodyne Cn1cnc2cc(-c3ccc(C4CCNCC4)cc3)nc(NCCCO)c2c1=O ZINC000115626066 GE Annotated Anodyne CC(C)Nc1nc(-c2ccc(N3CC[C@H](O)C3)cc2)cc2ncn(C)c(=O)c12 ZINC000115626317 GE Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCC(C)(C)CO)c2c1=O ZINC000115626429 GE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCC#N)c2c1=O ZINC000115626764 GE Annotated Mild CC(C)c1cc(-c2nnc(O)n2-c2ccc(N3CCOCC3)nc2)c(O)cc1O ZINC000115808463 GE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5ccc(OC)cc54)[C@@H]3C[C@H]12 ZINC000116773939 GE Annotated Anodyne COc1cccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1OC ZINC000116822071 GE Annotated Anodyne COc1cccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1OC ZINC000116822073 GE Annotated Anodyne COc1cccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c1OC ZINC000116822075 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccnn4-c4ccccc4)C[C@H]3C2)n1 ZINC000116823103 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccnn4-c4ccccc4)C[C@@H]3C2)n1 ZINC000116823104 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccnn4-c4ccccc4)C[C@H]3C2)n1 ZINC000116823106 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1 ZINC000116823191 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@@H]3C2)n1 ZINC000116823192 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1 ZINC000116823194 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ccn[nH]4)C[C@H]3C2)n1 ZINC000116823749 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ccn[nH]4)C[C@@H]3C2)n1 ZINC000116823750 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccnc4-c4ccn[nH]4)C[C@H]3C2)n1 ZINC000116823752 GE Annotated Anodyne Cc1cnc(C)c(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1 ZINC000116824705 GE Annotated Anodyne Cc1cnc(C)c(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@@H]3C2)n1 ZINC000116824707 GE Annotated Anodyne Cc1cnc(C)c(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@H]3C2)n1 ZINC000116824709 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5c4OCCCO5)C[C@H]3C2)n1 ZINC000116826300 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5c4OCCCO5)C[C@@H]3C2)n1 ZINC000116826302 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc5c4OCCCO5)C[C@H]3C2)n1 ZINC000116826305 GE Annotated Anodyne CCCOc1cccnc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116826736 GE Annotated Anodyne CCCOc1cccnc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116826739 GE Annotated Anodyne CCCOc1cccnc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 ZINC000116826741 GE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4ncn[nH]4)C[C@@H]32)n1 ZINC000116827675 GE Annotated Anodyne CCCCOc1nc(N)c2[nH]c(=O)n(CCCCCC3CCNCC3)c2n1 ZINC000117285094 GE Annotated Anodyne CN(C)c1ccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1 ZINC000117378012 GE Annotated Clean OC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1 ZINC000117652586 GE Annotated Anodyne OC[C@@H]1C[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1 ZINC000117669158 GE Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12)N1CC(O)C1 ZINC000118394402 GE Annotated Anodyne O=C(O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000118408994 GE Annotated Anodyne Cc1nn(C)cc1CN(C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012030628 GE Annotated Anodyne Cc1nn(C)cc1CN(C)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012030634 GE Annotated Anodyne CN(CCO)C(=O)c1cn(C2CCN(Cc3cccc4ccccc34)CC2)nn1 ZINC000012049033 GE Annotated Anodyne Cc1ncccc1C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 ZINC000012056077 GE Annotated Anodyne Cc1ncccc1C(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 ZINC000012056079 GE Annotated Anodyne O=C(CSc1ncccn1)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000012079801 GE Annotated Anodyne O=C(CSc1ncccn1)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000012079802 GE Annotated Anodyne CCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 ZINC000012092171 GE Annotated Anodyne CCN(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 ZINC000012092174 GE Annotated Anodyne COc1ccc(N2C(=O)CN(C(=O)[C@H](CC(C)C)NC(C)=O)CC2(C)C)cc1 ZINC000012099551 GE Annotated Anodyne CC(=O)NCCNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C ZINC000012126814 GE Annotated Anodyne CN1CCCCC[C@@H]1C(=O)N1CCOc2ccc(CN3CCOCC3)cc2C1 ZINC000012133701 GE Annotated Anodyne CN1CCCCC[C@H]1C(=O)N1CCOc2ccc(CN3CCOCC3)cc2C1 ZINC000012133706 GE Annotated Anodyne Cc1cc(C(F)(F)F)n2nc(C3CCN(S(=O)(=O)N(C)C)CC3)cc2n1 ZINC000012160514 GE Annotated Anodyne COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@H]2CCCCNC2=O)no1 ZINC000012202805 GE Annotated Anodyne COC1CCN(Cc2cnc(S(=O)(=O)C[C@@H]3CCCO3)n2CC(C)C)CC1 ZINC000012203379 GE Annotated Anodyne COC1CCN(Cc2cnc(S(=O)(=O)C[C@H]3CCCO3)n2CC(C)C)CC1 ZINC000012203385 GE Annotated Anodyne Cc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)oc3=O)CC2)o1 ZINC000012233989 GE Annotated Anodyne NC(=O)NCC(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012281474 GE Annotated Anodyne NC(=O)NCC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012281475 GE Annotated Anodyne COCCCn1c(CN2CC[C@@H](COC)C2)cnc1S(=O)(=O)C1CCCC1 ZINC000012299759 GE Annotated Anodyne COCCCn1c(CN2CC[C@H](COC)C2)cnc1S(=O)(=O)C1CCCC1 ZINC000012299760 GE Annotated Anodyne CCCc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2C)n[nH]1 ZINC000012301386 GE Annotated Anodyne CCCc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2C)n[nH]1 ZINC000012301389 GE Annotated Anodyne CN(Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F)CC1CCOCC1 ZINC000012301562 GE Annotated Anodyne CCS(=O)(=O)c1ncc(CN(C)C2CCOCC2)n1Cc1ccccc1 ZINC000012303517 GE Annotated Anodyne O=C(CCn1cnnn1)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000012305543 GE Annotated Anodyne CCCCn1c(CN(C)Cc2c(C)nn(C)c2C)cnc1S(=O)(=O)CC ZINC000012307159 GE Annotated Anodyne O=CN1CCCN(C(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)CC1 ZINC000012314611 GE Annotated Anodyne COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)c3csnn3)C1)CC2 ZINC000012314794 GE Annotated Anodyne COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)c3csnn3)C1)CC2 ZINC000012314795 GE Annotated Anodyne CC[C@H]1C(=O)NCCN1C(=O)c1cc(COc2ccc(OC)cc2Cl)[nH]n1 ZINC000012317310 GE Annotated Anodyne CC[C@@H]1C(=O)NCCN1C(=O)c1cc(COc2ccc(OC)cc2Cl)[nH]n1 ZINC000012317311 GE Annotated Anodyne N=C(N)c1ccc(CN2CCN(Cc3nc4cc(Cl)ccc4[nH]3)CC2=O)cc1 ZINC000012354966 GE Annotated Anodyne NCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CC2)CC1 ZINC000012355079 GE Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCC(N)CC3)c21 ZINC000012355088 GE Annotated Bother CC(=O)[C@@H]1[C@@H](c2cccc(Br)c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377530 GE Annotated Anodyne CC(=O)[C@@H]1[C@H](c2cccc(Br)c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377532 GE Annotated Anodyne Cc1ncsc1C(=O)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012386972 GE Annotated Anodyne Cc1ncsc1C(=O)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012386973 GE Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)C2=NNC(=O)CC2)C1 ZINC000012430107 GE Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)C2=NNC(=O)CC2)C1 ZINC000012430108 GE Annotated Anodyne COCCCn1c(CN2CCC[C@@H]2c2nccs2)cnc1S(C)(=O)=O ZINC000012430325 GE Annotated Anodyne COCCCn1c(CN2CCC[C@H]2c2nccs2)cnc1S(C)(=O)=O ZINC000012430326 GE Annotated Anodyne CCn1ccnc1CN(C)c1nncc(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000012430773 GE Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N(C)[C@@H](C)c2ccccn2)CC1 ZINC000012436062 GE Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N(C)[C@H](C)c2ccccn2)CC1 ZINC000012436065 GE Annotated Anodyne COC1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)CC1 ZINC000012439531 GE Annotated Anodyne COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)c3cnsn3)C1)CC2 ZINC000012440800 GE Annotated Anodyne COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)c3cnsn3)C1)CC2 ZINC000012440802 GE Annotated Anodyne CN(Cc1cccc2ncccc12)c1nc2nonc2nc1N1CCOCC1 ZINC000012442670 GE Annotated Anodyne CCc1n[nH]c(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)c1C ZINC000012445450 GE Annotated Anodyne CCc1n[nH]c(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)c1C ZINC000012445452 GE Annotated Anodyne O=C(CCC(=O)Nc1ccc(Br)cc1)NN/C=C1\C=CC=CC1=O ZINC000012475263 GE Annotated Reactive O=[N+]([O-])c1cccc(CN2[C@@H](Cc3ccccc3)COCCS2(=O)=O)c1 ZINC000012478225 GE Annotated Bother C=C1CCN([C@@H](CC(C)C)C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21 ZINC000012479229 GE Annotated Mild CN1CCN(C(=O)C2=C[C@H](C3CC3)C[C@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000012482252 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012496986 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012496990 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012496998 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012497002 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497253 GE Annotated Anodyne COC(=O)C1=C(C)CC(=O)c2c1cc1c(c2O)C(=O)c2c(O)cccc2C1=O ZINC000012504118 GE Annotated Clean in-vivo CCn1c(-c2ccc(O)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000012540909 GE Annotated Anodyne COc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CCC(=O)N(C4CC4)C3)cn2)c1 ZINC000012577750 GE Annotated Anodyne COc1cccc(-n2cc(CN(C)C(=O)[C@H]3CCC(=O)N(C4CC4)C3)cn2)c1 ZINC000012577757 GE Annotated Anodyne Cc1c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)c(=O)n(-c2ccccc2)n1C ZINC000012577825 GE Annotated Anodyne Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c(=O)n(-c2ccccc2)n1C ZINC000012577832 GE Annotated Anodyne O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)N1CCOCC1 ZINC000012582974 GE Annotated Anodyne COCC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1O ZINC000012659694 GE Annotated Mild CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc(O)c1 ZINC000012661250 GE Annotated Anodyne CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1cccc(O)c1 ZINC000012661252 GE Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1 ZINC000012701364 GE Annotated Anodyne O=C(COc1cccc2cccnc12)N/N=C1\SCC(=O)N1Cc1ccco1 ZINC000012712134 GE Annotated Reactive O=C(Cn1cccn1)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 ZINC000012713731 GE Annotated Anodyne O=C(Cn1cccn1)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 ZINC000012713739 GE Annotated Anodyne COCCNC(=O)CCC1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000012718602 GE Annotated Anodyne COC(=O)C[C@@]1(C(=O)OC)Oc2ccccc2C(=O)N1c1ccc(F)cc1F ZINC000012725884 GE Annotated Anodyne COC(=O)C[C@]1(C(=O)OC)Oc2ccccc2C(=O)N1c1ccc(F)cc1F ZINC000012725886 GE Annotated Anodyne Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCCC4)nc2-3)cc1C ZINC000012732118 GE Annotated Anodyne Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCCCC4)nc2-3)cc1 ZINC000012732148 GE Annotated Anodyne CSc1ccccc1OCc1cc(C(=O)N(C)C[C@@H]2COCCO2)no1 ZINC000012747914 GE Annotated Anodyne CSc1ccccc1OCc1cc(C(=O)N(C)C[C@H]2COCCO2)no1 ZINC000012747920 GE Annotated Anodyne COC(=O)CNC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000012755319 GE Annotated Anodyne COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@@H]1CCOC1 ZINC000012836297 GE Annotated Anodyne COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H]1CCOC1 ZINC000012836300 GE Annotated Anodyne CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1cccnc1 ZINC000013116498 GE Annotated Anodyne CCCOC(=O)CCCC[C@H]1SC[C@H](NC(=O)OC)[C@@H]1NC(=O)OC ZINC000013116578 GE Annotated Anodyne O=C(NCc1ccco1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013116835 GE Annotated Anodyne O=C(N/N=C1/C/C(=N\NC(=O)c2ccncc2)c2ccccc21)c1ccncc1 ZINC000013118441 GE Annotated Reactive O=C(N/N=C1/C/C(=N/NC(=O)c2ccncc2)c2ccccc21)c1ccncc1 ZINC000013118443 GE Annotated Reactive CCCCCCC1=Cc2c/c(=C3/NN=C(c4ccccc4)O3)c(=O)oc2=CC1=O ZINC000013118522 GE Annotated Mild CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](c2ccccc2)[C@H]1CCCO ZINC000013118558 GE Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccccc2)[C@@H]1CCCO ZINC000013118606 GE Annotated Anodyne CCOC1=C/C(=C/NNC(=O)C(=O)Nc2cc(Cl)ccc2C)C=CC1=O ZINC000013119065 GE Annotated Reactive O=C(CCC(=O)NN/C=C1\C=C(Cl)C=C(Cl)C1=O)NCc1ccccc1 ZINC000013119163 GE Annotated Reactive COC1=C/C(=C(\C)NNC(=O)CSc2nc3ccccc3n2C)C=CC1=O ZINC000013119171 GE Annotated Reactive CC1=Nc2ccccc2/C1=C/NNC(=O)CNC(=O)COc1cccc(C)c1 ZINC000013119323 GE Annotated Reactive O=C1C=CC(Br)=C/C1=C\NNC(=S)NCCc1ccccc1 ZINC000013120228 GE Annotated Mild CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(C(=O)OC)nn32)ccc1OC ZINC000013121678 GE Annotated Mild CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3nc(C(=O)OC)nn32)ccc1OC ZINC000013121679 GE Annotated Mild Cc1nnc(SCC(=O)NNC=C2C=C(Cl)C(=O)C(Cl)=C2)s1 ZINC000013121700 GE Annotated Reactive O=C(CSc1nc2ccccc2s1)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O ZINC000013122490 GE Annotated Reactive O=C(NN/C=C1\N=c2ccccc2=C1Cl)c1cccc(Br)c1 ZINC000013122544 GE Annotated Reactive Cc1ccc(S(=O)(=O)Nc2nc(C)cc(NNC=C3C=CC(=O)C=C3)n2)cc1 ZINC000013122567 GE Annotated Mild Cc1ccc(/C=C2\SC(=S)N(N/C=C3\C=C([N+](=O)[O-])C=CC3=O)C2=O)o1 ZINC000013122846 GE Annotated Mild O=C1N=C(NS(=O)(=O)Cc2ccccc2)S/C1=C1\C(=O)Nc2ccccc21 ZINC000013123295 GE Annotated Clean CCOC1=C/C(=C/NNC(=O)CCCC(=O)NC2CCCCC2)C=CC1=O ZINC000013123308 GE Annotated Reactive Cc1cc(NNC=C2C=CC(=O)C=C2)nc(NS(=O)(=O)c2ccccc2)n1 ZINC000013124188 GE Annotated Mild O=C1C(Br)=CC(=CNNC(=O)c2cccnc2)C=C1Br ZINC000013124342 GE Annotated Reactive COc1ccc(C(=O)NN/C=C2\C=NN=C2c2ccc(OC)cc2OC)cc1 ZINC000013125065 GE Annotated Reactive COc1ccc(C(=O)NN/C=C2\C=C(Br)C=CC2=O)cc1OC ZINC000013125608 GE Annotated Reactive O=C1C(Br)=CC(Br)=C/C1=C\NNC(=O)c1ccncc1 ZINC000013125723 GE Annotated Reactive CCOC(=O)c1sc2ncn(N/C=C3/C=CC(=O)C(OC)=C3)c(=O)c2c1C ZINC000013126005 GE Annotated Mild COC1=CC(=CNNC(=O)Cc2ccc(Br)cc2)C=C(OC)C1=O ZINC000013126031 GE Annotated Reactive Cc1c(C(=O)NN/C=C2/C=CC(=O)C(Br)=C2)sc(N)c1C#N ZINC000013126079 GE Annotated Reactive NC(=O)COc1ccc(NC2=NNC(=C3C=CC(=O)C=C3)c3ccccc32)cc1 ZINC000013126118 GE Annotated Mild CCn1c(SCC(=O)NN/C=C2/C=CC(=O)C(OC)=C2)nc2ccccc21 ZINC000013126131 GE Annotated Reactive COc1ccc(C2=NN=C/C2=C\NNC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000013126186 GE Annotated Reactive C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O ZINC000013126694 GE Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O ZINC000013126700 GE Annotated Anodyne CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000013127212 GE Annotated Anodyne CC1=CC(Br)=C/C(=C\NNC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000013130289 GE Annotated Reactive COC1=C/C(=C(\C)NNC(=O)C(O)(c2ccccc2)c2ccccc2)C=CC1=O ZINC000013130291 GE Annotated Reactive COC1=CC(=Cc2c(C)[nH]n(-c3ccc(C(=O)O)cc3)c2=O)C=C(OC)C1=O ZINC000013130678 GE Annotated Mild COc1ccccc1NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@]23C=C[C@H]1O3 ZINC000013131502 GE Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)cc1F ZINC000013131924 GE Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)cc1F ZINC000013131926 GE Annotated Anodyne CC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013139991 GE Annotated Clean Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 ZINC000013147332 GE Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 ZINC000013147333 GE Annotated Anodyne CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013151910 GE Annotated Anodyne CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013151911 GE Annotated Anodyne CC(C)[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013151912 GE Annotated Anodyne C=CCn1c(=O)/c(=C/c2ccc(C)o2)s/c1=C(\C#N)C(=O)c1ccccc1 ZINC000013152680 GE Annotated Mild C=CCn1c(=O)/c(=C/c2ccc(C)o2)s/c1=C(/C#N)C(=O)c1ccccc1 ZINC000013152681 GE Annotated Mild O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)/c1=N\c1ccc(Cl)cc1 ZINC000013152943 GE Annotated Bother O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 ZINC000013153341 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 ZINC000013153342 GE Annotated Anodyne CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000013153461 GE Annotated Anodyne CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 ZINC000013153462 GE Annotated Anodyne O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7cc([N+](=O)[O-])ccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 ZINC000013153768 GE Annotated Bother O=C1C[C@H]2OCC=C3CN4CC[C@]56c7cc([N+](=O)[O-])ccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 ZINC000013153769 GE Annotated Bother C[C@@H](OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)c1ccccc1 ZINC000013153896 GE Annotated Anodyne C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)c1ccccc1 ZINC000013153897 GE Annotated Anodyne C[C@@H](C(=O)O[C@H](C)C(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000013153898 GE Annotated Anodyne C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)c1ccccc1 ZINC000013153899 GE Annotated Anodyne O=C(O)C[C@@H]1SC(N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)=NC1=O ZINC000013153973 GE Annotated Mild O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(Br)cc1 ZINC000013154729 GE Annotated Anodyne CC(C)(C)C(=O)OC[C@H]1C(=O)OC[C@H]1C(=O)N1Cc2cc3ccccc3nc2C1 ZINC000013214626 GE Annotated Anodyne CC(C)(C)C(=O)OC[C@H]1C(=O)OC[C@@H]1C(=O)N1Cc2cc3ccccc3nc2C1 ZINC000013214628 GE Annotated Anodyne CC(C)(C)C(=O)OC[C@@H]1C(=O)OC[C@H]1C(=O)N1Cc2cc3ccccc3nc2C1 ZINC000013214630 GE Annotated Anodyne CC(C)(C)C(=O)OC[C@@H]1C(=O)OC[C@@H]1C(=O)N1Cc2cc3ccccc3nc2C1 ZINC000013214632 GE Annotated Anodyne S=C(NCCc1ccccn1)c1nc[nH]c1C(=S)NCCc1ccccn1 ZINC000013219131 GE Annotated Anodyne COC1=CC(=O)[C@@]2(C1)[C@@H](Cl)C[C@@]13C(OC)=C(OC)C(=O)C[C@@]21CCN3C ZINC000013308006 GE Annotated Reactive CN(C)CCc1cc2c(cc1CC(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2 ZINC000013308302 GE Annotated Anodyne in-man COC(=O)c1c(COC(=O)c2c(C)cc(O)c(C=O)c2O)cc(O)c(C)c1O ZINC000013310283 GE Annotated Anodyne CC(=O)OCc1cc(OC(C)=O)c2c(c1OC(C)=O)C(=O)c1ccccc1C2=O ZINC000013327812 GE Annotated Clean Cc1cc(O)cc(O)c1C(=O)c1c(O)cc(O)cc1Cc1cc(=O)cc(O)o1 ZINC000013334576 GE Annotated Anodyne C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C/C(C)=C\C(=O)[C@@H](OCC)CC(=O)C1)[C@H]2O ZINC000013335636 GE Annotated Mild C=C1[C@H]2CC[C@H]3[C@]4(COC(=O)[C@@]3(C2)[C@@H]1OC(C)=O)C(=O)C=CC(C)(C)[C@H]4C=O ZINC000013339269 GE Annotated Mild in-vitro biogenic CC(=O)N/C=C/c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2 ZINC000013346526 GE Annotated Clean in-vitro biogenic CCc1c(C)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)C(=O)[C@@](C)(C(=O)OC)O1 ZINC000013366076 GE Annotated Mild CCc1c(C)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)C(=O)[C@](C)(C(=O)OC)O1 ZINC000013366079 GE Annotated Mild CCC1=CC(=O)c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)[C@@H]1C(=O)O ZINC000013366527 GE Annotated Mild O=C(O)CC[C@@]1(O)OC2=CC(=O)c3c(O)cc(O)cc3C2=C1c1ccc(O)cc1 ZINC000013368980 GE Annotated Mild O=C(O)CC[C@]1(O)OC2=CC(=O)c3c(O)cc(O)cc3C2=C1c1ccc(O)cc1 ZINC000013368982 GE Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1C(=O)C=CC3=O)C(=O)[C@@H]1O[C@@H]1C2=O ZINC000013375687 GE Annotated Mild COc1cc(C[C@@H]2CN(C(C)=O)[C@H](Cc3ccccc3)CN2)cc2c1OCO2 ZINC000013379065 GE Annotated Anodyne COC(=O)C[C@@H]1c2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)OC ZINC000013383386 GE Annotated Clean in-man endogenous COC(=O)C[C@H]1c2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)OC ZINC000013383387 GE Annotated Clean in-man COC(=O)C[C@@H]1c2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)OC ZINC000013383388 GE Annotated Clean in-man endogenous COC(=O)C[C@H]1c2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)OC ZINC000013383389 GE Annotated Clean in-man endogenous CO[C@]1([C@@H]2[C@H](O)C=C(CCC(C=O)=C(C)C)C(=O)OC2(C)C)C=C(C)C(=O)O1 ZINC000013384193 GE Annotated Reactive COc1ccc2c(c1)C(=O)N1CCC[C@H]1c1nc3c(O)cc(OC)cc3c(=O)n1-2 ZINC000013397534 GE Annotated Anodyne CN1C(=O)c2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@@H]12)OCO4 ZINC000013408876 GE Annotated Anodyne in-vitro biogenic CN1C(=O)c2c(ccc3c2OCO3)[C@]2(C)[C@@H](O)Cc3cc4c(cc3[C@H]12)OCO4 ZINC000013408888 GE Annotated Anodyne COc1ccc2c(c1OC)C(=O)N[C@@]21Cc2cc3c(cc2CC[N+]1(C)C)OCO3 ZINC000013431178 GE Annotated Bother O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(I)c2c1 ZINC000013439733 GE Annotated Bother in-vivo CN(Cc1ccccc1)[C@@H](c1cccc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440499 GE Annotated Anodyne CN(Cc1ccccc1)[C@H](c1cccc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440501 GE Annotated Anodyne O=P(O)(O)[C@@H](N[C@H]1CCc2ccccc21)c1cccc2nc(O)c(O)nc12 ZINC000013440522 GE Annotated Anodyne O=P(O)(O)[C@H](N[C@H]1CCc2ccccc21)c1cccc2nc(O)c(O)nc12 ZINC000013440524 GE Annotated Anodyne NS(=O)(=O)Cc1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1 ZINC000013470496 GE Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCN3CCOCC3)C2=O)cc1 ZINC000013473141 GE Annotated Anodyne S=C(NCCN1CCOCC1)N1CCC(c2cccc(Br)c2)=N1 ZINC000013474241 GE Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCC[C@@H](O)C3)c21 ZINC000013478404 GE Annotated Bother COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCC[C@H](O)C3)c21 ZINC000013478406 GE Annotated Bother COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCC(O)CC3)c21 ZINC000013478408 GE Annotated Bother COc1cc(C[C@H](CO)[C@@H](CO)Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000013480444 GE Annotated Anodyne in-vitro biogenic COC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O ZINC000013481235 GE Annotated Clean COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)[C@H](O)[C@H](O)[C@@]12C ZINC000013484166 GE Annotated Anodyne in-vitro biogenic COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=C[C@H](O)OC3=O)[C@H](C)C[C@H](O)[C@@]12C ZINC000013484174 GE Annotated Anodyne in-vitro biogenic CCCCNC(=O)N1N[C@@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000013487441 GE Annotated Anodyne CCCCNC(=O)N1N[C@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000013487442 GE Annotated Anodyne O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccsc1)C2 ZINC000013491489 GE Annotated Anodyne CC(C)c1[nH]nc2c1C(=O)c1c(NC(=O)CN3CCC(CN)CC3)cccc1-2 ZINC000013492178 GE Annotated Anodyne COc1ccccc1COC(=O)Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000013492639 GE Annotated Anodyne O=C(COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Br)cc1 ZINC000013517069 GE Annotated Anodyne O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(C(F)(F)F)c1 ZINC000013517170 GE Annotated Anodyne O=C(COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(C(F)(F)F)c1 ZINC000013517173 GE Annotated Anodyne COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OCCO)(C2)[C@H]13 ZINC000013522296 GE Annotated Anodyne in-vivo CCc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2n[nH]cc2c1=O ZINC000013523829 GE Annotated Anodyne CCOC(=O)c1nc2c(O)nc3cc(C(F)(F)F)c(-n4ccnc4)cc3n2n1 ZINC000013532607 GE Annotated Anodyne CCOC(=O)N(C)CC[C@@]12C=C[C@H](O)C[C@@H]1Oc1c(OC)ccc(C=O)c12 ZINC000013535631 GE Annotated Anodyne COc1ccc2c(c1)c(C[C@H]1C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C ZINC000013538998 GE Annotated Anodyne O=C(CCc1ccccn1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 ZINC000013545264 GE Annotated Anodyne O=C(CCc1ccccn1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 ZINC000013545266 GE Annotated Anodyne CCOC(=O)C1(Cc2ccccc2Cl)CCN(S(=O)(=O)N(C)C)CC1 ZINC000013545309 GE Annotated Anodyne C/C=C(\C)C(=O)NCCN1C2=NC[C@H](C(C)C)N2C[C@H]1Cc1ccc(O)cc1 ZINC000013545642 GE Annotated Anodyne CCOC(=O)CCCN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O ZINC000013557424 GE Annotated Anodyne O=C(c1ccc2c(c1)c1c3c(cc4c1n2C(=O)CC4)CNCC3)N1CCOCC1 ZINC000013558712 GE Annotated Anodyne O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cncnc1 ZINC000013558967 GE Annotated Anodyne O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cncnc1 ZINC000013558968 GE Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCC/C(S)=N/1 ZINC000013559804 GE Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(OCC)cc1 ZINC000013562766 GE Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(OCC)cc1 ZINC000013562769 GE Annotated Anodyne O=C1NCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 ZINC000013580068 GE Annotated Anodyne O=C1NCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 ZINC000013580070 GE Annotated Anodyne N[C@]1(C(=O)O)[C@@H](OCc2ccc(Cl)c(Cl)c2)C[C@H]2[C@@H]1[C@]2(F)C(=O)O ZINC000013582193 GE Annotated Anodyne N[C@@]1(C(=O)O)[C@H](OC(c2ccccc2)c2ccccc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O ZINC000013582231 GE Annotated Anodyne N[C@@]1(C(=O)O)[C@@H](OCc2ccc(Cl)c(Cl)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O ZINC000013582257 GE Annotated Anodyne C=C(CO)C(=O)OC/C1=C/C[C@@H]2C(=C)C(=O)O[C@H]2C/C(COC(C)=O)=C\CC1 ZINC000013585347 GE Annotated Mild O=C(CN1CCN(c2ccc(F)cc2)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000013585741 GE Annotated Clean O=C(CCN1CCN(C(=O)c2ccccc2)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000013585755 GE Annotated Clean CC(C)Cn1c(=O)[nH]c(=O)c2[nH]c(Cc3ccc(Br)cc3)nc21 ZINC000013587134 GE Annotated Anodyne O=C(C1CCN(C2CCN(C[C@H]3CC=CCC3)CC2)CC1)N1CCOCC1 ZINC000013593968 GE Annotated Anodyne O=C(C1CCN(C2CCN(C[C@@H]3CC=CCC3)CC2)CC1)N1CCOCC1 ZINC000013593970 GE Annotated Anodyne CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C[C@@H](O)CO)CC1 ZINC000013595606 GE Annotated Anodyne CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C[C@H](O)CO)CC1 ZINC000013595608 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(/N=C/c2c(C(F)(F)F)nn(C)c2O)cc1 ZINC000013597636 GE Annotated Mild CN1C(C(=O)Nc2ccccn2)=C(O)c2c(c3ccccc3n2C)S1(=O)=O ZINC000013605471 GE Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CCC3=O)cc2c1CCN(C)C ZINC000013605912 GE Annotated Anodyne COC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1-c1ccncc1 ZINC000013605930 GE Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](C3CC3)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013634843 GE Annotated Anodyne O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1cccc(Br)c1 ZINC000013635258 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1cccc(Br)c1 ZINC000013635262 GE Annotated Anodyne C[C@@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@@H]2C1=O ZINC000013642279 GE Annotated Anodyne C[C@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@H]2C1=O ZINC000013642282 GE Annotated Anodyne C[C@@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@H]2C1=O ZINC000013642285 GE Annotated Anodyne C[C@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@@H]2C1=O ZINC000013642288 GE Annotated Anodyne CCNC[C@@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(CC)c3c2F)C1 ZINC000013649644 GE Annotated Anodyne CCNC[C@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(CC)c3c2F)C1 ZINC000013649645 GE Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3C[C@H](C)N[C@@H](C)C3)c(Cl)c21 ZINC000013649650 GE Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3C[C@@H](C)N[C@H](C)C3)c(Cl)c21 ZINC000013649653 GE Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3C[C@H](C)N[C@H](C)C3)c(Cl)c21 ZINC000013649655 GE Annotated Anodyne CCNC[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000013649679 GE Annotated Anodyne CCNC[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000013649681 GE Annotated Anodyne CCNC[C@@H]1CCN(c2c(F)c(O)c3c(=O)c(C(=O)O)cn(CC)c3c2F)C1 ZINC000013649716 GE Annotated Anodyne CCNC[C@H]1CCN(c2c(F)c(O)c3c(=O)c(C(=O)O)cn(CC)c3c2F)C1 ZINC000013649718 GE Annotated Anodyne CC(C)NS(=O)(=O)c1ccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000013649998 GE Annotated Clean C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)CCN1 ZINC000013650209 GE Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)CCN1 ZINC000013650210 GE Annotated Anodyne C/C(=N\NC(=S)NNC(=S)Nc1ccccc1Cl)c1cccc[n+]1[O-] ZINC000013650693 GE Annotated Mild O=c1cc(O)c2c3c(O)cc(O)c4c(=O)cc(O)c(c5c(O)cc(O)c1c52)c43 ZINC000013650842 GE Annotated Bother O=C1C[C@@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc2ccccc2c1 ZINC000013651436 GE Annotated Anodyne O=C1C[C@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc2ccccc2c1 ZINC000013651437 GE Annotated Anodyne C#CCNC(=O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 ZINC000013656474 GE Annotated Mild NC(=O)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656552 GE Annotated Anodyne C#CCNC(=O)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1 ZINC000013656562 GE Annotated Mild C#Cc1ccc([C@@H]2C=C(C(=O)N3CCOCC3)O[C@H](OCC)[C@H]2CCCO)cc1 ZINC000013656785 GE Annotated Mild C#Cc1ccc([C@@H]2C=C(C(=O)N3CCOCC3)O[C@H](OCCCCO)C2)cc1 ZINC000013656807 GE Annotated Mild C#Cc1ccc([C@H]2C=C(C(=O)N3CCOCC3)O[C@@H](OCC)[C@@H]2CCCO)cc1 ZINC000013656827 GE Annotated Mild CN1CCN(C(=O)C2=C[C@@H](C3CCCCC3)C[C@@H](OCCCCO)O2)CC1 ZINC000013656839 GE Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1 ZINC000013657460 GE Annotated Anodyne COCCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]2N1C ZINC000013660679 GE Annotated Anodyne COCCNC(=O)[C@H]1C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]2N1C ZINC000013660681 GE Annotated Anodyne COc1cc(CCCN2C(=O)C(=O)NC[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000013662257 GE Annotated Anodyne CC[C@@H](C)[C@H]1CNC(=O)C(=O)N1CCCc1cc(OC)c(OC)c(OC)c1 ZINC000013662265 GE Annotated Anodyne CC[C@H](C)[C@H]1CNC(=O)C(=O)N1CCCc1cc(OC)c(OC)c(OC)c1 ZINC000013662267 GE Annotated Anodyne CCCC[C@@H]1CNC(=O)C(=O)N1CCCc1cc(OC)c(OC)c(OC)c1 ZINC000013662275 GE Annotated Anodyne COc1ccc2c(c1N)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000013675153 GE Annotated Anodyne O=C(c1ccccc1)n1c(=O)n(-c2ccccc2)c(=O)n1C(=O)c1ccccc1 ZINC000013675213 GE Annotated Anodyne Cc1cccc2c1O[P@](=O)(COCCn1cnc3c(N)ncnc31)OC2 ZINC000013677699 GE Annotated Anodyne Cc1cccc2c1O[P@@](=O)(COCCn1cnc3c(N)ncnc31)OC2 ZINC000013677701 GE Annotated Anodyne N#CCCn1cc(/C=N/NC(N)=S)c(-c2ccc(Br)cc2)n1 ZINC000013683896 GE Annotated Mild O=c1c2c(O)cc(O)c(I)c2ncn1-c1ccc(O)cc1 ZINC000013685401 GE Annotated Anodyne O=c1c2c(O)c(I)c(O)cc2ncn1-c1ccc(O)cc1 ZINC000013685409 GE Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000013686176 GE Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000013686188 GE Annotated Anodyne O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1O ZINC000013687283 GE Annotated Clean C[N+](C)(C)CCO[P@](=O)(O)OCCNC(=O)Cc1ccc2ccccc2c1 ZINC000013726188 GE Annotated Bother CC(C)CN(C)Cc1cc(C(=O)c2csc(S(N)(=O)=O)c2)ccc1O ZINC000013727863 GE Annotated Clean CC[C@@H](C)NCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1 ZINC000013727905 GE Annotated Anodyne CC[C@H](C)NCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1 ZINC000013727908 GE Annotated Anodyne C=C(CN(C)C)C(=O)c1ccc(OS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 ZINC000013741924 GE Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)[C@@H](C(N)=O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000013742766 GE Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)[C@H](C(N)=O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000013742767 GE Annotated Anodyne COc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1N1CCOCC1 ZINC000013746308 GE Annotated Anodyne COc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1N1CCOCC1 ZINC000013746310 GE Annotated Anodyne CCCOc1ccc2c(c1)C(=O)c1ccc(-c3nnn(C)n3)cc1S2(=O)=O ZINC000013755838 GE Annotated Anodyne C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1)C(F)(F)F ZINC000013760242 GE Annotated Anodyne C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1)C(F)(F)F ZINC000013760243 GE Annotated Anodyne C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cncs2)cc1)C(F)(F)F ZINC000013760244 GE Annotated Anodyne C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2cncs2)cc1)C(F)(F)F ZINC000013760245 GE Annotated Anodyne N#C/C(=C\c1ccc(O)c(O)c1)S(=O)(=O)/C(C#N)=C/c1ccc(O)c(O)c1 ZINC000013760527 GE Annotated Reactive CCc1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCN(c1cccc(OC)c1)C2=O ZINC000013779816 GE Annotated Anodyne CCc1nn([C@H]2CCS(=O)(=O)C2)c2c1CCN(c1cccc(OC)c1)C2=O ZINC000013779817 GE Annotated Anodyne CC(C)(/C=C/C(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCC(CC(=O)O)CC1 ZINC000013779851 GE Annotated Mild COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@](O)(CO)[C@@H]2CCC1=CCOC1=O ZINC000013780210 GE Annotated Anodyne O=C1c2cccn2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000013781459 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1 ZINC000013784950 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 ZINC000013784953 GE Annotated Anodyne CCOC(=O)CCCn1ccc2cc(OC(C)=O)c(OC(C)=O)cc2c1=O ZINC000013800914 GE Annotated Anodyne CNC(=O)CCCn1cc(Br)c2cc(OC)c(OC)cc2c1=O ZINC000013800991 GE Annotated Anodyne C[C@H]1CN(/C(=N\C#N)Oc2ccccc2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F ZINC000013804122 GE Annotated Mild O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1F)NO ZINC000013808316 GE Annotated Bother CCN(CC)CCNC(=O)c1cc(I)ccc1OC ZINC000013814402 GE Annotated Anodyne NCCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817131 GE Annotated Mild O=C1CCN2C(=C1C(=O)Nc1ccccc1F)N(CCO)c1cc(F)ccc12 ZINC000013817175 GE Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(CC3CC3)C=C2C1=O ZINC000013817275 GE Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(CC3CC3)C=C2C1=O ZINC000013817279 GE Annotated Mild CCCCc1cc2c(cn1)=C(OC(=O)c1ccco1)[C@](C)(OC(=O)CC)C(=O)C=2 ZINC000013817664 GE Annotated Anodyne CCCCc1cc2c(cn1)=C(OC(=O)c1ccco1)[C@@](C)(OC(=O)CC)C(=O)C=2 ZINC000013817667 GE Annotated Anodyne CCCCc1cc2c(cn1)=C(OC(=O)C1CCCC1)[C@](C)(OC(=O)CC)C(=O)C=2 ZINC000013817770 GE Annotated Anodyne CCCCc1cc2c(cn1)=C(OC(=O)C1CCCC1)[C@@](C)(OC(=O)CC)C(=O)C=2 ZINC000013817773 GE Annotated Anodyne COC(=O)C[C@H]1c2ccccc2C2=C(C[C@@H](C)[C@H]3C(=O)NC(=O)[C@@H]23)N1C(=O)OC ZINC000013817897 GE Annotated Anodyne COc1ccc(OC)c2c1CCN1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21 ZINC000013820241 GE Annotated Anodyne COc1ccc2c(c1OC)CCN1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21 ZINC000013820249 GE Annotated Anodyne COC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1O ZINC000013823388 GE Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1 ZINC000013825563 GE Annotated Reactive C[C@H]1CCC[C@@H](C)N1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1 ZINC000013825568 GE Annotated Reactive C[C@H]1CCC[C@H](C)N1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1 ZINC000013825570 GE Annotated Reactive CCC/C(=N\OCC)C1=C(O)C[C@](O)(C[C@@H](C)S(=O)(=O)CC)CC1=O ZINC000013827820 GE Annotated Mild Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)C[C@@H](CCCO)CCCO2)nn1C ZINC000013829132 GE Annotated Anodyne Cc1cc(CNC(=O)[C@]2(C(F)(F)F)C[C@@H](CCCO)CCCO2)nn1C ZINC000013829134 GE Annotated Anodyne Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)C[C@H](CCCO)CCCO2)nn1C ZINC000013829136 GE Annotated Anodyne Cc1cc(CNC(=O)[C@]2(C(F)(F)F)C[C@H](CCCO)CCCO2)nn1C ZINC000013829138 GE Annotated Anodyne Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)C/C(=C\CCO)CCCO2)nn1C ZINC000013829191 GE Annotated Anodyne Cc1cc(CNC(=O)[C@]2(C(F)(F)F)C/C(=C\CCO)CCCO2)nn1C ZINC000013829193 GE Annotated Anodyne C=C1CCN([C@H](CC(C)C)C(=O)N2CCOCC2)S(=O)(=O)c2ccccc21 ZINC000013829827 GE Annotated Mild COC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1Br ZINC000013830043 GE Annotated Anodyne COC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1Br ZINC000013830045 GE Annotated Anodyne CC1(C)C(=O)c2ccc(Br)cc2[C@@H](Oc2ccc(=O)[nH]n2)[C@@H]1O ZINC000013832193 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C ZINC000013845387 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1C ZINC000013845391 GE 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)Nc1ccc(Cl)cc1O ZINC000013845534 GE 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)Nc1ccc(Cl)cc1O ZINC000013845537 GE Annotated Anodyne CCN(CC)Cc1cn(Cc2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)nn1 ZINC000013863000 GE Annotated Anodyne CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4ccc(C=O)c4)cc3n2n1 ZINC000013864084 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc(N/C(S)=N\N=C\c2cccc(O)c2)c1 ZINC000013878628 GE Annotated Mild COc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=O)[C@@H]1S(=O)(=O)c1ccc(F)cc1)O2 ZINC000013878691 GE Annotated Anodyne COc1ccc2nc([S@](=O)Cc3nccc(N4CCOCC4)c3F)[nH]c2c1 ZINC000013883968 GE Annotated Anodyne COc1ccc2nc([S@@](=O)Cc3cc(N4CCOCC4)c(F)cn3)[nH]c2c1 ZINC000013883971 GE Annotated Anodyne CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc2C[C@@H]1O ZINC000013916038 GE Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])ccc2c1 ZINC000013982483 GE Annotated Anodyne investigational COC(=O)[C@@]12C[C@H]3C[C@H](C(C)=O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000135647208 GE Annotated Anodyne Cc1[nH]n(-c2ccc(S(N)(=O)=O)cc2)c(=O)c1/C=C1\C=Nc2ccccc21 ZINC000135655531 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=CNN2C1=N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000135722909 GE Annotated Anodyne C=C1CC[C@H]2[C@](C)(CO)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000135726977 GE Annotated Reactive N#C[C@@H](c1ccnc(NCCN2CCOCC2)n1)c1nc2ccccc2s1 ZINC000135736033 GE Annotated Mild N#C[C@H](c1ccnc(NCCN2CCOCC2)n1)c1nc2ccccc2s1 ZINC000135736065 GE Annotated Mild COC1=C(C)[C@@H]2CC(=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 ZINC000135854428 GE Annotated Mild C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@](C)(OC(C)=O)[C@H]12 ZINC000135863606 GE Annotated Mild C[C@@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@H](N(C)C)[C@H]1O ZINC000135983129 GE Annotated Clean O=C1C=C/C(=C(/c2ccc(O)c(O)c2)c2ccccc2S(=O)(=O)O)CC1=O ZINC000136022743 GE Annotated Mild COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)[C@@H](O)[C@@H](C)[C@H]3OC(C)=O ZINC000136068568 GE Annotated Clean O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000136108797 GE Annotated Bother CC(CN)=C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 ZINC000136140795 GE Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12[C@@H](O)O[C@@H](OC)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000136368487 GE Annotated Mild O=C(NCCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000136644568 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=CNN2C1=N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000136762469 GE Annotated Anodyne CCCCn1c(=O)c2[nH]c(I)nc2n(CCCC)c1=O ZINC000136986607 GE Annotated Anodyne CCCCCCC1=Cc2c/c(=C3\NN=C(c4ccccc4)O3)c(=O)oc2=CC1=O ZINC000137067743 GE Annotated Mild O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3ccc(-c4ccccc4)cc3)c(=O)c12 ZINC000137079552 GE Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])ccc2c1 ZINC000137101051 GE Annotated Anodyne investigational COc1ccc2cc([C@@H](C)C(=O)OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])ccc2c1 ZINC000137101095 GE Annotated Anodyne investigational C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C/C(C)=C/C(=O)[C@@H](OCC)CC(=O)C1)[C@H]2O ZINC000137180244 GE Annotated Mild CCOC(=O)COC(=O)c1c(CC)n(O)c2cc(Cl)c(Cl)cc2[n+]1=O ZINC000137260947 GE Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C ZINC000137296035 GE Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C ZINC000137296076 GE Annotated Anodyne CCOc1ccc(C(=O)C/C=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 ZINC000137636373 GE Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4nc5cn(C)ccc-5c4c3)C[C@H]12 ZINC000137837623 GE Annotated Anodyne C[C@@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1 ZINC000137944345 GE Annotated Anodyne C[C@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1 ZINC000137944415 GE Annotated Anodyne CC(C)=CCC[C@H](C)/C=C/C=C(\C)C(=O)N/C(N)=N/CCCCN=C(N)N ZINC000137948049 GE Annotated Mild CC[C@@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1 ZINC000137968121 GE Annotated Anodyne CC[C@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1 ZINC000137968241 GE Annotated Anodyne COC(=O)[C@H]1[C@@H](C)OC[C@H]2[C@@H]3N(C(C)=O)c4ccccc4[C@@]34CCN(C)[C@H]4C[C@H]21 ZINC000138022402 GE Annotated Anodyne COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1 ZINC000138193816 GE Annotated Anodyne Cc1ccc(NC(=O)C(=O)CC(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1C ZINC000138311553 GE Annotated Anodyne Cc1ccccc1NC(=O)C(=O)CC(=O)c1c(C)n(O)c2ccccc2[n+]1=O ZINC000138394124 GE Annotated Anodyne CC/C=C/CCC1=C(C)C(=O)[C@]2(O1)C(=O)N[C@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000138469924 GE Annotated Mild C=CC[C@]12C[C@H](OC)[C@@H](O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000138553790 GE Annotated Mild CO[C@]1(/C=C/C(C)(C)O)O[C@H]2CC(C)=CC(=O)[C@@]2(OC(=O)CC(C)C)[C@@]1(C)O ZINC000138591931 GE Annotated Mild COC(=O)C[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C=O)[C@@H]4CC1)[C@H]32 ZINC000138702577 GE Annotated Anodyne COc1cccc(CN2Cc3c(nc4cc(-c5ccco5)[nH]n4c3=O)C2=O)c1 ZINC000138735875 GE Annotated Anodyne COc1ccc(CN2Cc3c(nc4cc(-c5ccco5)[nH]n4c3=O)C2=O)cc1 ZINC000138736600 GE Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000139305440 GE Annotated Anodyne COc1cc2nc(CC(=O)NCC(=O)NCC#N)sc2cc1-c1ccccc1 ZINC000139331927 GE Annotated Mild COc1cc([C@H]2[C@@H]3C[C@H](C[C@@]2(O)CC(=O)c2ccccc2)OC3=O)oc(=O)c1 ZINC000139366964 GE Annotated Anodyne COCCN1C(=O)[C@]2(N=C1N)c1cc(Cl)ccc1CC21CCC(OC)CC1 ZINC000139433503 GE Annotated Anodyne COCCN1C(=O)[C@@]2(N=C1N)c1cc(Cl)ccc1CC21CCC(OC)CC1 ZINC000139433614 GE Annotated Anodyne CO[C@H]1C[C@]23CCN(C)C(=O)[C@H]4[C@@H](C)OC[C@@H]([C@@H]2N(C(C)=O)c2ccccc23)[C@@H]14 ZINC000139443626 GE Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)C[C@H](C)O)CC[C@@]31CCN(C)C2 ZINC000139612533 GE Annotated Anodyne C=C(CO)C(=O)OC/C1=C\C[C@@H]2C(=C)C(=O)O[C@H]2C/C(COC(C)=O)=C\CC1 ZINC000139654187 GE Annotated Mild C[C@@H](c1ccc(Br)cc1)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O ZINC000139735082 GE Annotated Anodyne C[C@H](c1ccc(Br)cc1)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O ZINC000139735180 GE Annotated Anodyne CC[C@H](C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)/C=C/OC ZINC000139755972 GE Annotated Mild COc1ccc2c(OCc3nnc4ccc(C#CC(C)(C)O)nn34)ccnc2c1 ZINC000139885564 GE Annotated Mild COc1ccccc1CN1Cc2c(nc3cc(-c4ccco4)[nH]n3c2=O)C1=O ZINC000139888251 GE Annotated Anodyne COc1ccc2c(OCc3nnc4ccc(C#CCN(C)C)nn34)ccnc2c1 ZINC000139901123 GE Annotated Mild C[C@@H]1O[C@@H](O[C@H](C)CCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000139961554 GE Annotated Anodyne C[C@@H](CC[C@H](O)C(C)(C)O)C1=CC[C@@](C)(O)[C@@H]1CC1=C(O)[C@@H](O)CCC1=O ZINC000014413591 GE Annotated Mild COC1=CC(=O)[C@@]2(C1)[C@@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C[C@]21CCN3C ZINC000014413755 GE Annotated Reactive COC1=CC(=O)[C@]2(C1)[C@@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C[C@]21CCN3C ZINC000014413759 GE Annotated Reactive in-vitro biogenic COc1cc([C@H](O)[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O ZINC000014435806 GE Annotated Anodyne COc1cc(O)cc([C@@H](O)[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)c1 ZINC000014435949 GE Annotated Anodyne in-vitro biogenic COc1ccc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2OC)cc1OC ZINC000014438060 GE Annotated Anodyne Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(N(C)C)n1 ZINC000140008385 GE Annotated Anodyne Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(CN(C)C)n1 ZINC000140033267 GE Annotated Anodyne NC/C=C/c1cnc(NC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 ZINC000140182381 GE Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@@H]2[C@H](OC(C)=O)[C@]3(C)C[C@@H](OC(C)=O)C(C)(C)[C@@H]3[C@@]12O ZINC000140205385 GE Annotated Mild CC1=C[C@@H]([C@H]2O[C@@H]3CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)CC[C@H]4[C@H]3[C@@H]2C)OC1=O ZINC000140328855 GE Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(I)c(OC(C)=O)c1 ZINC000140434893 GE Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)CN1CCCCC1)C2 ZINC000140444255 GE Annotated Anodyne C=C([C@H](O)[C@@H](O)/C=C(/C)COC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000140480849 GE Annotated Mild N=C(N)c1ccc(C2=NO[C@H](CC(=O)N3CCCCC[C@H]3CC(=O)O)C2)cc1 ZINC000140482375 GE Annotated Anodyne N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N3CCCCC[C@H]3CC(=O)O)C2)cc1 ZINC000140482541 GE Annotated Anodyne O=c1oc2cc(O)c(CC=C(CO)CO)cc2cc1-c1cc2c(cc1O)OCO2 ZINC000141162012 GE Annotated Anodyne Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)N2CCOCC2)cn1 ZINC000141364494 GE Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@]2(C)O[C@@H]2[C@@H](O)[C@@H]3C(C)C)[C@](C)(OC(C)=O)CC[C@@H]1O ZINC000141531890 GE Annotated Mild Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)N2CCOCC2)cn1 ZINC000141722099 GE Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)CCN1CCCC1)C2 ZINC000141792192 GE Annotated Anodyne CCN(CC)CC(=O)N1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OC)ccc(c23)C1 ZINC000141830728 GE Annotated Anodyne CN1CCOc2cc(-c3cc4ncccc4c(OC[C@@H]4CNC(=O)C4)n3)cnc21 ZINC000141863141 GE Annotated Anodyne CN1CCOc2cc(-c3cc4ncccc4c(OC[C@H]4CNC(=O)C4)n3)cnc21 ZINC000141863335 GE Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000141933157 GE Annotated Anodyne Cn1c2c(c3ccc(N4CCN(CCc5ccccc5)CC4=O)nc31)CNCC2 ZINC000142039615 GE Annotated Anodyne COc1cc([C@H]2Oc3cc(/C=C/C=O)cc(OC)c3O[C@@H]2CO)cc(O)c1O ZINC000142393204 GE Annotated Reactive CS(=O)(=O)NC1CCN(c2cc(-c3ccc(F)cn3)c(Cl)cn2)CC1 ZINC000142519339 GE Annotated Anodyne CC(C)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142861203 GE Annotated Anodyne CC(C)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142861406 GE Annotated Anodyne CCN/C(=N\S(=O)(=O)c1ccc2c(c1)CCN2)N1CC2(C=N1)CCCC2 ZINC000142870544 GE Annotated Mild CN(C)CCCN(C)S(=O)(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000142888379 GE Annotated Anodyne CCCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142895601 GE Annotated Anodyne CCCC#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142895799 GE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C3=CCOCC3)ccc1-2 ZINC000142907361 GE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C3=CCOCC3)ccc1-2 ZINC000142907520 GE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OCC3CC3)ccc1-2 ZINC000142921652 GE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(-c3ccncc3)ccc1-2 ZINC000142929038 GE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(-c3ccncc3)ccc1-2 ZINC000142929258 GE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2 ZINC000142946635 GE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(COCC3CC3)ccc1-2 ZINC000142981168 GE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2 ZINC000143015712 GE Annotated Anodyne Cc1ccn2nc3c(c2n1)CN([C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3 ZINC000143046612 GE Annotated Anodyne CC(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000143089665 GE Annotated Anodyne CC(C)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cc2ncn(C)c(=O)c12 ZINC000143109680 GE Annotated Anodyne CC(C)Oc1nccc2[nH]nc(-c3ccnc(C(=O)N4C[C@@H]5C[C@H]4CO5)c3)c12 ZINC000143265779 GE Annotated Anodyne CC(=O)O[C@@H]1C=CC(C)(C)[C@H]2CC[C@@]3(O)[C@@H](O)C4=C(C)C(=O)O[C@@H]4C[C@H]3[C@]12C ZINC000143268575 GE Annotated Anodyne O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(OCCO)C1 ZINC000143338126 GE Annotated Anodyne O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(OCCO)C1 ZINC000143338340 GE Annotated Anodyne CN(CC(=O)O)C(=O)COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143499402 GE Annotated Anodyne CN(CC(=O)O)C(=O)COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143499554 GE Annotated Anodyne COC(=O)C1=CNC[C@H]2[C@@H]1C[C@H](OC(=O)c1cnc(C)c3cnccc13)[C@@H]2C ZINC000143780350 GE Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@](C)(O)[C@](C)(/C=C/C2=CC(=O)OC2)[C@H]2CCC=C(C)[C@@]21C ZINC000143815721 GE Annotated Anodyne COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N)nc3n2)cc1CO ZINC000143830393 GE Annotated Anodyne CC[C@H](Oc1ccc2c(c1)OCCn1cc(-c3ncnn3C(C)C)nc1-2)C(N)=O ZINC000144052359 GE Annotated Anodyne CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(O[C@H](C)C(N)=O)cc1OCC2 ZINC000144065295 GE Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000144106278 GE Annotated Anodyne FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccn5nccc5c4)c3n2)cn1 ZINC000144190340 GE Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(OC)cc21 ZINC000144434393 GE Annotated Anodyne Cc1ccc2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 ZINC000144456316 GE Annotated Anodyne OCC1CCN(c2nccnc2C2CN(c3ccc4cccnc4n3)C2)CC1 ZINC000144483047 GE Annotated Anodyne Cc1cc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)no1 ZINC000144486195 GE Annotated Anodyne C=C1CCC[C@@H]2CCC[C@@H](C/C=C/C(=O)O[C@H](CO)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000144516912 GE Annotated Mild CN1C(=N)N[C@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)CS1(=O)=O ZINC000144604484 GE Annotated Anodyne NC(=O)c1cc(C(=O)N2CCC2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144735515 GE Annotated Anodyne NC(=O)c1cc(C(=O)N2CCC2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144735719 GE Annotated Anodyne CNC(=O)N1CC(NC(=O)c2cnc(N)c3cc(-c4cccc(F)c4)ccc23)C1 ZINC000144769849 GE Annotated Anodyne CN(CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO ZINC000144813046 GE Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO ZINC000144813257 GE Annotated Anodyne CN(CCO)C(=O)COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144824082 GE Annotated Anodyne CN(CCO)C(=O)COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144824294 GE Annotated Anodyne Cc1ccnc(Nc2cc3ncn(C)c(=O)c3c(N[C@@H]3CC[C@H](O)CC3)n2)c1 ZINC000144893356 GE Annotated Anodyne C=C(C)[C@@H]1C/C=C2\C(=O)O[C@H](C/C(C)=C\C(=O)[C@@H](OCC)CC(=O)C1)[C@H]2O ZINC000144987449 GE Annotated Mild COc1c2c(cc3ccoc13)C(=O)[C@]1(O)c3cc4c(cc3OC[C@H]1O2)OCO4 ZINC000014502285 GE Annotated Anodyne in-man endogenous COc1c2c(cc3ccoc13)C(=O)[C@@]1(O)c3cc4c(cc3OC[C@H]1O2)OCO4 ZINC000014502290 GE Annotated Anodyne in-man endogenous COc1c2c(cc3ccoc13)C(=O)[C@@]1(O)c3cc4c(cc3OC[C@@H]1O2)OCO4 ZINC000014502292 GE Annotated Anodyne in-man endogenous Cc1cc(=O)c2c(O)c3c(c([C@@H](O)[C@@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3 ZINC000014511593 GE Annotated Anodyne Cc1cc(=O)c2c(O)c3c(c([C@H](O)[C@@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3 ZINC000014511596 GE Annotated Anodyne Cc1cc(=O)c2c(O)c3c(c([C@@H](O)[C@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3 ZINC000014511599 GE Annotated Anodyne Cc1cc(=O)c2c(O)c3c(c([C@H](O)[C@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3 ZINC000014511601 GE Annotated Anodyne O=C(N[C@@H](Cc1cnc[nH]1)C(=O)O)c1c[nH]c2cc(Br)ccc12 ZINC000014517395 GE Annotated Anodyne COC(=O)C1=CNC(=O)[C@@H]([C@H](C)O)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 ZINC000014583384 GE Annotated Anodyne C=C1CC[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)=CC2=O ZINC000014584813 GE Annotated Mild in-man endogenous C=C1CC[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)=CC2=O ZINC000014584814 GE Annotated Mild in-man endogenous C=C1CC[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)=CC2=O ZINC000014584816 GE Annotated Mild in-man endogenous C=C1CC[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)=CC2=O ZINC000014584818 GE Annotated Mild in-man endogenous CCOC(=O)/C(C[C@@H](C)C(=O)OCC)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000014592711 GE Annotated Mild COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3[C@@]1(OC)C2=O)OCO4 ZINC000014592960 GE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3([O-])CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 ZINC000014594503 GE Annotated Bother COc1ccc(C[C@H]2c3c(cc4c(c3O)OCO4)CCN2C)c(CO)c1OC ZINC000014612476 GE Annotated Clean Cc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@]2(O)C[C@@H]1C(=O)c1c(O)cc(C)cc12 ZINC000014612534 GE Annotated Mild O=C1C(Cl)=CC2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12[C@H](O)CCC3=O ZINC000014636379 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C/C(=C/CO)[C@H](C[C@H]41)C1=CCC(=O)N2[C@@H]13 ZINC000014681404 GE Annotated Anodyne C/C=C1\CN2[C@@H](OC)C[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(C=O)C(=O)OC ZINC000014686322 GE Annotated Mild COC(=O)/C(=C\C1=C(C(=O)O)[C@]23CCCC(C)(C)[C@@H]2[C@@H](OC3=O)C1=O)C(C)C ZINC000014688406 GE Annotated Mild in-man endogenous COC(=O)/C(=C\C1=C(C(=O)O)[C@]23CCCC(C)(C)[C@H]2[C@@H](OC3=O)C1=O)C(C)C ZINC000014688408 GE Annotated Mild in-man endogenous CC(=O)OC[C@@](C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689072 GE Annotated Bother in-man CC(=O)OC[C@](C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689074 GE Annotated Bother in-man CC(=O)OC[C@@](C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689076 GE Annotated Bother in-man CC(=O)OC[C@](C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689078 GE Annotated Bother in-man C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)[C@H](C)[C@@H]2CC[C@H]1[C@H](OC)O2 ZINC000014693987 GE Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)[C@H](C)[C@@H]2CC[C@H]1[C@@H](OC)O2 ZINC000014693989 GE Annotated Anodyne in-man endogenous C=C1C/C(=C\C)C(=O)O[C@@H]2CC(=O)n3ccc(c32)COC(=O)[C@]1(C)OC(C)=O ZINC000014695613 GE Annotated Mild COc1cc(C(=O)[C@H](CO)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000014720505 GE Annotated Anodyne COCC1=C2C(=C3[C@@H](CC[C@@]3(C)O)[C@](C)(OC)C[C@@H]2OC(=O)C(C)C)OC1=O ZINC000014758202 GE Annotated Anodyne COc1cc(O)c(Cl)c2c1C(=O)c1c(O)c(C(=O)O)c(C)c(O)c1C2=O ZINC000014760967 GE Annotated Clean COC(=O)c1c(OC)c(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1OC ZINC000014761008 GE Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(OC(=O)c3c(ccc(OC)c3O)C1=O)N(C)CC2 ZINC000014768445 GE Annotated Anodyne CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](O)[C@@]21CO1 ZINC000014771146 GE Annotated Anodyne in-man endogenous CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](O)[C@@]21CO1 ZINC000014771148 GE Annotated Anodyne in-man endogenous CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@@H](O)[C@@]21CO1 ZINC000014771151 GE Annotated Anodyne in-man endogenous CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2C1=C[C@@H](O)[C@@]21CO1 ZINC000014771154 GE Annotated Anodyne in-man endogenous CC(=O)Oc1cc2c(c(OC(C)=O)c1OC(C)=O)C(=O)c1ccccc1C2=O ZINC000014775050 GE Annotated Clean COC(=O)C1=C[C@@]23C=CCN4CC[C@@]5(c6ccc7c(c6N[C@]15CC2)OCO7)[C@@H]43 ZINC000014827756 GE Annotated Anodyne in-vitro biogenic COc1cc(OC)c2c(c1)C(=O)O[C@H]2c1coc(C[C@@H](C)OC(C)=O)cc1=O ZINC000014828366 GE Annotated Anodyne COC(=O)[C@@]1(O)C[C@]2(C(C)=O)CCCN3CCc4c(n1c1cc(OC)ccc41)[C@@H]32 ZINC000014829341 GE Annotated Anodyne CC[C@@]12CC[C@@H]3N(C(C)=O)c4c(ccc(OC)c4O)[C@@]34CCN(CC[C@@H]1O)[C@@H]24 ZINC000014850346 GE Annotated Anodyne Cc1occc1C(=O)Nc1cnn(CC(=O)N(C)C[C@@H](O)c2ccccc2)c1 ZINC000014881474 GE Annotated Anodyne Cc1occc1C(=O)Nc1cnn(CC(=O)N(C)C[C@H](O)c2ccccc2)c1 ZINC000014881475 GE Annotated Anodyne COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)CCn2ccc(C)n2)O3)nn1 ZINC000014884261 GE Annotated Anodyne COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)CCn2ccc(C)n2)O3)nn1 ZINC000014884263 GE Annotated Anodyne COc1ccc([C@@]2(O)c3c(ccc(/C=C/C(C)=O)c3O)NC(=O)[C@@H]2OC)cc1 ZINC000014886578 GE Annotated Mild CC(C)=CC(=O)/N=c1/[nH]c2c([nH]1)C(C)c1[nH]/c(=N\C(=O)C=C(C)C)[nH]c1CC2 ZINC000014887717 GE Annotated Anodyne CN(C=O)CCc1cn(C)c2c1C(=O)c1c(-c3ccc(O)cc3)c[nH]c1C2=O ZINC000014888128 GE Annotated Clean COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)ccc54)[C@@H]3C[C@H]12 ZINC000014917645 GE Annotated Anodyne CC(=O)O[C@@H]1OCC=C2CN3CC[C@]45c6ccccc6N(C(C)=O)[C@H]4[C@H]1[C@H]2C[C@H]35 ZINC000014919894 GE Annotated Anodyne COC(=O)C[C@@H]1c2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@H]1C(=O)OC ZINC000014920191 GE Annotated Anodyne in-man endogenous CO[C@@]1([C@H]2[C@@H](O)C=C(CCC(C=O)=C(C)C)C(=O)OC2(C)C)C=C(C)C(=O)O1 ZINC000014921366 GE Annotated Reactive COc1cc2c(c(OC)c1OC)CCCN1CCC3=C[C@H](O)[C@H](OC)C[C@]321 ZINC000014929834 GE Annotated Anodyne CN1[C@H](CO)c2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@@H]12)OCO4 ZINC000014930725 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccco3)c(N)n2)cc1 ZINC000014945654 GE Annotated Anodyne Cc1c2c(c(CNC(=O)CN(C)C)c3c1[nH]c1ccccc13)C(=O)N(C)C2=O ZINC000014945864 GE Annotated Anodyne O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(Cl)c(C(=O)O)c1 ZINC000014946024 GE Annotated Bother CCN[C@H](C#Cc1c(F)ccc2c1/C(=C/c1[nH]ccc1OC)C(=O)N2)[C@@H](C)O ZINC000014947114 GE Annotated Mild C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)[C@H](N)C(=O)N1CCC(F)(F)C1 ZINC000014947725 GE Annotated Anodyne NC(=O)CCC(=O)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000014950036 GE Annotated Anodyne NC(=O)CCC(=O)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000014950039 GE Annotated Anodyne CC(C)(CNC(=O)c1coc(COc2cccc(F)c2F)n1)N1CCOCC1 ZINC000014951134 GE Annotated Anodyne C#Cc1cc(O[C@H]2CCOC2)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 ZINC000014953318 GE Annotated Mild C#Cc1cc(O[C@H]2CCOC2)cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 ZINC000014953322 GE Annotated Mild C#Cc1cc(O[C@@H]2CCOC2)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 ZINC000014953336 GE Annotated Mild C#Cc1cc(O[C@@H]2CCOC2)cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 ZINC000014953340 GE Annotated Mild CCc1ncc(CN[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 ZINC000014956537 GE Annotated Anodyne CCc1ncc(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 ZINC000014956541 GE Annotated Anodyne CC(=O)O[C@H]1C=C[C@@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC21Oc2cccc3cccc(c23)O1 ZINC000014958790 GE Annotated Anodyne O=C([C@@H]1Cc2ccc(-c3cccc(-c4nnn[nH]4)c3)cc2CN1)N1CC[C@H](F)C1 ZINC000014958964 GE Annotated Anodyne N=C1NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)c(Cl)c3)o2)S1 ZINC000014963249 GE Annotated Anodyne CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1OCCN ZINC000014965095 GE Annotated Anodyne NC(=O)COc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014966933 GE Annotated Anodyne NC(=O)COc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014966937 GE Annotated Anodyne COc1ccc(CCN2C[C@@H](C(=O)NCc3c(C)n[nH]c3C)CCC2=O)cc1 ZINC000014977734 GE Annotated Anodyne COc1ccc(CCN2C[C@H](C(=O)NCc3c(C)n[nH]c3C)CCC2=O)cc1 ZINC000014977737 GE Annotated Anodyne COCCNc1ccc2c(c1)nc(Cc1ccc3c(c1)OCO3)n1nc(N)nc21 ZINC000145002545 GE Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@H]2C(=O)OC(C)(C)CN2S(C)(=O)=O)cc1 ZINC000145059674 GE Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2S(C)(=O)=O)cc1 ZINC000145059900 GE Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(Br)o3)nc12 ZINC000145105774 GE Annotated Anodyne C=C(C)[C@H]1c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)[C@@H](O)/C=C2/C(=O)O[C@@H]1[C@@H]2O ZINC000145406736 GE Annotated Mild COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c(N)c2)c(OC)c1 ZINC000145855498 GE Annotated Anodyne O=C1NC(=S)N/C1=C\c1ccc(-c2ccc3c(c2)CN(CCCO)C3=O)s1 ZINC000145930889 GE Annotated Anodyne CN1C(=O)C[C@H](c2ncncc2F)N=C1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000146170212 GE Annotated Anodyne CN1C(=O)C[C@@H](c2ncncc2F)N=C1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000146170403 GE Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2CN(c3nc(-c4ncncc4F)cc(=O)n3C)CCN2)cc1 ZINC000146170587 GE Annotated Anodyne [C-]#[N+]c1ccc([C@H]2CN(c3nc(-c4ncncc4F)cc(=O)n3C)CCN2)cc1 ZINC000146170785 GE Annotated Anodyne O=C1C=CN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)c(F)c2F)CC1 ZINC000146408734 GE Annotated Mild COC(=O)NC[C@H]1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1 ZINC000146602933 GE Annotated Mild Cc1cccnc1-c1nc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl ZINC000146773548 GE Annotated Anodyne CO[C@H]1CCN(c2ccc(-c3c(C)nc4c(N5CCOCC5)nccn34)cn2)C1 ZINC000146878544 GE Annotated Anodyne C=C[C@H]1C[N+]2([O-])CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000147305348 GE Annotated Mild N#CCNC(=O)Cc1nnc(Cc2nc3c(Br)cccc3s2)o1 ZINC000147405257 GE Annotated Mild Cc1sc(-c2ncc(C#N)cc2O)nc1CC(=O)NCCc1ccccn1 ZINC000147531203 GE Annotated Anodyne O=S(=O)(c1ccccc1)c1cc(-n2cncn2)c2oc3c(c2c1)CNCC3 ZINC000147573959 GE Annotated Anodyne N#Cc1cnc(-c2nc(CC(=O)N[C@@H](CO)c3ccccc3)cs2)c(O)c1 ZINC000147624688 GE Annotated Anodyne CCN(CC)CCNC(=O)Cc1nc(-c2ncc(C#N)c(C)c2O)sc1C ZINC000147667988 GE Annotated Anodyne N#Cc1cnc(-c2nc(CC(=O)N[C@H](CO)c3ccccc3)cs2)c(O)c1 ZINC000147765172 GE Annotated Anodyne Cc1c(C#N)cnc(-c2nc(CC(=O)NCCc3ccccn3)cs2)c1O ZINC000147999219 GE Annotated Anodyne CC(C)n1nc(-c2cnc(N)c3cn[nH]c23)cc1[C@@H]1[C@H]2CN(C3COC3)C[C@H]21 ZINC000148076927 GE Annotated Anodyne Cc1ncnc(-c2cccc(C(=O)N3CCOCC3)c2)c1C#Cc1ccc(N)nc1 ZINC000148678376 GE Annotated Mild Cc1ncnc(N2CCC(O)(C(F)(F)F)CC2)c1C#Cc1ccc(N)nc1 ZINC000148830831 GE Annotated Mild CCc1ncnc(N2CCC(OCCOC)CC2)c1C#Cc1ccc(N)nc1 ZINC000148895447 GE Annotated Mild CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4(F)COC4)C3=C2)cn1 ZINC000149082179 GE Annotated Anodyne COc1cccc2c1CCN1C(=O)CN=C(c3cnc4c(c3)OCCN4C)C=C21 ZINC000149103051 GE Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-n4nccn4)c3CCN12 ZINC000149126320 GE Annotated Anodyne CCc1ncnc(N2CCC3(CC2)OCCCO3)c1C#Cc1ccc(N)nc1 ZINC000149160477 GE Annotated Mild COCc1ncn(C2=NCC(=O)N3CCc4c(ccc(F)c4C4CC4)C3=C2)n1 ZINC000149241624 GE Annotated Anodyne COC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C4CC4)c3)C=C21 ZINC000149242441 GE Annotated Anodyne CCc1ncnc(N2CCN(c3ccccn3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149260740 GE Annotated Mild Cc1ncnc(N2CCC3(CCN(C)CC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149261169 GE Annotated Mild CCc1ncnc(N2CCN(c3ccncc3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149303447 GE Annotated Mild CCc1ncnc(N2CCN(c3cccnc3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149303932 GE Annotated Mild CCN(C)C(=O)CC1CCN(c2ncnc(C)c2C#Cc2ccc(N)nc2)CC1 ZINC000149314810 GE Annotated Mild CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000149351471 GE Annotated Mild C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC2CC2)C3=O)C[C@@H](C)[C@@H]1O ZINC000149630203 GE Annotated Anodyne FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1 ZINC000149840760 GE Annotated Anodyne N#CCNC(=O)Cc1nnc(Cc2cnc3cc(-c4ccccc4)ccc3n2)o1 ZINC000149865359 GE Annotated Mild C#CCNc1cccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)cc1=O ZINC000001539098 GE Annotated Mild CC(C)(C)NC[C@@H](O)COC[C@H]1CN/C(=N/c2c(Cl)cccc2Cl)N1 ZINC000001542469 GE Annotated Mild N[C@H](Cc1nc2cc(Cl)c(Cl)cc2cc1CP(=O)(O)O)C(=O)O ZINC000001542746 GE Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC(=O)c3ccoc3)[C@@H](C)C(=O)C[C@@H]2[C@H](CO)[C@H]1O ZINC000001586874 GE Annotated Anodyne CCOC(=O)NN(C(=O)OCC)C(C(=O)c1ccc(Cl)cc1)=C1NCCN1 ZINC000001614247 GE Annotated Reactive C[C@@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@H]2S(=O)(=O)c1ccccc1 ZINC000001617495 GE Annotated Anodyne CCOC(=O)COc1ccc(OCC(=O)OCC)c2c1C(=O)CCCC2=O ZINC000001617917 GE Annotated Anodyne COC1=C(C)[C@@H]2CC(=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 ZINC000001618686 GE Annotated Anodyne CC(=O)N1CC[C@]2(c3ccccc3N(C(C)=O)[C@H]2c2ccc(O)cc2)[C@H]1C(=O)O ZINC000001619892 GE Annotated Anodyne COC(=O)[C@@]12C(=O)C=CC(=O)[C@@H]1[C@@H]1C(=C[C@@H]2C)O[C@H]2OC3(CCCCC3)O[C@H]21 ZINC000001625145 GE Annotated Mild CS(=O)(=O)c1ccc(CO[P@](N)(=O)N(CCCl)CCCl)cc1 ZINC000001625792 GE Annotated Reactive Nn1c(CCCl)nc2c(Br)cc(Br)cc2c1=O ZINC000001626374 GE Annotated Reactive C/C=C1\CN(C)C[C@@]2(C(=O)OC)Cc3c(n(OC)c4ccccc34)C(=O)C[C@@H]12 ZINC000001630579 GE Annotated Anodyne COc1ccc([C@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC ZINC000001632104 GE Annotated Reactive COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC ZINC000001632105 GE Annotated Reactive O=S(=O)(c1ccccc1)[C@]1(CCC2OCCO2)C=CC2(CC1)OCCO2 ZINC000001636577 GE Annotated Anodyne CC(=O)c1ccc(N2CCN(C3=CC(=O)c4c(O)ccc(O)c4C3=O)CC2)cc1 ZINC000001637743 GE Annotated Mild CO[C@]12COC(=O)[C@H]1[C@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3 ZINC000001640584 GE Annotated Anodyne COC(=O)[C@@H]1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000001645079 GE Annotated Anodyne Nc1nc(Cl)c(N)c(NC[C@]2(CO)CC[C@H](OCc3ccccc3)C2)n1 ZINC000001645760 GE Annotated Anodyne Nc1nc(Cl)c(N)c(NC[C@]2(CO)CC[C@@H](OCc3ccccc3)C2)n1 ZINC000001645761 GE Annotated Anodyne Nc1nc(Cl)c(N)c(NC[C@@]2(CO)CC[C@H](OCc3ccccc3)C2)n1 ZINC000001645762 GE Annotated Anodyne Nc1nc(Cl)c(N)c(NC[C@@]2(CO)CC[C@@H](OCc3ccccc3)C2)n1 ZINC000001645763 GE Annotated Anodyne NC(=S)Nc1nc(=S)[nH]c2c1SC1=N/C(=C\c3ccco3)C(=O)N12 ZINC000001649793 GE Annotated Anodyne CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccc(C#N)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000001651499 GE Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3ccccc3c(=O)n2N)c(S)cc1Cl ZINC000001655884 GE Annotated Anodyne COc1cc(/C=N/n2c(-c3ccccc3)nn(C(C)=O)c2=O)cc(OC)c1OC ZINC000001658403 GE Annotated Mild CC(=O)CC1(O)C(=O)c2c(Br)sc(Br)c2C1=O ZINC000001658693 GE Annotated Anodyne CSc1nc2c(c(N3CCOCC3)n1)[C@H](O)n1c(nc3ccccc31)S2 ZINC000001658788 GE Annotated Anodyne COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1ccco1 ZINC000001660531 GE Annotated Reactive COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccco1 ZINC000001660532 GE Annotated Reactive COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1ccco1 ZINC000001660533 GE Annotated Reactive COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1ccco1 ZINC000001660534 GE Annotated Reactive CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1ccco1 ZINC000001660591 GE Annotated Reactive CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccco1 ZINC000001660592 GE Annotated Reactive CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1ccco1 ZINC000001660593 GE Annotated Reactive CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1ccco1 ZINC000001660594 GE Annotated Reactive COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1 ZINC000001832821 GE Annotated Anodyne COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccnc1 ZINC000001832822 GE Annotated Anodyne COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccnc1 ZINC000001832823 GE Annotated Anodyne O=C(/N=C1/NC[C@H](CN2CCN(c3ccccc3)CC2)O1)Nc1ccccc1 ZINC000001860046 GE Annotated Mild O=C(O)c1cccc(OCCOc2cccc(C(=O)O)c2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000001860410 GE Annotated Bother Cc1ccc(C)c(COCCOCn2cc(Br)c(N)nc2=O)c1 ZINC000001861490 GE Annotated Anodyne Cc1ccccc1O[C@@H](C)C(=O)NN1C(=O)CC(=O)N(c2ccccc2)C1=S ZINC000001863329 GE Annotated Anodyne CN(C)c1ccc(/C=C2\N=C(N/N=C/c3ccc(N(C)C)cc3)NC2=O)cc1 ZINC000001863891 GE Annotated Mild CC(C)Cn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)C[C@@H]1CCCO1 ZINC000015061658 GE Annotated Anodyne CC(C)Cn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)C[C@H]1CCCO1 ZINC000015061660 GE Annotated Anodyne COC(=O)[C@@H]1CCCN1Cc1cnc(S(=O)(=O)C(C)C)n1CCC(C)C ZINC000015066150 GE Annotated Anodyne CC(C)c1ccc(CN2CCC[C@@](O)(CN3CCc4n[nH]cc4C3)C2=O)cc1 ZINC000015067883 GE Annotated Anodyne CC(C)c1ccc(CN2CCC[C@](O)(CN3CCc4n[nH]cc4C3)C2=O)cc1 ZINC000015067885 GE Annotated Anodyne Cn1cc(/C=C/C(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cn1 ZINC000015068968 GE Annotated Anodyne Cn1cc(/C=C/C(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cn1 ZINC000015068970 GE Annotated Anodyne CC(C)CS(=O)(=O)c1ncc(CN2CCC[C@H]2CO)n1Cc1ccccc1 ZINC000015072892 GE Annotated Anodyne CCS(=O)(=O)c1ncc(CN(C)Cc2ccncn2)n1Cc1ccccc1 ZINC000015074627 GE Annotated Anodyne CN(C)c1cc(N2C[C@H]3[C@@H](C2)OC(=O)N3CCCc2ccc(F)cc2)ncn1 ZINC000015076821 GE Annotated Anodyne CCS(=O)(=O)c1ncc(CN(C)CCOC)n1CCCc1ccccc1 ZINC000015077276 GE Annotated Anodyne Cn1c(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccn3)C2)nc2ccccc21 ZINC000015078225 GE Annotated Anodyne Cn1c(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)nc2ccccc21 ZINC000015078228 GE Annotated Anodyne C=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)CC(C)=C1C(=O)C=C(C)[C@H]12 ZINC000015109892 GE Annotated Mild CSc1c(C(=O)c2nc(C(=O)O)cc3c2[nH]c2ccc(O)cc23)n(C)c[n+]1C ZINC000015147749 GE Annotated Anodyne COC1=CC(=O)C=C(C(=O)O)[C@@]12Oc1c(Cl)c(C)c(Cl)c(O)c1C2=O ZINC000015200225 GE Annotated Mild CC(C)=CC[C@@]1(C)C(=O)C(C(=O)C(C)C)=C2O[C@H](C(C)(C)O)C[C@]2(O)C1=O ZINC000015222339 GE Annotated Mild C[C@H]1Cc2c(c(O)cc3cc4c(c(O)c23)C(=O)[C@](C)(O)C(=O)C4(C)C)C(=O)O1 ZINC000015252638 GE Annotated Anodyne O=C1C=C[C@H](OC(=O)/C=C/c2ccccc2)[C@H]([C@H](O)[C@H](O)c2ccccc2)O1 ZINC000015262765 GE Annotated Anodyne CC(=O)Oc1c(C)c(C)oc(=O)c1Cc1c(OC(C)=O)c(C)c(C)oc1=O ZINC000015268755 GE Annotated Anodyne CCc1ccc([C@@H]2C[C@H](NC(=O)OC)CN(C(=O)N3CCOCC3)C2)cc1 ZINC000150014986 GE Annotated Anodyne CCc1ccc([C@H]2C[C@H](NC(=O)OC)CN(C(=O)N3CCOCC3)C2)cc1 ZINC000150015210 GE Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](NC(=O)OC)CN(C(=O)N3CCOCC3)C2)cc1 ZINC000150015408 GE Annotated Anodyne CCc1ccc([C@H]2C[C@@H](NC(=O)OC)CN(C(=O)N3CCOCC3)C2)cc1 ZINC000150015608 GE Annotated Anodyne O=C(c1cc2ncc(Br)cn2n1)N1CCc2ncsc2CC1 ZINC000150198301 GE Annotated Anodyne COCCOc1cnc(C(=O)Nc2cccc(CNc3cccnc3N)c2)cn1 ZINC000150223406 GE Annotated Anodyne C/C=C1/CN2CCc3c(n(CO)c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC ZINC000153932303 GE Annotated Anodyne CN(C)CCc1cc2c(cc1C(=O)[C@H]1OC(=O)c3c1ccc1c3OCO1)OCO2 ZINC000154865500 GE Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3ccc(OC)cc3)nn2c1O ZINC000015668898 GE Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3ccccc3OC)nn2c1O ZINC000015668922 GE Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(OC(C)C)cc3)nc2n1 ZINC000015668983 GE Annotated Anodyne CCOC(=O)Cc1c(C)nc2nc(NCc3cc(F)cc(F)c3)nn2c1O ZINC000015669036 GE Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)N(C)Cc1ccccc1)C(=O)OC(C)(C)C ZINC000015924593 GE Annotated Anodyne CN(C)C1=NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1 ZINC000015925034 GE Annotated Clean NC(=O)CCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2[n+]1[O-] ZINC000015934848 GE Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)C1 ZINC000015935078 GE Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1 ZINC000015943227 GE Annotated Anodyne C[C@H]1C[C@H](C)CN(CCCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1 ZINC000015943234 GE Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@H]4CCCC[C@H]4C)C3)sc2n1 ZINC000015943638 GE Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@H]4CCCC[C@@H]4C)C3)sc2n1 ZINC000015943640 GE Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@@H]4CCCC[C@H]4C)C3)sc2n1 ZINC000015943642 GE Annotated Anodyne COc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000015952242 GE Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OC(C)(C)C ZINC000015952262 GE Annotated Anodyne CCOC(=O)/C(N=O)=C(\C)NNC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000015952618 GE Annotated Reactive C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000015953056 GE Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000015953075 GE Annotated Anodyne COC1=C/C(=C/NN/C=C2\C=NC(=O)C(C#N)=C2Nc2ccccc2)C=CC1=O ZINC000015962505 GE Annotated Reactive CN1C(=O)[C@H](/C(N)=N/NC(=O)c2ccccc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 ZINC000015974149 GE Annotated Reactive O=C(c1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 ZINC000015974956 GE Annotated Anodyne COc1cc(C(=O)OCc2nc3ccsc3c(=O)[nH]2)c([N+](=O)[O-])cc1OC ZINC000016046695 GE Annotated Bother Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(=O)[nH]c1 ZINC000016050873 GE Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000016052474 GE Annotated Anodyne in-vivo COC(=O)c1ccc(/C=c2\s/c(=C\C(=O)c3ccccc3C)n(C)c2=O)cc1 ZINC000016404399 GE Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(CC(=S)N3CCOCC3)n2)cc1 ZINC000016940432 GE Annotated Anodyne COC(=O)[C@]1(N2CCOCC2)CC[C@@H]([C@@H](c2ccccc2)[C@@H](C)[N+](=O)[O-])C1 ZINC000016952180 GE Annotated Bother C=C1C/C(=C/C)C(=O)O[C@@H]2CC(=O)n3ccc(c32)COC(=O)[C@]1(C)OC(C)=O ZINC000165074069 GE Annotated Mild C=C1C(=O)O[C@@H]2C[C@H](CO)CC/C=C(/C(=O)OC)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000165555498 GE Annotated Mild CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)c2F)CC1 ZINC000166319846 GE Annotated Anodyne CCc1c(C)cc2c(c1O)C(=O)[C@@H]1O[C@@](C)(C(=O)OC)C(=O)C(C)(C)[C@@H]1C2=O ZINC000166590399 GE Annotated Clean CCc1c(C)cc2c(c1O)C(=O)[C@@H]1O[C@@](C)(C(=O)OC)C(=O)C(C)(C)[C@H]1C2=O ZINC000166590511 GE Annotated Clean CCc1c(C)cc2c(c1O)C(=O)[C@H]1O[C@@](C)(C(=O)OC)C(=O)C(C)(C)[C@H]1C2=O ZINC000166590647 GE Annotated Clean Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1 ZINC000167888694 GE Annotated Anodyne N#Cc1nccc(N2CC[C@@H](S(=O)(=O)c3ccccc3Br)C2)n1 ZINC000168655913 GE Annotated Mild O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccccc1Br ZINC000168708210 GE Annotated Anodyne CO[C@H](C)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000169289609 GE Annotated Anodyne CO[C@H](C)[C@H]1[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000169289610 GE Annotated Anodyne CO[C@H](C)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000169289611 GE Annotated Anodyne CO[C@H](C)[C@H]1[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000169289612 GE Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cc(CCCCO)nn3)[C@@H]2CC1 ZINC000169291669 GE Annotated Anodyne O=C(O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN21)[C@@H]35)c1n[nH]c2ccccc12 ZINC000169293143 GE Annotated Anodyne O=C(O[C@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN12)[C@@H]35)c1n[nH]c2ccccc12 ZINC000169293144 GE Annotated Anodyne O=C(O[C@@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN13)[C@H]6[C@H]52)c1n[nH]c2ccccc12 ZINC000169293145 GE Annotated Anodyne O=C(O[C@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN31)[C@H]6[C@H]52)c1n[nH]c2ccccc12 ZINC000169293146 GE Annotated Anodyne O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(C(F)(F)F)c1 ZINC000169293340 GE Annotated Anodyne O=C(COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(C(F)(F)F)c1 ZINC000169293341 GE Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169293924 GE Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169293925 GE Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169293926 GE Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1F ZINC000169294007 GE Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1F ZINC000169294008 GE Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)cc1F ZINC000169294010 GE Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)cc1F ZINC000169294012 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169294130 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169294131 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169294132 GE Annotated Anodyne CC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000169294509 GE Annotated Clean CC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000169294510 GE Annotated Clean CC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000169294511 GE Annotated Clean COc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000169294812 GE Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169294978 GE Annotated Anodyne CC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169294979 GE Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169294980 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169294988 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169294990 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169294991 GE Annotated Anodyne Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c(=O)n(-c2ccccc2)n1C ZINC000169295022 GE Annotated Anodyne Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000169295024 GE Annotated Anodyne Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000169295025 GE Annotated Anodyne Cc1c(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000169295026 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169295360 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169295361 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169295362 GE Annotated Anodyne CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1cccc(O)c1 ZINC000169295373 GE Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000169296051 GE Annotated Anodyne C[C@]12C[C@@H](c3ccccc3O1)[C@@H](C(=N)NNC(=O)c1ccc(F)cc1)C(=O)N2 ZINC000169296219 GE Annotated Reactive COC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169296730 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169296731 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169296904 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169296905 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169296906 GE Annotated Anodyne CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@@]34C[C@H]5O[C@H]6C[C@@]1([C@@H](O6)O3)[C@@]24[C@@H]5Br ZINC000169298521 GE Annotated Reactive CC(=O)Oc1ccccc1C(=O)O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN21)[C@@H]35 ZINC000169298990 GE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN12)[C@@H]35 ZINC000169298991 GE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN13)[C@H]6[C@H]52 ZINC000169298992 GE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN31)[C@H]6[C@H]52 ZINC000169298994 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000169299124 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000169299125 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000169299126 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)cc1 ZINC000169299132 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 ZINC000169299133 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 ZINC000169299134 GE Annotated Anodyne CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2)CC1 ZINC000169299906 GE Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169299914 GE Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169299915 GE Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169299916 GE Annotated Anodyne COC(=O)[C@H](C)N1C/C=C/COc2c(Cl)cc(Cl)cc2S1(=O)=O ZINC000169300408 GE Annotated Anodyne COC(=O)[C@@]12C(=O)C=CC(=O)[C@@H]1[C@@H]1C(=C[C@@H]2C)O[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000169300686 GE Annotated Mild Cc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1C ZINC000169301227 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1C ZINC000169301228 GE Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccco2)C1=O ZINC000169302578 GE Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N12 ZINC000169302798 GE Annotated Anodyne COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@@H]2C(=O)NCC(C)C)cc1 ZINC000169303109 GE Annotated Anodyne COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@H]2C(=O)NCC(C)C)cc1 ZINC000169303110 GE Annotated Anodyne O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Br)cc1 ZINC000169303683 GE Annotated Anodyne O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Br)cc1 ZINC000169303685 GE Annotated Anodyne O=C(COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Br)cc1 ZINC000169303686 GE Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(NC2CCOCC2)CC1 ZINC000169303862 GE Annotated Anodyne C[C@@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O ZINC000169304179 GE Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)N2CCSCC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000169304258 GE Annotated Mild O=c1c2ccccc2nc2sc(Nc3cccc(N4CCNCC4)c3)nn12 ZINC000169304278 GE Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169304305 GE Annotated Anodyne CC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169304307 GE Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169304309 GE Annotated Anodyne CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN[C@H]2C3C[C@@H]4C2[C@H]4C3)o1 ZINC000169306404 GE Annotated Anodyne in-man CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN[C@@H]2C3C[C@@H]4C2[C@H]4C3)o1 ZINC000169306406 GE Annotated Anodyne in-man N[S@@](=O)c1ccc(-c2ccc3ncc(-c4ccc([S@@](N)=O)cc4)n3n2)cc1 ZINC000169306693 GE Annotated Anodyne N[S@](=O)c1ccc(-c2cnc3ccc(-c4ccc([S@@](N)=O)cc4)nn23)cc1 ZINC000169306694 GE Annotated Anodyne N[S@](=O)c1ccc(-c2ccc3ncc(-c4ccc([S@@](N)=O)cc4)n3n2)cc1 ZINC000169306695 GE Annotated Anodyne N[S@](=O)c1ccc(-c2ccc3ncc(-c4ccc([S@](N)=O)cc4)n3n2)cc1 ZINC000169306697 GE Annotated Anodyne CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1cccnc1 ZINC000169307668 GE Annotated Anodyne O[C@H](COCCOC[C@@H](O)Cc1c[nH]nn1)Cc1ccc(-c2ccccc2)cc1 ZINC000169308010 GE Annotated Anodyne COc1nc(OC)c2scc([C@H]3C[C@H](OC(C)=O)[C@@H](COC(C)=O)O3)c2n1 ZINC000169308270 GE Annotated Anodyne CC[C@@H]1[C@@H]2CCCCN3[C@H]([C@@H]4C[C@@H](C)C(=O)O4)CC[C@]23[C@H]2[C@@H]1OC(=O)[C@]2(C)O ZINC000169308875 GE Annotated Anodyne CC[C@H]1[C@@H]2CCCCN3[C@H]([C@@H]4C[C@@H](C)C(=O)O4)CC[C@]23[C@H]2[C@@H]1OC(=O)[C@]2(C)O ZINC000169308876 GE Annotated Anodyne CO[P@@](=O)(O)C(O)(c1ccc(Br)cc1)[P@@](=O)(O)OC ZINC000169309281 GE Annotated Anodyne NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1cccc2ccccc12 ZINC000169309425 GE Annotated Anodyne O=C1NS(=O)(=O)c2cc(-n3cc(-c4ccccc4C(F)(F)F)nn3)ccc21 ZINC000169309503 GE Annotated Anodyne CS(=O)(=O)c1ccc(N2C[C@H](CN)[C@@H](c3cc(F)ccc3F)CC2=O)cc1 ZINC000169312405 GE Annotated Anodyne COc1ccc(-c2ccc3ncc(C(=O)NC[C@@H]4CCCO4)c(=O)n3c2)cc1 ZINC000169313151 GE Annotated Anodyne COc1ccc(-c2ccc3ncc(C(=O)NC[C@H]4CCCO4)c(=O)n3c2)cc1 ZINC000169313152 GE Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C\COc2ccc([N+](=O)[O-])c1c2 ZINC000169313411 GE Annotated Bother O=C1N[C@H](C(=O)O)Cc2ccc(nc2)OC/C=C\COc2ccc(Cl)c1c2 ZINC000169313415 GE Annotated Anodyne O=C1N[C@H](C(=O)O)CCc2cn(cn2)C/C=C\COc2ccc(Cl)c1c2 ZINC000169313429 GE Annotated Anodyne O=C1N[C@@H](C(=O)O)CCc2cn(cn2)C/C=C\COc2ccc(Cl)c1c2 ZINC000169313430 GE Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(cn2)CC/C=C\COc2ccc(Cl)c1c2 ZINC000169313431 GE Annotated Anodyne CCOC(=O)N1[C@H]2C[C@@H]([C@H](O)[C@H]2CCCCCCC(=O)O)N1C(=O)OCC ZINC000169314880 GE Annotated Anodyne CCCCS(=O)(=O)OCCNCCCCCCOS(=O)(=O)CCC ZINC000169315827 GE Annotated Mild O=NN(CCCl)C(=O)N[C@@H]1CC[C@H](NC(=O)N(CCCl)N=O)CC1 ZINC000169319038 GE Annotated Reactive O=[P@@]1(NCCBr)OCC[C@@H](OO)N1CCBr ZINC000169319591 GE Annotated Reactive O=[P@]1(NCCBr)OCC[C@@H](OO)N1CCBr ZINC000169319592 GE Annotated Reactive O=[P@@]1(NCCBr)OCC[C@H](OO)N1CCBr ZINC000169319593 GE Annotated Reactive O=[P@]1(NCCBr)OCC[C@H](OO)N1CCBr ZINC000169319596 GE Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(O)c(NC(=O)C(C)C)c2)C(=O)OC1=O ZINC000169320165 GE Annotated Reactive CN(C)C1=N[C@H]2c3ccccc3C(=[N+]([O-])O)[C@H]([C@@H]2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000169321058 GE Annotated Mild CCOC(=O)/C=C1/C(=O)N(CC(=O)OCC)c2ccc(Br)cc21 ZINC000169321216 GE Annotated Anodyne O=C1CN(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CCN1 ZINC000169321481 GE Annotated Reactive O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSCCO)cc3c(=O)c2c1 ZINC000169321946 GE Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSCCO)cc3c(=O)c2c1 ZINC000169321947 GE Annotated Bother COCCOC[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169321986 GE Annotated Bother COCCOC[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169321989 GE Annotated Bother CCc1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322213 GE Annotated Anodyne CCc1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322215 GE Annotated Anodyne CC(=O)c1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322239 GE Annotated Anodyne CC(=O)c1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322240 GE Annotated Anodyne CCc1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322257 GE Annotated Anodyne CCc1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322258 GE Annotated Anodyne CC(=O)c1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169323716 GE Annotated Anodyne CC(=O)c1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169323719 GE Annotated Anodyne COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@@H]3[N+]2(C)CCCC2)C1=O ZINC000169324035 GE Annotated Mild COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@H]3[N+]2(C)CCCC2)C1=O ZINC000169324038 GE Annotated Mild CCOc1ccccc1OC(=O)c1ccc2c(c1)S(=O)(=O)NCN2CC ZINC000169325223 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(/N=N/c2c(C)[nH]n(C(N)=S)c2=O)cc1 ZINC000169325773 GE Annotated Clean CN(C)c1cc[n+](CCOCCOCCOCCn2cnc3ccccc32)cc1 ZINC000169327278 GE Annotated Anodyne C/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 ZINC000169327935 GE Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C[C@@H](CO)NCc1cnc2ccccc2c1 ZINC000169328813 GE Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C[C@H](CO)NCc1cnc2ccccc2c1 ZINC000169328814 GE Annotated Anodyne C=CCCCCCCCCC(=O)O[C@H]1[C@@H]2Oc3nc(=N)ccn3[C@@H]2O[C@@H]1CO ZINC000169329018 GE Annotated Mild Cc1nn(C)c2nc3ccccc3c(CCNCCCNCCCN(C)C)c12 ZINC000169329247 GE Annotated Anodyne O=[N+]([O-])c1cc(C[S@@](=O)c2nnnn2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000169331773 GE Annotated Bother O=[N+]([O-])c1cc(C[S@](=O)c2nnnn2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000169331774 GE Annotated Bother O=C(O)/C=C\C(=O)Nc1ccc(CCN2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 ZINC000169332915 GE Annotated Anodyne O=C(O)/C=C\C(=O)Nc1ccc(CCN2C(=O)C[C@H](c3ccccc3)C2=O)cc1 ZINC000169332917 GE Annotated Anodyne COCCn1cc(-c2c(C(F)(F)F)nc3c(N4CCOCC4)nccn23)cn1 ZINC000169333446 GE Annotated Anodyne CCCC(=O)Oc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169336596 GE Annotated Reactive CCCCC(=O)Oc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169336598 GE Annotated Reactive O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)CBr)[C@@H]23 ZINC000169338726 GE Annotated Reactive Cc1ccc(S(=O)(=O)N2[C@@H](CO)CO[C@H]2CC(=O)c2ccc(F)cc2)cc1 ZINC000169342025 GE Annotated Anodyne COC(=O)CS[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169344123 GE Annotated Anodyne Cc1nn(C)c2nc3ccc(S(=O)(=O)O)cc3c(NCCCN(C)C)c12 ZINC000169344804 GE Annotated Anodyne N#CC1=C(N)[C@@H]2[C@@H](C=C1N)Oc1ccc(Br)cc1[C@@H]2C(C#N)C#N ZINC000169345493 GE Annotated Reactive N#CC1=C(N)[C@H]2[C@@H](C=C1N)Oc1ccc(Br)cc1[C@@H]2C(C#N)C#N ZINC000169345495 GE Annotated Reactive C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](O)/C=C\C(=O)O1 ZINC000169345509 GE Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](O)/C=C\C(=O)O1 ZINC000169345511 GE Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](O)/C=C/C(=O)O1 ZINC000169345512 GE Annotated Anodyne COc1ccc2c(c1)c(C(C)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@@H]1N ZINC000169346643 GE Annotated Anodyne COc1ccc2c(c1)c(C(C)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@H]1N ZINC000169346644 GE Annotated Anodyne CCCC(=O)c1nnc2nc(S(=O)(=O)Cc3ccccc3)nn2c1CCC ZINC000169347832 GE Annotated Anodyne C=CCn1c(=O)/c(=C\c2cccc(Cl)c2)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348717 GE Annotated Mild C=CCn1c(=O)/c(=C\c2ccccc2Cl)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348721 GE Annotated Mild COc1ccccc1/C=c1/[nH]c(=O)/c(=C\c2cccc(Cl)c2Cl)[nH]c1=O ZINC000169348741 GE Annotated Anodyne NC(=O)c1cccc2c1O/C(=C\c1cccc(OCCN3CCOCC3)c1)C2=O ZINC000169348809 GE Annotated Mild O=C1CS(=O)(=O)c2cccnc2N1Cc1ccc(F)c(OC(F)(F)F)c1 ZINC000169348910 GE Annotated Anodyne C=C(CO)C(=O)OC/C1=C/C[C@@H]2C(=C)C(=O)O[C@H]2C/C(COC(C)=O)=C/CC1 ZINC000169349565 GE Annotated Mild CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)CC(F)(F)F)cc21 ZINC000169350144 GE Annotated Anodyne CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@@H]1CNc1ccccn1 ZINC000169351911 GE Annotated Anodyne CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@H]1CNc1ccccn1 ZINC000169351912 GE Annotated Anodyne CC[C@@]12C[C@@H](C(=O)OC)C3=Nc4cc(OC)ccc4[C@@]34CCN(CCOC1=O)[C@@H]24 ZINC000169352313 GE Annotated Anodyne CC[C@@]12C[C@@H](C(=O)OC)C3=Nc4cc(OC)ccc4[C@@]34CCN(CCOC1=O)[C@H]24 ZINC000169352314 GE Annotated Anodyne CC(C)CN(NC(=O)C1CCC(=O)CC1)c1nc(C#N)ncc1Br ZINC000169352987 GE Annotated Reactive COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc32)c1C ZINC000169353746 GE Annotated Anodyne COc1cnc2c(C(=O)NCC(F)F)cn(Cc3ncnc(OC)c3C)c2c1 ZINC000169353750 GE Annotated Anodyne COC[C@H]1CCCN1C1=C(C(=O)OC)[C@]2(C(=O)OC)Sc3ccccc3[C@@H]12 ZINC000169354490 GE Annotated Anodyne CCN1C(NCCCCO)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000169354920 GE Annotated Anodyne CCN1C(NCCCCO)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000169354921 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Br ZINC000169355028 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Br ZINC000169355029 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169355608 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169355609 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169355610 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Br)c1 ZINC000169360888 GE Annotated Anodyne CC(C)[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169363187 GE Annotated Anodyne CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169363188 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C=C[C@@]52CO)[C@@]63O)CC[C@@H]41 ZINC000169363854 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@H](C=C[C@@]52CO)[C@@]63O)CC[C@@H]41 ZINC000169363856 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@H](C=C[C@@]52CO)[C@]63O)CC[C@@H]41 ZINC000169363858 GE Annotated Anodyne C=C(C)[C@H]1C/C2=C(/C(=O)OC)[C@@H]3O[C@@](C)(CC3=O)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000169365401 GE Annotated Mild COC(=O)[C@@]1(C)N[C@@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169366209 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169366210 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2cccc(C)c2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169366211 GE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000169366689 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000169366690 GE Annotated Anodyne O=C1[C@@H]2C=C(I)[C@H](C[C@@H]2OCCCCCCO)[C@]12CO2 ZINC000169370868 GE Annotated Anodyne O=C1[C@@H]2C=C(I)[C@@H](C[C@@H]2OCCCCO)[C@]12CCCO2 ZINC000169370869 GE Annotated Anodyne O=C1[C@@H]2C=C(I)[C@H](C[C@@H]2OCCCCO)[C@]12CCCO2 ZINC000169370870 GE Annotated Anodyne C=C(C(=O)OC)[C@H]1CC[C@](C)(O)[C@H](O)CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)C1 ZINC000169371077 GE Annotated Mild C[C@@H]1CC[C@]2(O)[C@]3(C)CO[C@]4(OC(=O)c5ccccc5)[C@H](O)[C@@]12CC(=O)[C@@]34C ZINC000169371251 GE Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@]2(C)CO[C@]1(OC(=O)c1ccccc1)[C@@H]3O ZINC000169371252 GE Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCN(C)C)CC(=O)O1 ZINC000169371882 GE Annotated Anodyne O=C1C[C@@]2(C(=O)O[C@H](CO)[C@H]2c2c[nH]c3ccccc23)c2ccc(O)cc2N1 ZINC000169638263 GE Annotated Anodyne Nc1ccccc1C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 ZINC000169641695 GE Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@@H]2[C@H]3OCC4=C3[C@](C)(CC[C@]2(C)[C@H]1C(C)C)[C@@H](O)CC4=O ZINC000169657264 GE Annotated Mild CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@]3(O)[C@@H]2[C@@H](C)C(=O)O[C@H]12 ZINC000169657632 GE Annotated Anodyne C=C1[C@@H]2C[C@@H](OC(C)=O)[C@@H]3[C@](C2)(C(=O)OC[C@]32CCCC(C)(C)[C@H]2C=O)[C@@H]1O ZINC000169658539 GE Annotated Mild COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]41)CC[C@H]1CN4C[C@H](C)[C@](O)(CC[C@]12CO)[C@@H]43 ZINC000169670541 GE Annotated Anodyne C/C(=N\OCCO)c1ccc2nnc([C@@H](C)c3cc4cnn(C)c4cc3C)n2n1 ZINC000169684857 GE Annotated Mild Cn1c2ccccc2n2c(c3cccn31)=C(O)N(CCN1CCCCC1)CC2=O ZINC000169684866 GE Annotated Bother NS(=O)(=O)c1ccc(/N=C/[C@@H]2C(=O)Nc3ccc(-c4cnco4)cc32)cc1 ZINC000169685127 GE Annotated Mild NS(=O)(=O)c1ccc(/N=C/[C@H]2C(=O)Nc3ccc(-c4cnco4)cc32)cc1 ZINC000169685128 GE Annotated Mild Cc1onc([C@@H]2CCCCN2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 ZINC000169685414 GE Annotated Anodyne Cc1onc([C@H]2CCCCN2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 ZINC000169685415 GE Annotated Anodyne O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000169686887 GE Annotated Clean Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000169687194 GE Annotated Clean Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000169687195 GE Annotated Clean Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000169687196 GE Annotated Clean Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000169687197 GE Annotated Clean COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1 ZINC000169687290 GE Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1 ZINC000169687293 GE Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1 ZINC000169687294 GE Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1 ZINC000169687295 GE Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1 ZINC000169687296 GE Annotated Anodyne COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1cc(OC)ccc1OC ZINC000169687591 GE Annotated Anodyne COCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1cc(OC)ccc1OC ZINC000169687592 GE Annotated Anodyne COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1cc(OC)ccc1OC ZINC000169687593 GE Annotated Anodyne COCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1cc(OC)ccc1OC ZINC000169687594 GE Annotated Anodyne COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000169687621 GE Annotated Anodyne COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000169687622 GE Annotated Anodyne COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000169687623 GE Annotated Anodyne COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000169687624 GE Annotated Anodyne CCc1[nH]nc2c1[C@@H](c1cccc(OC(=O)N3CCOCC3)c1)[C@@H](C#N)C(=N)O2 ZINC000169687655 GE Annotated Mild CCc1[nH]nc2c1[C@H](c1cccc(OC(=O)N3CCOCC3)c1)[C@@H](C#N)C(=N)O2 ZINC000169687656 GE Annotated Mild O=C(NCc1ccco1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000169687768 GE Annotated Anodyne COC(=O)c1ccccc1[C@@H]1c2ccc(O)c(O)c2O[C@@H]2C(=O)C(=O)C=C[C@@H]21 ZINC000169687804 GE Annotated Mild COC(=O)c1ccccc1[C@H]1c2ccc(O)c(O)c2O[C@@H]2C(=O)C(=O)C=C[C@@H]21 ZINC000169687805 GE Annotated Mild COC(=O)c1ccccc1[C@@H]1c2ccc(O)c(O)c2O[C@H]2C(=O)C(=O)C=C[C@@H]21 ZINC000169687806 GE Annotated Mild COC(=O)c1ccccc1[C@H]1c2ccc(O)c(O)c2O[C@H]2C(=O)C(=O)C=C[C@H]12 ZINC000169687807 GE Annotated Mild C=CCn1c(=S)[nH]c(=O)[c-](/C=C2\C=CC=[N+]2c2cccc([N+](=O)[O-])c2)c1=O ZINC000169687821 GE Annotated Mild COc1ccc(Cc2nnc(/N=N/Cc3ccc(O)cc3O)[nH]c2=O)cc1OC ZINC000169688067 GE Annotated Clean C/C(=N\CCN1CCCCC1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000169688832 GE Annotated Mild O=C(N/N=C/[c-]1cc([N+](=O)[O-])ccc1=O)C(O)(c1ccccc1)c1ccccc1 ZINC000169689047 GE Annotated Reactive CC(=O)N1C(=O)[C@@]2(c3ccccc31)c1c(-c3ccccn3)n[nH]c1OC(=N)[C@@H]2C#N ZINC000169689290 GE Annotated Mild CC(=O)N1C(=O)[C@]2(c3ccccc31)c1c(-c3ccccn3)n[nH]c1OC(=N)[C@@H]2C#N ZINC000169689291 GE Annotated Mild COCCn1c(/N=N/C(C)=C/Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000169689665 GE Annotated Clean CC(C)(C)c1nnc(/N=N/Cc2cc(Br)ccc2O)n(N)c1=O ZINC000169690183 GE Annotated Clean CCOC(=O)Cc1n[nH]c2c1[C@@H](c1cccc(OC)c1OC)[C@@H](C#N)C(=N)O2 ZINC000169690879 GE Annotated Mild CCOC(=O)Cc1n[nH]c2c1[C@H](c1cccc(OC)c1OC)[C@@H](C#N)C(=N)O2 ZINC000169690880 GE Annotated Mild CCOC(=O)Cc1n[nH]c2c1[C@@H](c1cc(OC)ccc1OC)[C@@H](C#N)C(=N)O2 ZINC000169690940 GE Annotated Mild CCOC(=O)Cc1n[nH]c2c1[C@H](c1cc(OC)ccc1OC)[C@@H](C#N)C(=N)O2 ZINC000169690942 GE Annotated Mild Cc1[nH]nc2c1[C@@H](c1cccc(OC(=O)N3CCOCC3)c1)[C@@H](C#N)C(=N)O2 ZINC000169690977 GE Annotated Mild Cc1[nH]nc2c1[C@H](c1cccc(OC(=O)N3CCOCC3)c1)[C@@H](C#N)C(=N)O2 ZINC000169690978 GE Annotated Mild COc1cc([C@@H]2[C@H]3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)cc2c1OCO2 ZINC000169691471 GE Annotated Reactive CCOC(=O)[C@@H]1C(COC(=O)c2ccc3ccccc3c2O)=NC(=O)N[C@@H]1C ZINC000169691902 GE Annotated Anodyne CCOC(=O)[C@H]1C(COC(=O)c2ccc3ccccc3c2O)=NC(=O)N[C@@H]1C ZINC000169691903 GE Annotated Anodyne CCOC(=O)[C@@H]1C(COC(=O)c2ccc3ccccc3c2O)=NC(=O)N[C@H]1C ZINC000169691904 GE Annotated Anodyne CCOC(=O)[C@H]1C(COC(=O)c2ccc3ccccc3c2O)=NC(=O)N[C@H]1C ZINC000169691905 GE Annotated Anodyne Cc1c(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000169693286 GE Annotated Anodyne Cc1c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@@H]32)c(=O)n(-c2ccccc2)n1C ZINC000169693287 GE Annotated Anodyne Cc1c(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000169693288 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1 ZINC000169693330 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@@H]32)cc1 ZINC000169693331 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1 ZINC000169693332 GE Annotated Anodyne CC(C)C[C@H]1NC(=O)[C@@H](S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000169693711 GE Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@H](S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000169693712 GE Annotated Anodyne CC(C)C[C@H]1NC(=O)[C@H](S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000169693713 GE Annotated Anodyne COc1cc([N+](=O)[O-])c[c-](/C=N/NC(=O)c2cc(C)nc3ccccc23)c1=O ZINC000169693966 GE Annotated Reactive OC[C@@H]1C[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1 ZINC000169694748 GE Annotated Anodyne CNc1cc(C(=O)O)nc2c(-c3cc(F)ccc3O)nc(N3CCOCC3)nc12 ZINC000169698805 GE Annotated Anodyne CNc1cc(C(=O)O)nc2c(-c3cccc(F)c3O)nc(N3CCOCC3)nc12 ZINC000169698810 GE Annotated Anodyne CNc1cc(C(=O)O)nc2c(-c3ccc(F)cc3O)nc(N3CCOCC3)nc12 ZINC000169698820 GE Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CN(Cc2cn[nH]c2)[C@@H]1c1cc(F)ccc1F ZINC000169701999 GE Annotated Anodyne O=C(c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC(O)C1 ZINC000169704139 GE Annotated Anodyne COCCOc1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(N)=O)c3n2)c1 ZINC000169704175 GE Annotated Anodyne COC1CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)C1 ZINC000169704191 GE Annotated Anodyne Nc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CCC3)c2n1 ZINC000169704287 GE Annotated Anodyne CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12 ZINC000169704289 GE Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)N(C)CCO)c2)cc1 ZINC000169706287 GE Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)N(C)CCO)c2)cc1 ZINC000169706288 GE Annotated Mild O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(CO)c3)n(-c3ccccc3)n2)CN1 ZINC000169707059 GE Annotated Anodyne Cc1onc(-c2ccc(Cl)cn2)c1CO[C@@H](O)Cc1ccc(C(N)=O)cn1 ZINC000169707493 GE Annotated Anodyne Cc1onc(-c2ccc(Cl)cn2)c1CO[C@H](O)Cc1ccc(C(N)=O)cn1 ZINC000169707494 GE Annotated Anodyne CC(C)(c1ccc(C(N)=O)cn1)[C@@H](O)OCc1conc1-c1ccc(F)cn1 ZINC000169707495 GE Annotated Anodyne CC(C)(c1ccc(C(N)=O)cn1)[C@H](O)OCc1conc1-c1ccc(F)cn1 ZINC000169707496 GE Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cccn3)c2)c2cncnc21 ZINC000169707680 GE Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccnc3)c2)c2cncnc21 ZINC000169707913 GE Annotated Anodyne Cc1nn(-c2ccnc(Nc3ccc4c(ccn4C)c3)n2)cc1CN1CC(O)C1 ZINC000169709030 GE Annotated Anodyne O=C(O)CCCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710918 GE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12 ZINC000169711646 GE Annotated Anodyne Cc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711672 GE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nn(C)c(C5CC5)c4C3)ncnn12 ZINC000169711675 GE Annotated Anodyne Cc1nc([C@H]2CCOC2)c2c(N3CCn4ncc(C(F)(F)F)c4C3)ncnn12 ZINC000169711682 GE Annotated Anodyne Cc1nc([C@H]2CCOC2)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12 ZINC000169711688 GE Annotated Anodyne Cc1nc([C@H]2CCOC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12 ZINC000169711715 GE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12 ZINC000169711716 GE Annotated Anodyne CCc1c2c(nn1C)CCN(c1ncnn3c(C)nc(C4CCOCC4)c13)C2 ZINC000169711739 GE Annotated Anodyne CCc1nn(C)c2c1CN(c1ncnn3c(C)nc(C4CCOCC4)c13)CC2 ZINC000169711740 GE Annotated Anodyne CCc1nc(C)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711764 GE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(CC(C)C)c4C3)ncnn12 ZINC000169711798 GE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(CC5CCC5)c4C3)ncnn12 ZINC000169711802 GE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4c(c(C5CC5)nn4C)C3)ncnn12 ZINC000169711814 GE Annotated Anodyne N#Cc1cc(CO)c(Cl)c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1 ZINC000169711962 GE Annotated Mild COc1ccc(CCNc2nc(-c3ncncc3F)cc(=O)n2C)cc1OC ZINC000169711974 GE Annotated Anodyne COc1ccc(C[C@@H](N=O)C(=O)NCCc2cnc[nH]2)cc1Br ZINC000169715797 GE Annotated Anodyne COc1ccc(C[C@H](N=O)C(=O)NCCc2cnc[nH]2)cc1Br ZINC000169715798 GE Annotated Anodyne Cc1c(/N=C/CCN2CCN(CCCN)CC2)c(O)c2c(O)cccc2c1O ZINC000169716752 GE Annotated Mild O=c1nc2cccc[c-]2n1C1=CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000169717094 GE Annotated Bother CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1c1c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)n12 ZINC000169718523 GE Annotated Bother O=C(c1ccccc1)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)n12 ZINC000169718533 GE Annotated Bother Cc1cc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3[C@H](O)[C@@H]2O)ccc1Br ZINC000169718542 GE Annotated Anodyne Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3[C@@H](O)[C@H]2O)ccc1Br ZINC000169718543 GE Annotated Anodyne Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3[C@H](O)[C@@H]2O)ccc1Br ZINC000169718544 GE Annotated Anodyne Cc1cc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3[C@H](O)[C@@H]2O)ccc1Br ZINC000169718545 GE Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC ZINC000169719349 GE Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC ZINC000169719350 GE Annotated Anodyne N=C1CCC(Cl)=C(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)N1O ZINC000169721821 GE Annotated Anodyne O=C1C=C[C@]2(C=C1Br)CCN=C1C(=O)c3[nH]cc4c3C(=NCC4)[C@@H]12 ZINC000169723183 GE Annotated Mild O=C1C=C[C@]2(C=C1Br)CCN=C1C(=O)c3[nH]cc4c3C(=NCC4)[C@H]12 ZINC000169723184 GE Annotated Mild Cc1cc(-c2nc3c4n(c(=O)n(Cc5ccccc5)c-3n2)C[C@@H](C)N4)nn1C ZINC000169724908 GE Annotated Anodyne Cc1cc(-c2nc3c4n(c(=O)n(Cc5ccccc5)c-3n2)C[C@H](C)N4)nn1C ZINC000169724909 GE Annotated Anodyne O=C(NCc1ccco1)N1CCn2c(c(O)n([C@H]3C[C@@H]3c3ccccc3)c2=O)C1 ZINC000169724973 GE Annotated Anodyne C=c1[nH]n(-c2ccccc2)c(=O)/c1=C1\C=C(C)N(c2ccc(OC)cc2)C(=O)O1 ZINC000169727391 GE Annotated Anodyne COc1cc(-c2cn([C@@H]3C(=O)N[C@@H]4CC[C@@H]3C4)nn2)ccc1-n1cnc(C)c1 ZINC000169727673 GE Annotated Anodyne COc1cc(-c2cn([C@H]3C(=O)N[C@@H]4CC[C@@H]3C4)nn2)ccc1-n1cnc(C)c1 ZINC000169727674 GE Annotated Anodyne C[C@@H]1NN=C(c2ccc(S(=O)(=O)Nc3sc(S)nc3O)cc2)S1 ZINC000169728817 GE Annotated Anodyne C[C@H]1NN=C(c2ccc(S(=O)(=O)Nc3sc(S)nc3O)cc2)S1 ZINC000169728818 GE Annotated Anodyne COc1ccc([C@@H]2NC(=S)Nc3c2c(=O)nc2sc([N+](=O)[O-])cn32)cc1 ZINC000169729542 GE Annotated Bother COc1ccc([C@H]2NC(=S)Nc3c2c(=O)nc2sc([N+](=O)[O-])cn32)cc1 ZINC000169729543 GE Annotated Bother COC(=O)C1(n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)CCCC1 ZINC000169729807 GE Annotated Anodyne CC(C)OCCOc1nc(Oc2ccc3c(c2)COB3O)c(Cl)cc1C#N ZINC000169938767 GE Annotated Mild CC(=O)CCCOc1nc(Oc2ccc3c(c2)COB3O)c(Cl)cc1C#N ZINC000169938771 GE Annotated Mild N#Cc1cc(Cl)c(Oc2ccc3c(c2)COB3O)nc1OCCOC1CC1 ZINC000169938783 GE Annotated Mild CC(=O)CCCOc1nc(Oc2ccc3c(c2)COB3O)c(C#N)cc1Cl ZINC000169938811 GE Annotated Mild C[C@@H]1C[C@@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@@]1(CCOC1=O)O2 ZINC000017039969 GE Annotated Anodyne C[C@H]1C[C@@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@@]1(CCOC1=O)O2 ZINC000017039971 GE Annotated Anodyne C[C@@H]1C[C@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@@]1(CCOC1=O)O2 ZINC000017039973 GE Annotated Anodyne C[C@H]1C[C@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@@]1(CCOC1=O)O2 ZINC000017039975 GE Annotated Anodyne C[C@@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000017189989 GE Annotated Anodyne C[C@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000017189993 GE Annotated Anodyne C[C@@H]1C[C@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000017189996 GE Annotated Anodyne C[C@H]1C[C@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000017190000 GE Annotated Anodyne N#C[C@@]1([C@H]2SCC[S@@]2=O)C2=C(C(=O)c3ccccc3C2=O)N2CCC[C@H]21 ZINC000017194087 GE Annotated Mild N#C[C@@]1([C@H]2SCC[S@]2=O)C2=C(C(=O)c3ccccc3C2=O)N2CCC[C@H]21 ZINC000017194089 GE Annotated Mild N#C[C@@]1([C@@H]2SCC[S@@]2=O)C2=C(C(=O)c3ccccc3C2=O)N2CCC[C@H]21 ZINC000017194091 GE Annotated Mild COC(=O)[C@@]12C(=O)CCC(=O)[C@H]1[C@@H]1C(=C[C@H]2C)O[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000017197950 GE Annotated Anodyne CC(=O)NNc1nc(C)c(C(/C=C/c2ccc(Cl)cc2)=N\NC(=N)N)s1 ZINC000017211335 GE Annotated Reactive C/C(CN1C(=O)c2ccccc2C1=O)=N\NS(=O)(=O)c1ccc(Cl)cc1 ZINC000017212461 GE Annotated Mild CO[C@@H]1O[C@@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@H]21 ZINC000017220514 GE Annotated Anodyne CO[C@H]1O[C@@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000017220516 GE Annotated Anodyne CO[C@@H]1O[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@H]21 ZINC000017220519 GE Annotated Anodyne CO[C@H]1O[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000017220522 GE Annotated Anodyne CC(=O)C[C@@H]1CCC(=O)CCC(=O)O[C@@H](CC(C)=O)CCC(=O)CCC(=O)O1 ZINC000017221695 GE Annotated Anodyne CO[C@@]12COC(=O)[C@@H]1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3 ZINC000017249949 GE Annotated Anodyne CO[C@]12COC(=O)[C@@H]1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3 ZINC000017249954 GE Annotated Anodyne CO[C@@]12COC(=O)[C@H]1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3 ZINC000017249958 GE Annotated Anodyne CO[C@]12COC(=O)[C@H]1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3 ZINC000017249961 GE Annotated Anodyne COC(=O)CCC(=O)NC1=C(NCc2ccccc2)C(=O)c2ccccc2C1=O ZINC000017255050 GE Annotated Mild CO[C@@H]1C[C@@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 ZINC000017257712 GE Annotated Anodyne CO[C@H]1C[C@@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 ZINC000017257716 GE Annotated Anodyne CO[C@@H]1C[C@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 ZINC000017257719 GE Annotated Anodyne CO[C@H]1C[C@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 ZINC000017257723 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C[C@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000017328073 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C[C@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000017328074 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1C ZINC000017888503 GE Annotated Anodyne CN1C(=O)[C@@H](/C(N)=N\NC(=O)c2ccccc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 ZINC000017967687 GE Annotated Reactive O=C1N=c2ccccc2=C1/C=C1\Nc2ccccc2C(=O)N1c1ccc(O)cc1 ZINC000018096109 GE Annotated Anodyne Cc1[nH]c(=O)nc2nc3cc(Cl)cc(Cl)c3c(NC(C)(CO)CO)c12 ZINC000018179715 GE Annotated Bother CC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000018189119 GE Annotated Anodyne CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)[C@H]1O ZINC000019111699 GE Annotated Anodyne Cc1ncc2c(c1-c1noc(CN3CCOc4ccccc4C3)n1)CCNC2 ZINC000019112373 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000019210534 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000019210538 GE Annotated Anodyne O=C1NCCN1c1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1 ZINC000019226850 GE Annotated Anodyne O=C1NCCN1c1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000019226853 GE Annotated Anodyne O[C@H]1[C@H](N2CCOCC2)c2ccccc2C12CCN(Cc1ccccn1)CC2 ZINC000019228569 GE Annotated Anodyne CS(=O)(=O)c1ncc(CN2CCc3sccc3C2)n1C[C@@H]1CCCO1 ZINC000019228643 GE Annotated Anodyne CS(=O)(=O)c1ncc(CN2CCc3sccc3C2)n1C[C@H]1CCCO1 ZINC000019228644 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019234578 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019237014 GE Annotated Anodyne CC(C)=CCN1CCN(Cc2ccc(Sc3nncn3C)o2)C[C@@H]1CCO ZINC000019299894 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019460561 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019460623 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019460647 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccccc2OC)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019460663 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000019460695 GE Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000019460703 GE Annotated Anodyne CO[C@@H](C)[C@H]1[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000194828278 GE Annotated Anodyne CO[C@@H](C)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000194828299 GE Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019529632 GE Annotated Anodyne COCCn1nnnc1[C@H](c1ccc(O)c(OC)c1)N1CCc2ccccc2C1 ZINC000019593920 GE Annotated Anodyne COCCn1nnnc1[C@@H](c1ccc(O)c(OC)c1)N1CCc2ccccc2C1 ZINC000019593921 GE Annotated Anodyne Cc1ocnc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O ZINC000019595477 GE Annotated Anodyne O[C@H]1[C@H](N2CCSCC2)c2ccccc2C12CCN(c1ncccn1)CC2 ZINC000019742219 GE Annotated Anodyne O[C@H]1[C@H](N2CCSCC2)c2ccccc2C12CCN(c1cnccn1)CC2 ZINC000019743064 GE Annotated Anodyne Cc1ccccc1-n1cc(-c2ccnc(N3CCN(C)[C@@H](CCO)C3)n2)cn1 ZINC000019745559 GE Annotated Anodyne CNc1ncccc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O ZINC000019772172 GE Annotated Anodyne COCCN(C)Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F ZINC000019794806 GE Annotated Anodyne CNC(=O)[C@@H]1C[C@@H](NC2CCN(C)CC2)CN1Cc1cccc2ccccc12 ZINC000019838742 GE Annotated Anodyne Cc1ncc2c(c1-c1noc([C@@H]3COCCO3)n1)CCN(C(=O)NC(C)C)C2 ZINC000019865556 GE Annotated Anodyne Cc1ncc2c(c1-c1noc([C@H]3COCCO3)n1)CCN(C(=O)NC(C)C)C2 ZINC000019865559 GE Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)c3ccccc3B2O)cc1 ZINC000195058250 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@H](C=C[C@@]12CO)[C@@]43O ZINC000195069438 GE Annotated Anodyne N#CC1=C(N)[C@@H]2[C@@H](C=C1N)Oc1ccc(Br)cc1[C@H]2C(C#N)C#N ZINC000195080083 GE Annotated Reactive Cc1ccc(S(=O)(=O)N2C=Cc3cc(Br)sc3B2O)cc1 ZINC000195132382 GE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000195132707 GE Annotated Bother Cc1ccc(S(=O)(=O)N2N=Cc3cc4c(cc3B2O)-c2ccccc2C4)cc1 ZINC000195138059 GE Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1F ZINC000195243506 GE Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1F ZINC000195243515 GE Annotated Anodyne Cc1c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c(=O)n(-c2ccccc2)n1C ZINC000195281722 GE Annotated Anodyne O=C1[C@H]2C=C(I)[C@H](C[C@H]2OCCCCCCO)[C@]12CO2 ZINC000195363718 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1 ZINC000195375856 GE 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)Nc1ccc(Cl)cc1O ZINC000195378633 GE Annotated Anodyne COc1ccc(OC)c(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 ZINC000195394740 GE Annotated Anodyne COc1ccc(OC)c(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000195394748 GE Annotated Anodyne COc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000195400465 GE Annotated Anodyne COc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000195400473 GE Annotated Anodyne O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)c1cccc(Br)c1 ZINC000195400573 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)O)cc1 ZINC000195401025 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 ZINC000195401029 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@H]43 ZINC000195409925 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@H]43 ZINC000195409931 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@H]43 ZINC000195409939 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@H]43 ZINC000195409948 GE Annotated Anodyne CC(=O)c1ccccc1OC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 ZINC000195418634 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C[C@H]5CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000195443160 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C[C@H]5CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000195443168 GE Annotated Anodyne CCN1C(NCCCCO)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000195454264 GE Annotated Anodyne CCN1C(NCCCCO)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@H]1C ZINC000195454273 GE Annotated Anodyne CC1(C)O[C@@H]2O[C@@H]3CO[P@@](=O)(N(CCCl)CCCl)O[C@@H]3[C@@H]2O1 ZINC000195462527 GE Annotated Reactive CC1(C)O[C@@H]2O[C@H]3CO[P@@](=O)(N(CCCl)CCCl)O[C@@H]3[C@@H]2O1 ZINC000195462533 GE Annotated Reactive O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000195501307 GE Annotated Anodyne CCS[C@@]12O[C@@]3(CCCCCN3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000195503582 GE Annotated Anodyne CCS[C@]12O[C@]3(CCCCCN3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000195503585 GE Annotated Anodyne N#C[C@]1([C@@H]2SCC[S@]2=O)C2=C(C(=O)c3ccccc3C2=O)N2CCC[C@H]21 ZINC000195761871 GE Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C(=O)OC)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000195766246 GE Annotated Anodyne biogenic CN(C)CCNC(=O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3ccc[nH]3)C=CC1=C2 ZINC000196857624 GE Annotated Anodyne in-vitro C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CC[N+]4(CCl)CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 ZINC000197879615 GE Annotated Reactive C=C1CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@@H]([C@H](O)[C@](C)(O)[C@@H](O)CC[C@@]3(C)OC(C)=O)[C@@H]12 ZINC000197880047 GE Annotated Mild COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CC=C[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000197880235 GE Annotated Anodyne C/C=C1\[C@@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000197883923 GE Annotated Anodyne COc1cccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)c1 ZINC000198345029 GE Annotated Anodyne COc1cccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)c1 ZINC000198345041 GE Annotated Anodyne COc1cccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)c1 ZINC000198347794 GE Annotated Anodyne COc1cccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)c1 ZINC000198347803 GE Annotated Anodyne CC[C@@H](C)C1=C2N=C3OC=CC=C[C@]3(O)C(=O)N2[C@@H](Cc2ccccc2)C(=O)N1 ZINC000198361041 GE Annotated Anodyne CO[C@]12C=CC=COC1=NC1=C(C(C)C)NC(=O)[C@H](Cc3ccccc3)N1C2=O ZINC000198361768 GE Annotated Anodyne [C-]#[N+][C@@]12C(=O)[C@@H]3[C@@H](O[C@@]4(C(=O)N(C)c5cccc1c54)C3(C)C)C(=O)[C@@]2(C)C=C ZINC000198867223 GE Annotated Reactive CC(=O)N[C@@H]1CN(C(C)=O)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 ZINC000198877830 GE Annotated Anodyne CC(=O)N[C@@H]1CN(C(C)=O)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 ZINC000198880107 GE Annotated Anodyne Cc1cccc(C)c1N1NN=N/C1=C1/N=c2cc(Br)ccc2=NC1=O ZINC000199202696 GE Annotated Anodyne COCCN1C(=O)COc2ccccc2[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199206605 GE Annotated Anodyne COCCN1C(=O)COc2ccccc2[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199206620 GE Annotated Anodyne CCCCn1nnnc1[C@]1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000199214436 GE Annotated Anodyne CCCCn1nnnc1[C@@]1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000199214452 GE Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1CCCn1ccnc1 ZINC000199214848 GE Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1CCCn1ccnc1 ZINC000199214859 GE Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000199216441 GE Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000199216457 GE Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccco2)C1=O ZINC000199218371 GE Annotated Mild O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1C1CC1 ZINC000199224944 GE Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1C1CC1 ZINC000199224956 GE Annotated Anodyne C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CSCC(=O)N1CC(F)(F)F ZINC000199231308 GE Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CSCC(=O)N1CC(F)(F)F ZINC000199231329 GE Annotated Anodyne CCCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)c1ccccc1 ZINC000199243236 GE Annotated Anodyne CCCCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)c1ccccc1 ZINC000199243255 GE Annotated Anodyne O=C(NC1CCCCC1)N1Cc2cc(N3CCOCC3)ccc2-n2nncc2C1 ZINC000199388416 GE Annotated Clean COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)cc1 ZINC000199665060 GE Annotated Anodyne COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)cc1 ZINC000199665078 GE Annotated Anodyne CO[C@H]1[C@@H]2[C@@](C)([C@H](O)CC=C(C)C)N(c3ccccc3)C[C@@]2(O)CC[C@H]1O ZINC000199723552 GE Annotated Anodyne CN(C)CCCN1CC(=O)N2CCc3ccc(Br)cc3[C@@H]2CC1=O ZINC000199736391 GE Annotated Anodyne CN(C)CCCN1CC(=O)N2CCc3ccc(Br)cc3[C@H]2CC1=O ZINC000199736415 GE Annotated Anodyne CCOC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199737262 GE Annotated Anodyne Cc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C(=O)c1cc(O)cc(O)c1C2=O ZINC000199842657 GE Annotated Clean O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H]1OC[C@H](O)CO ZINC000002002540 GE Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@@H]1OC[C@H](O)CO ZINC000002002541 GE Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H]1OC[C@@H](O)CO ZINC000002002542 GE Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@@H]1OC[C@@H](O)CO ZINC000002002543 GE Annotated Anodyne COc1ccc2c(c1OC)[C@@H](N1CCc3cc4c(cc3C1=O)OCO4)OC2=O ZINC000002028657 GE Annotated Anodyne Cc1ccccc1CC(=O)Nc1cc(C)c(S(=O)(=O)NCC(=O)O)c(C)c1 ZINC000002046816 GE Annotated Anodyne in-vivo CC(C)[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000002067953 GE Annotated Anodyne CC(C)OC(=O)[C@H]1[C@H](c2cccc(O)c2)[C@@H](C(=O)OC(C)C)C(=O)C[C@@]1(C)O ZINC000002121510 GE Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC ZINC000002290626 GE Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC ZINC000002290627 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Br)c1 ZINC000002302524 GE Annotated Anodyne CCCc1nc2sc3c(c2c(=O)n1NC(=O)CCC(=O)OC)CCCC3 ZINC000002311595 GE Annotated Anodyne O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccc(Br)cc1 ZINC000002344675 GE Annotated Anodyne CN1C(=O)/C(=c2/sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21 ZINC000002356403 GE Annotated Anodyne C[C@@H](c1ccc(Br)cc1)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O ZINC000002428646 GE Annotated Anodyne C[C@H](c1ccc(Br)cc1)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)O)[C@@H]3C1=O ZINC000002428647 GE Annotated Anodyne COc1ccc(OC)c(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 ZINC000002455645 GE Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@H]1CCCCN1C2=O ZINC000002456115 GE Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456160 GE Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456161 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456187 GE Annotated Anodyne CN1CCN(c2cc(NCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1 ZINC000002457329 GE Annotated Clean CC(=O)[C@H]1[C@H](c2cccc(Br)c2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000002458386 GE Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000002458810 GE Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC(C)C)c21 ZINC000002459207 GE Annotated Anodyne CCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000002459289 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCOCC3)c(C)c2c1 ZINC000002459847 GE Annotated Anodyne aggregator CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002464829 GE Annotated Anodyne CN1C(C(=O)c2ccccc2)=C(N2CCOCC2)c2ccccc2S1(=O)=O ZINC000002470890 GE Annotated Mild CCCCNC(=O)c1sc2ncn(CC(=O)N(CC)CC)c(=O)c2c1C ZINC000002477364 GE Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCO)c(OC)c1OC ZINC000002483809 GE Annotated Anodyne COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000002483846 GE Annotated Bother COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOCCO)c(OC)c1 ZINC000002485771 GE Annotated Anodyne O=C(NCc1cccs1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000002496450 GE Annotated Anodyne C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1 ZINC000002498461 GE Annotated Anodyne C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1 ZINC000002498464 GE Annotated Anodyne COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000020068824 GE Annotated Anodyne COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000020068827 GE Annotated Anodyne COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1 ZINC000020068830 GE Annotated Anodyne COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1 ZINC000020068831 GE Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@@H]1CCCCN1C2=O ZINC000020105097 GE Annotated Anodyne Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000020112522 GE Annotated Anodyne Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000020112525 GE Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCOCC2)[C@@H]1c1cccs1 ZINC000020115969 GE Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCN2CCOCC2)[C@H]1c1cccs1 ZINC000020115971 GE Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1cccs1 ZINC000020115973 GE Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1cccs1 ZINC000020115975 GE Annotated Anodyne C=CCN1CCN([C@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1 ZINC000020141642 GE Annotated Mild C=CCN1CCN([C@@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1 ZINC000020141645 GE Annotated Mild CC[C@H](c1nnnn1Cc1cccs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000020141755 GE Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000020141758 GE Annotated Anodyne Cn1ccnc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCCOCC2)s1 ZINC000020149081 GE Annotated Anodyne Cn1ccnc1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CCCOCC2)s1 ZINC000020149082 GE Annotated Anodyne CCN1CCN(C(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)CC1 ZINC000020234304 GE Annotated Anodyne CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cn4ccccc4n3)CC2)[C@H]1O ZINC000020271201 GE Annotated Anodyne CCS(=O)(=O)c1ncc(CN(C)CCc2cn[nH]c2)n1Cc1ccccc1 ZINC000020271696 GE Annotated Anodyne Cn1c(=O)cc(OCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21 ZINC000020280224 GE Annotated Anodyne COc1ncccc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O ZINC000020363611 GE Annotated Anodyne O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(C2CCCCC2)CC1 ZINC000020415884 GE Annotated Anodyne CC(C)NC(=O)C1CCN(C2CCN([C@@H](C)CCn3cccn3)CC2)CC1 ZINC000020451211 GE Annotated Anodyne CC(C)NC(=O)C1CCN(C2CCN([C@H](C)CCn3cccn3)CC2)CC1 ZINC000020451213 GE Annotated Anodyne CCOC(=O)N1CCN(C2=NS(=O)(=O)C(c3ccc(C)cc3)=C2C)CC1 ZINC000020465317 GE Annotated Anodyne Cc1ccc(C(=O)NCC(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC000201451837 GE Annotated Anodyne Cc1nc2ccc(S(=O)(=O)NCC(=O)NCc3cccs3)cc2s1 ZINC000201451990 GE Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000201452575 GE Annotated Anodyne O=C(NCc1cccs1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000201453048 GE Annotated Anodyne CCOc1ccccc1NC(=O)NNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000201455443 GE Annotated Reactive C[C@H]1COC[C@@H](C)N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000201469259 GE Annotated Anodyne C[C@H]1COC[C@H](C)N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000201469294 GE Annotated Anodyne C[C@@H]1COC[C@@H](C)N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000201469323 GE Annotated Anodyne C=CCNC(=O)CN(C(=O)c1ccncn1)c1cccc(Br)c1 ZINC000201490202 GE Annotated Mild N#Cc1ccc(-c2cccc(S(=O)(=O)N3CC[C@H](N4CCCC4)C3)n2)cc1 ZINC000201798491 GE Annotated Mild N#Cc1ccc(-c2cccc(S(=O)(=O)N3CC[C@@H](N4CCCC4)C3)n2)cc1 ZINC000201798523 GE Annotated Mild O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(N2CCOCC2)CC1 ZINC000201803005 GE Annotated Anodyne CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@H]3[C@@H](C)C4=CC(=O)OC4=C[C@@H]3[C@@]12C ZINC000203393708 GE Annotated Anodyne CCCCNC(=O)C[C@H]1C(=O)N(CCCOC)C2=CCCCC[C@]21C(=O)OC ZINC000203464249 GE Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)N2CCCC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464330 GE Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)N2CCSCC2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466538 GE Annotated Mild CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)N1CCCC1 ZINC000203466731 GE Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCSCC1 ZINC000203468999 GE Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000203472378 GE Annotated Anodyne CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)NCCCOC)C2 ZINC000203472462 GE Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCSCC1 ZINC000203472620 GE Annotated Anodyne CC[C@H](CO)NCc1ccnc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000204415669 GE Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N(C)C)c2)ccc1F ZINC000204419895 GE Annotated Anodyne CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 ZINC000020511485 GE Annotated Anodyne CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccc(F)cc1 ZINC000020531892 GE Annotated Anodyne Nc1nccc(N2CCC3(CC2)c2ccccc2[C@@H](N2CCSCC2)[C@@H]3O)n1 ZINC000020536901 GE Annotated Anodyne O=C1NCCN1CCNc1nccc(-c2cnn(-c3ccccc3Cl)c2)n1 ZINC000020537078 GE Annotated Anodyne O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CCSCC3)nc2)CC1 ZINC000020538568 GE Annotated Anodyne COCCn1c(CN(C)[C@@H]2CCOC2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000020540439 GE Annotated Anodyne COCCn1c(CN(C)[C@H]2CCOC2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000020540442 GE Annotated Anodyne Cc1ccc(CCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1 ZINC000020574735 GE Annotated Anodyne Cc1ccsc1CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020574776 GE Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1 ZINC000020580929 GE Annotated Anodyne CCOC(=O)C[C@@H]1CCCCN1Cc1cnc(S(C)(=O)=O)n1CC(C)C ZINC000020601047 GE Annotated Anodyne CCOC(=O)C[C@H]1CCCCN1Cc1cnc(S(C)(=O)=O)n1CC(C)C ZINC000020601048 GE Annotated Anodyne CC(C)N(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccnnc3)CC2)[C@H]1O ZINC000020601125 GE Annotated Anodyne O[C@H]1[C@H](n2ccnc2)c2ccccc2C12CCN(CCCn1cccn1)CC2 ZINC000020638575 GE Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1c[nH]c2ccccc12 ZINC000020762531 GE Annotated Anodyne COc1ccc(CN2CCN(CC=C(C)C)[C@@H](CCO)C2)cc1Cn1cncn1 ZINC000020782875 GE Annotated Anodyne COc1ccc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)cc1C(F)(F)F ZINC000020782987 GE Annotated Anodyne Oc1ccccc1N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 ZINC000020785743 GE Annotated Anodyne CCOCCCNC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000020847719 GE Annotated Anodyne Cc1cc(C)n(CCNC2CCN(c3cccc(N4CCNC4=O)c3)CC2)n1 ZINC000020856860 GE Annotated Anodyne Cc1ncc2c(c1-c1noc(CC3CC3)n1)CCN(C(=O)c1ccnn1C)C2 ZINC000020858960 GE Annotated Anodyne CCC[C@@H](C)c1nnc(NC(=O)N2CCN(Cc3noc(C)n3)CC2)s1 ZINC000020862069 GE Annotated Anodyne CCC[C@H](C)c1nnc(NC(=O)N2CCN(Cc3noc(C)n3)CC2)s1 ZINC000020862074 GE Annotated Anodyne Cc1nc(C)c2c(n1)O[C@H](Cn1ncc(N3CCc4ccccc4C3)cc1=O)C2 ZINC000020869069 GE Annotated Anodyne Cc1nc(C)c2c(n1)O[C@@H](Cn1ncc(N3CCc4ccccc4C3)cc1=O)C2 ZINC000020869073 GE Annotated Anodyne CC(=O)NCCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1 ZINC000020912209 GE Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3ccnnc3)n1)CCN(C(=O)NC(C)C)C2 ZINC000020995553 GE Annotated Anodyne N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)nc2)n1 ZINC000205018263 GE Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)nc2)n1 ZINC000205018294 GE Annotated Mild CC1(c2ccc(Nc3nn([C@H]4CC[C@H](O)C[C@@H]4C#N)cc3C(N)=O)cc2)COC1 ZINC000205018401 GE Annotated Mild CC1(c2ccc(Nc3nn([C@H]4CC[C@@H](O)C[C@@H]4C#N)cc3C(N)=O)cc2)COC1 ZINC000205018429 GE Annotated Mild C=C(C)C(=O)OC/C1=C\CC/C(COC(C)=O)=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C1 ZINC000205079451 GE Annotated Mild CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncncc34)nnc21 ZINC000205097474 GE Annotated Anodyne COC1=C/C(=c2/cnc3n2NC(c2cccc(C(F)(F)F)c2)=CC=3)C=CC1=O ZINC000205206574 GE Annotated Mild C[C@H](C(=O)NCc1nccs1)N1Cc2ccc(-c3cccnc3)nc2C1=O ZINC000205213307 GE Annotated Anodyne Cc1ccccc1CN1CCN(c2ncc(C(=O)N3CCN(C)CC3)s2)C1=O ZINC000205216013 GE Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c1 ZINC000205216881 GE Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c1 ZINC000205216903 GE Annotated Anodyne O=C(c1ccc2occc2c1)N1CCn2c(nnc2C(=O)N2CCCCC2)C1 ZINC000205218308 GE Annotated Anodyne O=C1COCc2cc(-c3cccc(CO)c3)ccc2N1CCN1CCOCC1 ZINC000205221117 GE Annotated Anodyne N#Cc1cccc(CN2CCN3C(C(=O)N4CCCCC4)=COC3=NC2=O)c1 ZINC000205224841 GE Annotated Mild Cc1ccccc1CN1CCN2C=C(C(=O)NCc3ccco3)OC2=NC1=O ZINC000205224989 GE Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)N(CCN2CCOCC2)C(=O)COC3)c1 ZINC000205226086 GE Annotated Mild O=C(NCC1CC1)c1nnc2n1CCN(C(=O)c1ccc3sccc3c1)C2 ZINC000205230464 GE Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)C[C@H]12 ZINC000205230572 GE Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)C[C@H]12 ZINC000205230590 GE Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)C[C@@H]12 ZINC000205230605 GE Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)C[C@@H]12 ZINC000205230621 GE Annotated Anodyne COc1cccc(CN2CCN3C=C(C(=O)N4CCCCC4)OC3=NC2=O)c1 ZINC000205235314 GE Annotated Anodyne Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@@H]5C=CC(C#N)=C[C@@H]5N4)c3N)cc2[nH]1 ZINC000205250401 GE Annotated Reactive Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@H]5C=CC(C#N)=C[C@@H]5N4)c3N)cc2[nH]1 ZINC000205250420 GE Annotated Reactive Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@@H]5C=CC(C#N)=C[C@H]5N4)c3N)cc2[nH]1 ZINC000205250435 GE Annotated Reactive Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@H]5C=CC(C#N)=C[C@H]5N4)c3N)cc2[nH]1 ZINC000205250446 GE Annotated Reactive O=C1C[C@]2(C(=O)Nc3cc(O)ccc32)[C@H](c2c[nH]c3ccccc23)[C@@H](CO)O1 ZINC000205281583 GE Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(CC(C)C)cc21 ZINC000205479233 GE Annotated Anodyne O=C(NCc1ccc(F)c(F)c1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O ZINC000205687941 GE Annotated Anodyne COc1cc2c(c(O)c1[C@H]1CCCCN1)C(=O)c1c(O)cc(CO)cc1C2=O ZINC000205731161 GE Annotated Clean Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)no1 ZINC000205787275 GE Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(C(F)(F)F)n1CCO2 ZINC000205812388 GE Annotated Mild Nc1ncnn2c([C@H](O)C3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000205817616 GE Annotated Anodyne Nc1ncnn2c([C@@H](O)C3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000205817638 GE Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H](C(C)=O)C(=O)NC2CCCCC2)c(OC)c1 ZINC000205861352 GE Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H](C(C)=O)C(=O)NC2CCCCC2)c(OC)c1 ZINC000205861369 GE Annotated Anodyne Cc1ccccc1CN1CCN2C(C(=O)NCC3CCOCC3)=COC2=NC1=O ZINC000206016647 GE Annotated Anodyne Cc1ccccc1CN1CCN(c2ncc(C(=O)NCCN(C)C)s2)C1=O ZINC000206016712 GE Annotated Anodyne O=C1COCc2ccc(-c3ccc4c(c3)OCO4)cc2N1CCN1CCOCC1 ZINC000206018663 GE Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)N=C(c3ccc4c(c3)OCO4)N(C)O2)cn1 ZINC000206018881 GE Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)N=C(c3ccc4c(c3)OCO4)N(C)O2)cn1 ZINC000206018907 GE Annotated Anodyne C[C@H](C(=O)NCCc1ccccc1)N1Cc2ccc(-c3ccnn3C)nc2C1=O ZINC000206019013 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)CCc2ccccc2)C1 ZINC000206019597 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)CCc2ccccc2)C1 ZINC000206019615 GE Annotated Anodyne Cc1cc(Nc2ccc3c(n2)C(=O)N(CC(=O)NCc2ccccc2)C3)n(C)n1 ZINC000206020027 GE Annotated Anodyne CC(C)CNc1ccc2c(n1)C(=O)N([C@H](C)C(=O)N[C@H](CO)c1ccccc1)C2 ZINC000206020061 GE Annotated Anodyne COc1cccc2c1N[C@]1(C)c3cc4c(cc3-n3nncc3CN1C2=O)OCO4 ZINC000206036861 GE Annotated Anodyne COc1cccc2c1N[C@@]1(C)c3cc4c(cc3-n3nncc3CN1C2=O)OCO4 ZINC000206036892 GE Annotated Anodyne O=C1[C@H](c2nnnn2-c2ccc(F)cc2)N(C2CC2)C(=O)N1c1ccccc1 ZINC000206054165 GE Annotated Anodyne O=C1[C@@H](c2nnnn2-c2ccc(F)cc2)N(C2CC2)C(=O)N1c1ccccc1 ZINC000206054183 GE Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)COCC(=O)N3CCN2CCOCC2)c1 ZINC000206055719 GE Annotated Mild Cc1noc(C)c1CN1CCN2C(C(=O)Nc3ccccc3)=COC2=NC1=O ZINC000206058975 GE Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(N3CCOCC3)cccc2c1 ZINC000206121167 GE Annotated Anodyne Cc1nc(N2CCOCC2)c(Br)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206197924 GE Annotated Mild NCc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1 ZINC000206395232 GE Annotated Anodyne CN1CCCN(C2=NC(=O)N(c3ccc(Br)cc3)C(=O)C2)CC1 ZINC000206491344 GE Annotated Anodyne CSc1c(CCNC(=O)c2ccc(O)c(Br)c2)n(C)c[n+]1C ZINC000207162107 GE Annotated Anodyne C/C=C\c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@H](OC)O2 ZINC000207601340 GE Annotated Clean O=C1N[C@H](C(=O)c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc(c23)C1=O ZINC000208936063 GE Annotated Clean C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC1(c2ccccc2)CC1 ZINC000208985857 GE Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC1(c2ccccc2)CC1 ZINC000208985925 GE Annotated Anodyne Cc1ccc(CN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)C2CC2)o1 ZINC000209050886 GE Annotated Anodyne Cc1ccc(CN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)C2CC2)o1 ZINC000209050951 GE Annotated Anodyne C=CCN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000209057441 GE Annotated Anodyne C=CCN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000209057470 GE Annotated Anodyne CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000209109520 GE Annotated Reactive O=C(COc1cccc2cccnc12)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000210239022 GE Annotated Anodyne in-vitro CC(=O)Nc1ccc(NC(=O)[C@@H]2CNC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000211159956 GE Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@H]2CNC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000211160009 GE Annotated Anodyne C=C1C/C(=C/C)C(=O)O[C@@H]2CC(=O)n3ccc(c32)COC(=O)[C@@]1(C)OC(C)=O ZINC000212555375 GE Annotated Mild C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1ccc(F)cc1F ZINC000212586463 GE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1ccc(F)cc1F ZINC000212586522 GE Annotated Anodyne CC(=O)N/C=C\c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](NC(C)=O)O2 ZINC000214228183 GE Annotated Clean CC(=O)N/C=C\c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](NC(C)=O)O2 ZINC000214228240 GE Annotated Clean C[C@@H](CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000021529596 GE Annotated Anodyne C[C@H](CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000021529597 GE Annotated Anodyne CCOC(=O)c1cc(Cn2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)on1 ZINC000021540952 GE Annotated Anodyne CC(C)CNC(=O)c1cncc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000021931189 GE Annotated Anodyne NC(=O)c1nc2c(s1)CCOc1cc(F)c(C#CC(O)(CF)CF)cc1-2 ZINC000215738982 GE Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)no1 ZINC000215743139 GE Annotated Mild Cn1c(C(N)=O)nc2c1C1CC(C1)c1ccc(C#C[C@@](C)(O)c3ncccn3)cc1-2 ZINC000215773557 GE Annotated Mild C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2ccc(F)c(F)c2)n1 ZINC000215983250 GE Annotated Mild N[C@@H](CC(=O)N1CC(=O)Nc2cccnc2C1)[C@H]1CCc2cc(F)c(F)cc21 ZINC000218043091 GE Annotated Anodyne C[C@@H](NS(C)(=O)=O)c1ccc(CNC[C@@H]2COc3ccccc3N2)cc1 ZINC000218642154 GE Annotated Anodyne C[C@@H](NS(C)(=O)=O)c1ccc(CNC[C@H]2COc3ccccc3N2)cc1 ZINC000218642231 GE Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(-c3ccoc3)cc21 ZINC000219006642 GE Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(C(C)(F)F)cc21 ZINC000219015897 GE Annotated Anodyne CC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cn3cccn3)cc21 ZINC000219016825 GE Annotated Anodyne COC1CCN(c2nccc(Nc3cc4nc(-c5cn[nH]c5)[nH]c4cn3)n2)CC1 ZINC000219083123 GE Annotated Anodyne in-vitro C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000219122132 GE Annotated Anodyne C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000219128604 GE Annotated Bother CCn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@H]4C[C@@H]3[C@@H]3C[C@H]43)c(F)c2)cn1 ZINC000219291634 GE Annotated Mild Cc1nn(C)cc1-c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 ZINC000219297909 GE Annotated Mild CN1CC=C(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1 ZINC000219301181 GE Annotated Mild CCn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 ZINC000219309034 GE Annotated Mild Cc1cn(C)c(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)n1 ZINC000219309721 GE Annotated Mild N#C[C@H](Cc1ccc(-c2cnc3n2CCC3)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219311323 GE Annotated Mild Cc1cnn(C)c1-c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 ZINC000219311499 GE Annotated Mild CN1CCC(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1 ZINC000219318310 GE Annotated Mild Cc1c(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cnn1C ZINC000219319439 GE Annotated Mild CCn1nccc1-c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 ZINC000219320685 GE Annotated Mild Cc1c(-c2ccc(C[C@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cnn1C ZINC000219321255 GE Annotated Mild Cc1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)n(C)n1 ZINC000219323362 GE Annotated Mild COC[C@](C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@H](F)CO2 ZINC000219403252 GE Annotated Mild COC[C@](C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@@H](F)CO2 ZINC000219447037 GE Annotated Mild COC[C@@](C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@H](F)CO2 ZINC000219447121 GE Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)c1ncccn1 ZINC000219456284 GE Annotated Mild C[C@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)c1ncccn1 ZINC000219456361 GE Annotated Mild C[C@]1(O)COc2ccc(C#CC3(O)CCCC3)cc2-c2nc(C(N)=O)sc21 ZINC000219457968 GE Annotated Mild COC[C@@](C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(F)(F)CO2 ZINC000219470044 GE Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](C)CO3)no1 ZINC000219471363 GE Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](C)CO3)no1 ZINC000219471434 GE Annotated Mild CN(C)Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219479423 GE Annotated Mild COC[C@@](C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@@H](F)CO2 ZINC000219492171 GE Annotated Mild CN(C)[C@@H]1COc2cc(F)c(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21 ZINC000219507186 GE Annotated Mild C[C@@]1(O)COc2ccc(C#CC3(O)CCCC3)cc2-c2nc(C(N)=O)sc21 ZINC000219507368 GE Annotated Mild COC[C@](C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(F)(F)CO2 ZINC000219516517 GE Annotated Mild CN(C)[C@H]1COc2cc(F)c(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21 ZINC000219563391 GE Annotated Mild C[C@@H]1O[C@@H](OCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953955 GE Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958371 GE Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960330 GE Annotated Anodyne in-vitro Cc1ccccc1CN1CCN([C@H](C)C(=O)NNC(=O)c2ccc(F)cc2)CC1 ZINC000022089320 GE Annotated Reactive Cc1ccccc1CN1CCN([C@@H](C)C(=O)NNC(=O)c2ccc(F)cc2)CC1 ZINC000022089324 GE Annotated Reactive COCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1C[C@@H](N)CS ZINC000022444690 GE Annotated Mild Cc1cnnc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 ZINC000220715078 GE Annotated Anodyne Cc1cnnc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1 ZINC000220715147 GE Annotated Anodyne CC(=O)n1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 ZINC000220820363 GE Annotated Mild Cc1c(-c2ccc(N3CCN(C)CC3)nc2)c(=O)oc2c(C=O)c(O)ccc12 ZINC000221058478 GE Annotated Anodyne Cc1nc(N2CCc3c(ccc(O)c3C=O)C2)sc1C(=O)N1CCOCC1 ZINC000221062135 GE Annotated Anodyne N#C[C@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc3c(c2)CCS3(=O)=O)n1 ZINC000221091774 GE Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc3c(c2)CCS3(=O)=O)n1 ZINC000221091828 GE Annotated Mild N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc3c(c2)CCS3(=O)=O)n1 ZINC000221091873 GE Annotated Mild N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000221130847 GE Annotated Mild N#C[C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000221130961 GE Annotated Mild COC(=O)c1ncc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1C ZINC000221137179 GE Annotated Mild N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)F)nc2)n1 ZINC000221144431 GE Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)F)nc2)n1 ZINC000221144550 GE Annotated Mild CS(=O)(=O)c1ccc(Nc2nn([C@@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221158098 GE Annotated Mild CS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221158162 GE Annotated Mild CS(=O)(=O)c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1 ZINC000221158221 GE Annotated Mild CS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1 ZINC000221158270 GE Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1Cl ZINC000221257494 GE Annotated Anodyne CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccnc(Cl)c1C#N ZINC000221635485 GE Annotated Mild CCOc1ccc2cc(-c3nn(CC(C)(C)CO)c(N)c3C(N)=O)cnc2c1 ZINC000221714637 GE Annotated Anodyne CCOc1ccc2cc(-c3nn(CC(C)(C)CO)c(N)c3C(N)=O)ccc2n1 ZINC000221714983 GE Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ncn[nH]3)c2)c2cncnc21 ZINC000221757496 GE Annotated Anodyne C[C@@](CCc1ccc(-c2cnc3cc[nH]c3c2)cc1)(C(=O)NO)S(C)(=O)=O ZINC000221801660 GE Annotated Bother N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C=O)cc2)n1 ZINC000221865299 GE Annotated Mild C(=N/Nc1nc2c(c(N3CCOCC3)n1)CSCC2)\c1ccc2c(c1)OCO2 ZINC000222034982 GE Annotated Mild N#Cc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)cc1 ZINC000222037811 GE Annotated Mild COc1ccc(NC(=O)c2cc(-c3ccc(N=C(N)N)cc3)n[nH]2)c(OC)c1 ZINC000222119259 GE Annotated Mild NC(N)=Nc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)[nH]n2)cc1 ZINC000222124826 GE Annotated Mild C[C@@]12C(=O)c3cccc(O)c3C(=O)[C@@H]1C[C@]13O[C@@]12C(=O)c1c(O)cccc1C3=O ZINC000222395701 GE Annotated Clean COc1c2c(cc3c1-c1cc4c(CO)c5c(cc4c[n+]1CC3)OCO5)OCO2 ZINC000222485351 GE Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2 ZINC000222923235 GE Annotated Mild CC1(N[C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccccc4)n3)[C@@H](C#N)C2)COC1 ZINC000222981738 GE Annotated Mild CC1(N[C@H]2CC[C@@H](n3cc(C(N)=O)c(Nc4ccccc4)n3)[C@@H](C#N)C2)COC1 ZINC000222981796 GE Annotated Mild COc1ccc(-c2cnc3c(N(CCO)CCO)snc3c2)cc1OC ZINC000223102873 GE Annotated Anodyne O=C(NCc1ccc(S(=O)(=O)C2CCOCC2)cc1)c1cc2cnccc2[nH]1 ZINC000223611126 GE Annotated Anodyne NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCC1(C3)OCCO1 ZINC000223673445 GE Annotated Anodyne NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)C1CC1)C3 ZINC000223689391 GE Annotated Anodyne CCC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 ZINC000223689720 GE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3cncn3)c2F)cn1 ZINC000224547213 GE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3cncn3)c2F)cn1 ZINC000224547270 GE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3nccn3)c2F)cn1 ZINC000224552218 GE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3nccn3)c2F)cn1 ZINC000224552262 GE Annotated Anodyne CS(=O)(=O)NCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224567781 GE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3ccnn3)c2F)cn1 ZINC000224584139 GE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3ccnn3)c2F)cn1 ZINC000224584190 GE Annotated Anodyne Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)[C@@H]3CCNC3)cc2F)cn1 ZINC000224765949 GE Annotated Anodyne Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)[C@H]3CCNC3)cc2F)cn1 ZINC000224765999 GE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCNC(=O)C3)cc2F)cn1 ZINC000224799219 GE Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)[C@@H]3CCNC3)cc2F)cn1 ZINC000224800929 GE Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)[C@H]3CCNC3)cc2F)cn1 ZINC000224800972 GE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2)cn1 ZINC000224807603 GE Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCNC(=O)C3)cc2F)cn1 ZINC000224820346 GE Annotated Anodyne OCCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1 ZINC000022586634 GE Annotated Clean CCN1CCC[C@@H]1CN(Cc1cc(C)[nH]n1)CC1CCN(CCOC)CC1 ZINC000022851476 GE Annotated Anodyne CCN1CCC[C@H]1CN(Cc1cc(C)[nH]n1)CC1CCN(CCOC)CC1 ZINC000022851478 GE Annotated Anodyne COC(=N)[C@]1(C#N)N[C@@H](c2ccsc2)C(C#N)(C#N)N[C@H]1c1ccsc1 ZINC000022859369 GE Annotated Anodyne c1cnc(-c2noc(CN3CCN(C4C5CC6CC(C5)CC4C6)CC3)n2)cn1 ZINC000022932800 GE Annotated Anodyne Cc1c(C)c2c(c(C)c1O)[C@H](CN1CCN(CCOCCO)CC1)C(C)(C)O2 ZINC000022934295 GE Annotated Anodyne Cc1c(C)c2c(c(C)c1O)[C@@H](CN1CCN(CCOCCO)CC1)C(C)(C)O2 ZINC000022934299 GE Annotated Anodyne Cc1c(C)c2c(c(C)c1O)[C@@H](C(=O)OCCN1CCN(C)CC1)C(C)(C)O2 ZINC000022934311 GE Annotated Anodyne Cc1c(C)c2c(c(C)c1O)[C@H](C(=O)OCCN1CCN(C)CC1)C(C)(C)O2 ZINC000022934315 GE Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)c(-n2ccnn2)n1 ZINC000226051236 GE Annotated Anodyne Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccncc2)C3)n1 ZINC000226077748 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000227269594 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227270978 GE Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227271139 GE Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227271148 GE Annotated Anodyne COCCN1CCN(C(=O)CCc2nnc(CCC3CCCCC3)o2)CC1 ZINC000023128898 GE Annotated Anodyne COc1ccc(Nc2ncc(CN3CCN(c4cn[nH]c(=O)c4)CC3)s2)cc1 ZINC000023128992 GE Annotated Anodyne O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000023153276 GE Annotated Anodyne O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000023153277 GE Annotated Anodyne O=C(Nc1ccccc1)N1CCC(n2cc(CN3CCC[C@@H]3CO)nn2)CC1 ZINC000023159411 GE Annotated Anodyne O[C@H]1[C@H](N2CCC(Oc3ncccn3)CC2)c2ccccc2C12CCNCC2 ZINC000023191945 GE Annotated Anodyne O=C(NC[C@H](c1ccccn1)N1CCOCC1)Nc1nnc(C2CCC2)s1 ZINC000023192174 GE Annotated Anodyne O=C(NC[C@@H](c1ccccn1)N1CCOCC1)Nc1nnc(C2CCC2)s1 ZINC000023192178 GE Annotated Anodyne C[C@@H]1CCc2n[nH]c(C(=O)N3CCC(n4cc(CN5CCCC5)nn4)CC3)c2C1 ZINC000023214010 GE Annotated Anodyne C[C@H]1CCc2n[nH]c(C(=O)N3CCC(n4cc(CN5CCCC5)nn4)CC3)c2C1 ZINC000023214012 GE Annotated Anodyne N#Cc1ccccc1N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 ZINC000023232446 GE Annotated Mild O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)N1CCS(=O)(=O)CC1 ZINC000023250611 GE Annotated Anodyne Cc1cccc(-n2cnc(C(=O)N3CCc4[nH]nc(-c5ccno5)c4C3)c2)n1 ZINC000023310874 GE Annotated Anodyne CCNC(=O)N1CCC(n2cc(CN3CCC[C@@H]3c3nccs3)nn2)CC1 ZINC000023311680 GE Annotated Anodyne CCNC(=O)N1CCC(n2cc(CN3CCC[C@H]3c3nccs3)nn2)CC1 ZINC000023311685 GE Annotated Anodyne Cc1c(O)nc(-c2cccc(CN3CCCNC(=O)C3)c2)nc1C(F)(F)F ZINC000023311813 GE Annotated Anodyne Cc1ccc(NC(=O)N2CCC(Cn3cc(CN4CCOCC4)nn3)CC2)cc1 ZINC000023366913 GE Annotated Anodyne O=c1cc([C@@H]2CCCN(Cc3cc(=O)n4c5c(cccc35)CCC4)C2)nc[nH]1 ZINC000023380280 GE Annotated Anodyne O=c1cc([C@H]2CCCN(Cc3cc(=O)n4c5c(cccc35)CCC4)C2)nc[nH]1 ZINC000023380282 GE Annotated Anodyne COc1ccc(OC)c(Nc2ncc(CN[C@H]3C=CS(=O)(=O)C3)s2)c1 ZINC000023429006 GE Annotated Anodyne COc1ccc(OC)c(Nc2ncc(CN[C@@H]3C=CS(=O)(=O)C3)s2)c1 ZINC000023429011 GE Annotated Anodyne COC(=N)[C@@]1(C#N)N[C@@H](c2ccsc2)C(C#N)(C#N)N[C@@H]1c1ccsc1 ZINC000023478278 GE Annotated Mild COC(=N)[C@]1(C#N)N[C@@H](c2ccsc2)C(C#N)(C#N)N[C@@H]1c1ccsc1 ZINC000023478280 GE Annotated Mild C=C1CC[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)=CC2=O ZINC000230067849 GE Annotated Mild in-man C=C1CC[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)=CC2=O ZINC000230067854 GE Annotated Mild in-man C=C1CC[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)=CC2=O ZINC000230067858 GE Annotated Mild in-man C=C1CC[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)=CC2=O ZINC000230067862 GE Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088092 GE Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088098 GE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088104 GE Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088108 GE Annotated Mild in-man C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)[C@@H]2CC[C@H](O[C@@H]2OC)[C@@H]1C ZINC000230103852 GE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)[C@@H]2CC[C@H](O[C@@H]2OC)[C@@H]1C ZINC000230103857 GE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@@H]2CC[C@H](O[C@@H]2OC)[C@@H]1C ZINC000230103864 GE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)[C@@H]2CC[C@H](O[C@@H]2OC)[C@@H]1C ZINC000230103871 GE Annotated Anodyne in-man COc1cncc([C@@H](NC(=O)c2scc3c2OCCO3)C2CC(O)C2)c1 ZINC000230585574 GE Annotated Anodyne CC(C)(C)c1nccc(-c2cnc(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(N)=O)s2)n1 ZINC000230815855 GE Annotated Anodyne CC(C)(C)c1nccc(-c2cnc(NC(=O)N3C[C@@H]4C[C@H]4[C@@H]3C(N)=O)s2)n1 ZINC000230815900 GE Annotated Anodyne COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncc[nH]4)C3=C2)cn1 ZINC000231366507 GE Annotated Anodyne CN(Cc1cnccn1)C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000023505629 GE Annotated Anodyne Cc1cnccc1N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 ZINC000023506348 GE Annotated Anodyne O=c1cc([C@@H]2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)nc[nH]1 ZINC000023543046 GE Annotated Clean O=c1cc([C@H]2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)nc[nH]1 ZINC000023543050 GE Annotated Clean Cc1c(C#N)c2ccccc2n1CC(=O)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000023543718 GE Annotated Mild CN(Cc1cccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)c1)Cc1cc[nH]n1 ZINC000023581318 GE Annotated Anodyne O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCc2n[nH]c(-c3ccno3)c2C1 ZINC000023581891 GE Annotated Anodyne O=C([C@H]1CCCN(c2ccccn2)C1)N1CCc2[nH]nc(-c3ccno3)c2C1 ZINC000023581893 GE Annotated Anodyne Cc1cc(C)n(C[C@H](C)N2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)n1 ZINC000023619148 GE Annotated Anodyne Cc1cc(C)n(C[C@@H](C)N2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)n1 ZINC000023619151 GE Annotated Anodyne C=C1[C@H]2CC[C@@H]3C(C)=C[C@@]2(C[C@H](O)[C@]2(O)[C@@H]1C[C@@H](O)C2(C)C)[C@H]3OC(C)=O ZINC000238730689 GE Annotated Mild CC(=O)OCc1ccc(C(O)(COC(=O)C(C)C)COC(=O)C(C)C)c(O)c1 ZINC000238730970 GE Annotated Anodyne C/C=C1/C=[N+]([O-])[C@@]2(C)C[C@@H]1[C@@H](C(=O)OC)[C@@]13C[C@H](O)C[C@@H]1N2c1ccccc13 ZINC000238732012 GE Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@@H]2C[C@]3(C)[C@@H](OC(C)=O)C[C@@](C)(COC(C)=O)[C@@H]3[C@@]12O ZINC000238732769 GE Annotated Mild C=C1[C@@H](O)Cc2occ(C)c2[C@@H]2[C@@H]1[C@]13O[C@]1(C[C@H](C)[C@@H]3OC(C)=O)[C@H]1O[C@@]21C ZINC000238733186 GE Annotated Mild O=C1CC[C@]2(C=C1Br)CCNC1=C2C2=NCCc3c[nH]c(c32)C1=O ZINC000238733662 GE Annotated Mild C[C@@H]1CC[C@@]2(O)[C@]13CC(=O)[C@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@]21C)[C@@H]3O ZINC000238733864 GE Annotated Anodyne COC(=O)N1c2ccccc2[C@@H]2[C@H]3N4CCC[C@]35CC[C@@]21[C@@](O)(C5)C(=O)CC4 ZINC000238733936 GE Annotated Anodyne CCO[C@H]1C2=C(C(=O)C(O)=C([C@H](C)CO)C2=O)[C@@]2(C)CCCC(C)(C)[C@H]2[C@@H]1O ZINC000238734093 GE Annotated Mild COc1c2c(cc3c1OCO3)[C@H]1[C@H](c3ccc4c(c3CN1C)OCO4)[C@H](O)C2 ZINC000238734111 GE Annotated Anodyne C/C=C(/C)C(=O)OC[C@](O)(CO)c1ccc(COC(=O)[C@H](C)CC)cc1O ZINC000238734252 GE Annotated Anodyne C=C(CO)[C@@H]1C=C2C=C[C@H]3C(C)(C)[C@H](OC(C)=O)C[C@@H](O)[C@]3(C)[C@H]2[C@H](O)C1 ZINC000238734605 GE Annotated Mild C=C(C)[C@H]1c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)[C@@H](O)/C=C2\C(=O)O[C@@H]1[C@@H]2O ZINC000238734683 GE Annotated Mild C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@]2(CO)C(=O)OC ZINC000238734841 GE Annotated Anodyne CN(C)[C@@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@H]45)[C@H]3CC[C@]12C ZINC000238734923 GE Annotated Anodyne COC(=O)COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1 ZINC000238735103 GE Annotated Anodyne CC1=C2/C=C/[C@@](C)(O)C/C=C/[C@](C)(OO)CCC[C@H](C)C(=O)[C@@]2(O)OC1=O ZINC000238735846 GE Annotated Reactive CC(=O)OCC1=C2[C@@H](OC(C)=O)CC(C)=C=CCC[C@@]3(C)O[C@@H]3[C@H]2OC1=O ZINC000238736021 GE Annotated Anodyne COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N[C@]15CC2)[C@@H]43 ZINC000238736111 GE Annotated Anodyne C/C=C/C=C\C=C\C1=C2C(=O)O[C@H](C)C[C@@H](O)C[C@@H](O)[C@@H]3C(=O)C=C[C@H](O1)[C@H]23 ZINC000238736403 GE Annotated Mild COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@@H](CC[C@@]52CO)[C@]63O)CC[C@@H]41 ZINC000238736651 GE Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](CCc3ccoc3)[C@@H](C)C(=O)C[C@@H]2[C@H](CO)[C@H]1O ZINC000238736748 GE Annotated Anodyne CCO[C@@]12[C@@H]3CC(=O)N4c5ccccc5[C@@]5(CCN6CC(=CCO3)[C@@H]1C[C@H]65)[C@@H]42 ZINC000238736758 GE Annotated Anodyne C=C1[C@H](O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@@H](OC(C)=O)[C@](C)(CO)[C@H]1C[C@@H]3O ZINC000238736775 GE Annotated Mild OCC(=CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4)CO ZINC000238737257 GE Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238737377 GE Annotated Mild COC(=O)C1=C2Nc3cc(OC)ccc3[C@]23CCN2CCC[C@]([C@@H](C)O)(C1)[C@@H]23 ZINC000238737530 GE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4C[C@H]5C=CO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000238737693 GE Annotated Anodyne CC[C@H]1[C@@H]2OC(=O)[C@H](C)C2=C2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCCC(=O)[C@]213 ZINC000238738726 GE Annotated Anodyne CCO[C@H]1C=C2[C@@H](O)CN3CCCc4cc(OC)c(OC)cc4[C@]23C[C@H]1OC ZINC000238738792 GE Annotated Anodyne C[C@@H]1O[C@]1(C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)OC=O ZINC000238739039 GE Annotated Mild C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@]([C@@H]4C(=O)O[C@H](c5ccoc5)[C@H]4O)(O1)[C@]23C ZINC000238739209 GE Annotated Anodyne CC[C@@H]1OC(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000238739359 GE Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O[C@H]2OCC ZINC000238739435 GE Annotated Mild COc1ccc2c(c1O)N(C(C)=O)[C@@H]1CC[C@@]3(CCO)CCCN4CC[C@@]21[C@H]43 ZINC000238739890 GE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C[C@@]3(OC)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238739999 GE Annotated Anodyne C/C=C1/CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@@H](OC)C(=O)N(c4ccccc42)[C@@H]13 ZINC000238740255 GE Annotated Anodyne C=C1[C@@H]2CC[C@H]3C(C)=C[C@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)[C@H]3OC(C)=O ZINC000238740350 GE Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO ZINC000238740616 GE Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@@H]2O[C@@H](OCC)[C@@H]4C(C)(C)CC[C@H](O)[C@@]234)[C@@H]1O ZINC000238740841 GE Annotated Mild C/C=C1\CN2CC[C@@H]1[C@]1(C(=O)OC)C(=O)[C@@]3(C[C@H]21)c1ccccc1N[C@H]3OC ZINC000238740858 GE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C(=O)C(C(C)=O)=C[C@]2(C)[C@@H](C)[C@@H](OC(C)=O)CC[C@]12O ZINC000238740859 GE Annotated Mild C=C1CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@H]([C@@H]12)[C@@H](O)[C@](C)(O)[C@@H](O)CC[C@@]3(C)OC(C)=O ZINC000238740975 GE Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H]1O[C@](C)(OC)O[C@H]3C[C@@H](OC(C)=O)C(=C)[C@H]2[C@]31C ZINC000238741006 GE Annotated Mild C/C=C1/CN2CC[C@]34c5cc(OC)ccc5N5C(=O)[C@@H](OC)OC[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000238741215 GE Annotated Anodyne COC(=O)[C@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C[C@@H](O)[C@@]52C)[C@]63O)CC[C@@H]41 ZINC000238741922 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](CC[C@@]52CO)[C@]63O)CC[C@@H]41 ZINC000238742045 GE Annotated Anodyne CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000238742122 GE Annotated Anodyne CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@]3(O)[C@@H]2[C@H](C)C(=O)O[C@H]12 ZINC000238742568 GE Annotated Anodyne C=C(C)C(=O)OCC1=C([C@@H](C)CCCOC(C)=O)[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C1 ZINC000238743008 GE Annotated Mild CCc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN(C)CC[C@]25C(=O)C[C@@H]4[C@@H]3[C@H]15 ZINC000238743156 GE Annotated Anodyne C[C@H]1C[C@@H](O)[C@]2(O)[C@@]13CC(=O)O[C@@H](C3)[C@H](C)[C@]2(C)COC(=O)c1ccccc1 ZINC000238743185 GE Annotated Anodyne C=C(C)[C@@H]1C/C=C2\C[C@H](C[C@H](C(=O)OC)C(=O)CC(=O)[C@@]3(C)O[C@H]3C1)OC2=O ZINC000238743186 GE Annotated Mild C/C=C1/C=[N+]([O-])[C@@H]2C[C@H]1[C@@H](C(=O)OC)[C@@]13C[C@H](OC)O[C@@]21Nc1ccccc13 ZINC000238744060 GE Annotated Anodyne C=C1C[C@H](OC(C)=O)[C@@H](C(C)C)[C@H](OC(C)=O)[C@@H]2[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)O ZINC000238744070 GE Annotated Mild COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N[C@]15CC2)[C@@]43O ZINC000238744481 GE Annotated Anodyne CC[C@H]1CN2CCc3c([nH]c4cc(O)c(O)cc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC ZINC000238744665 GE Annotated Clean O=C1O[C@H](CO)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000238744733 GE Annotated Anodyne CC(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2[C@@]1(O)CC[C@@H]1C(C)(C)C(=O)C=C[C@]12C ZINC000238745269 GE Annotated Mild COc1c2c(cc3c1[C@@H]1[C@@H](c4ccc5c(c4CN1C)OCO5)[C@@H](O)C3)OCO2 ZINC000238745344 GE Annotated Anodyne C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)cc(OC)c6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5C(=O)OC ZINC000238745400 GE Annotated Anodyne C=C1CC[C@H]2[C@@H]([C@H]3C(COC(C)=O)=CO[C@H](OC(C)=O)[C@@H]13)[C@]2(C)C(=O)OC ZINC000238745589 GE Annotated Mild C=C1C[C@]23CC[C@@]1(O)C[C@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238746313 GE Annotated Mild COC(=O)C1=CCC[C@H]2[C@@]1(CO)CC[C@@H](C)[C@]2(C)CCC1=C[C@@H](O)OC1=O ZINC000238746432 GE Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@@H](OC(C)=O)[C@](C)(CO)[C@H]1[C@H](O)[C@@H]3O ZINC000238746771 GE Annotated Mild CCCCC[C@H](O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C[C@H](C)O)NC=C3[C@@H]12 ZINC000238746954 GE Annotated Mild CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000238747078 GE Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@@]21C)[C@@H]3O ZINC000238747261 GE Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1[C@H](OC(C)=O)C=C(C(=O)OC)C[C@H]1OC(=O)[C@H](C)CC ZINC000238747815 GE Annotated Anodyne C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000238748294 GE Annotated Anodyne C=C([C@H](O)/C=C/[C@@](C)(O)COC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000238748411 GE Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC[C@H](C(=O)O)[C@@]12C ZINC000238748467 GE Annotated Anodyne COC(=O)C1=CCC[C@H]2[C@@]1(CO)CC[C@@H](C)[C@]2(C)CCC1=C[C@H](O)OC1=O ZINC000238748472 GE Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@H]24 ZINC000238748505 GE Annotated Anodyne COc1ccc2c(c1O)N(C(C)=O)[C@@H]1CC[C@]3(CCO)CCCN4CC[C@@]21[C@@H]43 ZINC000238748551 GE Annotated Anodyne CC1=C(C(=O)O[C@]23OC[C@@]4(C)[C@@]5(O)CC[C@@H](C)[C@@]5(CC(=O)[C@]42C)[C@H]3O)CCC1 ZINC000238748831 GE Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000238749609 GE Annotated Anodyne CC(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(=O)C(C)C)[C@H]21 ZINC000238749619 GE Annotated Mild CO[C@@H]1C[C@H]2[C@]3(C)CCC[C@@]2(C2=C1C(=O)C(C(C)C)=C(O)C2=O)[C@H](O)OC3 ZINC000238749859 GE Annotated Mild C=C(COC(C)=O)[C@@H]1CC[C@@H](C)[C@H]2C[C@H](O)C(COC(C)=O)=C2[C@@H]1OC(C)=O ZINC000238750015 GE Annotated Mild CC1=C2CC[C@]3(C[C@@H](C)C(=O)O3)[C@@H]3CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N3[C@H]2OC1=O ZINC000238750195 GE Annotated Anodyne C/C=C1/C=[N+]([O-])[C@@H]2C[C@H]1[C@@H](C(=O)OC)[C@@]13C[C@@H](OC)O[C@@]21Nc1ccccc13 ZINC000238750387 GE Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@H](OCC)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000238750573 GE Annotated Mild C/C=C1/C[C@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O ZINC000238750671 GE Annotated Anodyne C=C1CC[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)=CC2=O ZINC000238750865 GE Annotated Mild COC[C@@H]1C(=O)O[C@@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@]3(CO)O[C@H]3C[C@H]21 ZINC000238751363 GE Annotated Anodyne COC[C@H]1C(=O)O[C@@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@]3(CO)O[C@H]3C[C@@H]12 ZINC000238751371 GE Annotated Anodyne COC(=O)[C@H]1C[C@@]23CC[C@]14N(C=O)c1ccccc1[C@]41CCN(CC[C@@H]2OC)[C@@H]13 ZINC000238751484 GE Annotated Anodyne C=CC[C@]12C=C(O)C(=O)[C@](OC)([C@H]1O)[C@@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C ZINC000238751527 GE Annotated Mild C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)[C@@H](C)[C@@H]2CC[C@H]1[C@@H](OC)O2 ZINC000238751926 GE Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](OCC)[C@@H](O)[C@H]1[C@@](C)(CO)CCC[C@]21C ZINC000238752339 GE Annotated Mild COC(=O)[C@]1(O)[C@H](O)CC[C@@H]2[C@@](C)(CCC3=CCOC3=O)[C@H](C)CC[C@@]21C ZINC000238752391 GE Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N[C@H]3[C@@H]2C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC ZINC000238753112 GE Annotated Anodyne COC(=O)c1c(C)cc(OC(=O)c2c(C)c(O)c(O)c(C=O)c2O)c(C)c1O ZINC000238753453 GE Annotated Clean 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@H]34 ZINC000238753566 GE Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@](C)(O)CCl)=C/C[C@@H]12 ZINC000238754067 GE Annotated Reactive COC(=O)/C=C(\C)C1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000238754102 GE Annotated Anodyne COC(=O)[C@]12C[C@@]3(C=CCN4CC[C@@]5(c6ccccc6N[C@@]15OC)[C@H]43)[C@@H](C)O2 ZINC000238754280 GE Annotated Anodyne CC/C(C)=C/C(=O)O[C@@H]1C=C(C(=O)OC)C[C@@H](OC(=O)/C=C(\C)CC)[C@@H]1O ZINC000238754312 GE Annotated Anodyne C[C@@H]1C[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 ZINC000238754551 GE Annotated Anodyne C=C(C)C(=O)O[C@H](C/C(C)=C/CO)[C@H]1C(=C)C(=O)O[C@@H]1/C=C(\C)COC(C)=O ZINC000238754767 GE Annotated Mild COC(=O)[C@@H]1CCC[C@H]2[C@]1(C)[C@H](O)C[C@@H](C)[C@@]2(C)C[C@@H](O)C1=CC(=O)OC1 ZINC000238755106 GE Annotated Anodyne CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@](CO)([C@H](O)CO)O[C@@]3(C)CC[C@H]12 ZINC000238755680 GE Annotated Anodyne CCO[C@@]1(OC)C(Br)=C[C@](O)(CC(=O)O)C=C1Br ZINC000238755839 GE Annotated Anodyne CC/C(C)=C/C(=O)O[C@@H]1CC(C(=O)OC)=C[C@@H](O)[C@H]1OC(=O)/C=C(\C)CC ZINC000238756329 GE Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4C[C@H](O)[C@@H]1[C@H]2O[C@@H](C)O[C@@H]3C[C@@H]1C(C)(C)[C@@H](O)CC[C@]14C ZINC000238756487 GE Annotated Mild COC(=O)c1c(OC(C)=O)cc2c(c1C)C(=O)c1c(OC(C)=O)cccc1C2=O ZINC000238757223 GE Annotated Clean CC(=O)O[C@H]1C[C@@](C)(OC(C)=O)C[C@H]2CC(=O)/C3=C/CCN(C=O)CCC[C@@]321 ZINC000238757330 GE Annotated Mild COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)[C@@H]4CN(C)CC[C@]21C(=O)C[C@@H]43 ZINC000238757484 GE Annotated Anodyne C=C1C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)C(=C)[C@@H]2CC[C@@H]1[C@@H]3OC(C)=O ZINC000238757578 GE Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C[C@@H](OO)C(=C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000238757784 GE Annotated Reactive C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C[C@@H](OO)C(=C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000238757795 GE Annotated Reactive COc1ccc([C@@H](O)[C@@H]2CO[C@H](c3ccc(OC)c(O)c3)[C@H]2CO)cc1O ZINC000238757801 GE Annotated Anodyne 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@H]34 ZINC000238757968 GE Annotated Anodyne COC(=O)[C@]12C[C@@]3(C=CCN4CC[C@@]5(c6ccccc6N[C@@]15OC)[C@H]43)[C@H](C)O2 ZINC000238758018 GE Annotated Anodyne C/C=C1/CN2CC[C@@H]1[C@@](COC(C)=O)(C(=O)CO)c1[nH]c3ccccc3c1C2 ZINC000238758260 GE Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@H](C)CC)CC/C=C(\C(=O)O)C[C@@H](O)[C@@H]12 ZINC000238758645 GE Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C(O)C(=O)C(C[C@H](C)O)=C(O)C3=CC(=O)[C@H]12 ZINC000238758718 GE Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@@H](O)[C@]3(C)[C@H](C(=O)C(OC)=C(C)[C@@H]3CC=O)[C@@]2(C)C1=O ZINC000238758791 GE Annotated Mild CCO[C@H]1C2=C(C(=O)C(O)=C([C@H](C)CO)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000238758900 GE Annotated Mild O=C(O[C@H]1[C@@H]2C=C[C@H]1O2)c1cccc2c1C[C@H]1Oc3cccc(O)c3[C@H](O)[C@@H]1O2 ZINC000238758975 GE Annotated Anodyne CCOC(=O)N1C[C@@H]2OC(=O)c3cc4c(cc3[C@]23C=C[C@H](OC)C[C@H]13)OCO4 ZINC000238759119 GE Annotated Anodyne C=C1CCC2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C[C@H]1OO ZINC000238759231 GE Annotated Reactive CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@H]4CO4)C[C@H]3[C@H](O)C[C@@H]2[C@@]2(CO)C[C@@H]12 ZINC000238759270 GE Annotated Anodyne CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](O)[C@]21CO1 ZINC000238759561 GE Annotated Anodyne C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@@]4(CCC(=O)O)[C@@H]2[C@]1(O)CC[C@@]34CO ZINC000238759689 GE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3([O-])CC[C@@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]12 ZINC000238759774 GE Annotated Bother CC(=O)OCC1=C2C/C=C(/C)[C@@H](OO)C[C@H](OC(C)=O)/C(C)=C/[C@H]2OC1=O ZINC000238759829 GE Annotated Reactive COC(=O)[C@@]1(CO)C[C@]23CCCN4CC[C@]5(c6ccccc6N(C)[C@@]15CC2)[C@H]43 ZINC000238759866 GE Annotated Anodyne C/C=C1/CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@H](OC)C(=O)N(c4ccccc42)[C@@H]13 ZINC000238759891 GE Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)CC(C)C)C=C(C)[C@]1(O)C[C@@H](Cl)[C@](C)(O)[C@H]21 ZINC000238759936 GE Annotated Reactive CC[C@H]1OC(=O)[C@H](C)C(=O)[C@@]2(O)CO[C@@](OC)(C[C@@H](C)C/C(C)=C\[C@@]1(C)O)C2 ZINC000238759941 GE Annotated Anodyne CCCCCC(=O)O[C@H]1C[C@]2(C)O[C@H]2CC[C@@](C)(O)/C=C2/OC(=O)C(CO)=C21 ZINC000238759952 GE Annotated Anodyne CC(=O)O[C@@]1(c2ccc3c(c2)OCO3)C(=O)OC[C@H]1Cc1ccc2c(c1)OCO2 ZINC000238760163 GE Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C(=O)O)CC/C=C(\COC(=O)[C@H](C)CC)C[C@@H](O)[C@@H]12 ZINC000238760505 GE Annotated Mild C=C([C@H](O)[C@@H](O)/C=C(/C)COC(C)=O)[C@@H]1C[C@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000238760548 GE Annotated Mild C=C1[C@@H]2C=CC(=O)[C@@](C[C@H]3OC(=O)[C@]4(C)CCC[C@@](C)(O)[C@H]34)(C2)[C@@H]1OC(C)=O ZINC000238760611 GE Annotated Mild C/C=C1/CN2CC[C@@]34c5cc(O)ccc5[N+](C)([O-])[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25 ZINC000238760952 GE Annotated Bother C/C=C1\CN2CC[C@@]34c5cc(O)ccc5[N+](C)([O-])[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25 ZINC000238760974 GE Annotated Bother C=CC[C@]12C[C@H](OC)C(=O)[C@](OC)([C@H](c3ccc(OC)c(O)c3)[C@H]1C)[C@H]2O ZINC000238761433 GE Annotated Mild 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(OC)C[C@]12O ZINC000238761748 GE Annotated Anodyne C=C1[C@@H](C)CC[C@]2(C)C3=C(C(=O)C(C[C@H](C)O)=C(O)C3=O)[C@H](OC)[C@@H](O)[C@@H]12 ZINC000238761797 GE Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@](C)(O)CCl)=C/C[C@@H]12 ZINC000238761892 GE Annotated Reactive COc1ccc2c(c1)N(C)[C@H]1[C@@](O)(OC(C)=O)[C@@H](C)[C@]3(C)C=CCN4CC[C@]21[C@@H]43 ZINC000238761965 GE Annotated Anodyne COC1=C(C)[C@H]2CC(=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@]23C ZINC000238762115 GE Annotated Mild C=C([C@H](O)/C=C/[C@@](C)(O)COC(C)=O)[C@@H]1C[C@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000238762240 GE Annotated Mild COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000238762465 GE Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C=O)=C\C[C@H](OC(=O)C(C)C)/C(COC(C)=O)=C/C[C@H]12 ZINC000238762508 GE Annotated Reactive COC(=O)[C@@H]1C[C@@]23C(=O)[C@@H]4C[C@H]5N(C[C@H]4C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@]53CO ZINC000238762813 GE Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)OC ZINC000238762941 GE Annotated Mild CO[C@H]1OC[C@]23CCC[C@@]1(C)[C@@H]2C[C@@H](O)C1=C3C(=O)C(O)=C(C(C)C)C1=O ZINC000238763152 GE Annotated Mild C=C1C(=O)O[C@@H]2CC(COC(=O)C(C)C)=C([C@@H](C)CCCOC(C)=O)[C@@H](O)[C@@H]12 ZINC000238763262 GE Annotated Mild CCC(=O)O[C@@H]1[C@H](OC(C)=O)C=C(C(=O)OC)C[C@H]1OC(=O)C[C@@H](C)CC ZINC000238763627 GE Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)C[C@@H](C)CC)[C@@]1(C)[C@@H](O)C[C@H]3O[C@@]3(C)[C@H]21 ZINC000238763815 GE Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000238763873 GE Annotated Anodyne COC1=CC[C@@H]2C[C@H]3O[C@@H](O)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238764103 GE Annotated Mild C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]2O ZINC000238764257 GE Annotated Mild C=C(COC(C)=O)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238764597 GE Annotated Mild COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)[C@@H]4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238765036 GE Annotated Anodyne CC[C@H](O)[C@H](/C=C(C)\C=C1/C=CC2=NCC[C@@H]3O[C@@]213)O[C@@H]1CC[C@H](O)[C@H](C)O1 ZINC000238765342 GE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(Nc5ccc(OC)cc5C4=O)[C@@H]3C[C@H]12 ZINC000238765429 GE Annotated Anodyne COC(=O)C1=C(C2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000238765512 GE Annotated Mild C=C1[C@H](O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@@H](O)[C@](C)(COC(C)=O)[C@H]1C[C@@H]3O ZINC000238765582 GE Annotated Mild C=C1C(=O)O[C@H]2C/C(COC(C)=O)=C\[C@H]3O[C@H]3/C(COC(=O)C(C)C)=C/C[C@H]12 ZINC000238765784 GE Annotated Mild C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)cc(OC)c6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)O ZINC000238766056 GE Annotated Anodyne C=CC[C@@]12C=C(O)[C@@H](O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000238766780 GE Annotated Mild C[C@@H]1CC[C@@]2(C(=O)O)[C@H](C(=O)O)C(=O)CC[C@@H]2[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238767087 GE Annotated Anodyne COC(=O)Cc1cc2c(c(O)c1C(=O)/C=C(/C)O)C(=O)c1c(O)cccc1C2=O ZINC000238767092 GE Annotated Mild CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@@H]3O[C@@H](C[C@@](C)(O)[C@H](O)CC[C@]3(C)O)[C@@H]21 ZINC000238767095 GE Annotated Anodyne C[C@H]1O[C@@]1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@]1(C)O ZINC000238767390 GE Annotated Reactive C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000238767554 GE Annotated Anodyne COc1ccc([C@H](O)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1OC ZINC000238767635 GE Annotated Anodyne C[C@@H]1CN2C[C@H]3CC[C@@H]4CC[C@@H](O)[C@@H]4[C@]45CCC(=O)OC[C@]34CC[C@H]1[C@@]25O ZINC000238767921 GE Annotated Anodyne C=C(C)C(=O)OCC1=C([C@@H](C)CCCO)[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2C1 ZINC000238768330 GE Annotated Mild COC(=O)C1=CO[C@H](C)[C@H]2C[N+]3([O-])CC[C@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]12 ZINC000238768389 GE Annotated Bother C/C=C/C=C/C=C/C1=C2C(=O)O[C@H](C)C[C@@H](O)C[C@@H](O)[C@@H]3C(=O)C=C[C@H](O1)[C@H]23 ZINC000238768851 GE Annotated Mild C=C1C(=O)O[C@H]2CC(=O)n3ccc(c32)COC(=O)[C@](C)(OC(C)=O)[C@@H](C)[C@@H]1C ZINC000238768992 GE Annotated Mild C=C1C(=O)C[C@H]2[C@H]3[C@@H]1[C@]2(COC(C)=O)C[C@@H](OC(C)=O)C[C@@]3(C)COC(C)=O ZINC000238769275 GE Annotated Mild CC(=O)O[C@H]1[C@@]2(C)C=C[C@@]13[C@@H](O)C[C@@H]1[C@@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]3CC2 ZINC000238769434 GE Annotated Anodyne CCCCCC(=O)O[C@H]1C[C@](C)(O)[C@@H]2CC[C@](C)(/C=C3\OC(=O)C(CO)=C31)O2 ZINC000238769441 GE Annotated Anodyne CCCCCC(=O)O[C@H]1C[C@](C)(O)[C@@H]2CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2 ZINC000238769460 GE Annotated Anodyne COC(=O)C[C@H](O)C[C@H](O)CC[C@@H]1c2ccc(C)cc2[C@H](OC)[C@@H](O)[C@@H]1C ZINC000238769497 GE Annotated Anodyne C=C1C(=O)C[C@H]2[C@H]3[C@@H]1[C@]2(COC(C)=O)C[C@H](OC(C)=O)C[C@@]3(C)COC(C)=O ZINC000238769631 GE Annotated Mild C=C1C(=O)O[C@H]2C/C(C=O)=C\C[C@H](OC(C)=O)/C(COC(=O)C(C)C)=C/C[C@H]12 ZINC000238770195 GE Annotated Reactive CC(=O)OCCCC[C@@H](C)[C@H](OC(=O)[C@H](C)OC(C)=O)[C@H](C)COC(C)=O ZINC000238770260 GE Annotated Anodyne C=C1[C@H](OC(C)=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@@H](O)[C@](C)(CO)[C@H]1C[C@@H]3O ZINC000238771232 GE Annotated Mild C=CC[C@]12C[C@@H](OC)[C@H](O)[C@](OC)([C@@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@@H]2O ZINC000238771488 GE Annotated Mild 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(OC)C[C@@]12O ZINC000238772036 GE Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000238772060 GE Annotated Mild CC[C@H](CO)[C@H]1[C@](C)(O)C(=O)[C@@H]2C[C@](C)(O)C[C@@H](C)[C@H]2[C@@]1(C)C(=O)/C=C\O ZINC000238772202 GE Annotated Mild COC1=C[C@]23CCN(C)[C@H](CCc4cc(OC)c(OC)c(OC)c42)C3=C[C@@H]1O ZINC000238772423 GE Annotated Anodyne COc1ccc(C2=CC(=O)c3c(O)cc(OC)c(OS(=O)(=O)O)c3C2)cc1 ZINC000238772598 GE Annotated Mild CN(C)CCc1cc2c(cc1C(=O)[C@H]1O[C@H](O)c3c1ccc1c3OCO1)OCO2 ZINC000238772672 GE Annotated Anodyne C=c1cc2c(o1)=C[C@H]1[C@@H]([C@@H](O)C[C@@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@]13C)[C@H]2C ZINC000238772886 GE Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@@]3(O[C@H]4OC(=O)[C@@H](C=C3CC(=O)OC)[C@]42C)[C@H]1C(=O)O ZINC000238773033 GE Annotated Mild C[C@@H]1[C@H](O)C[C@]23CC(=O)OC[C@@]1(C)[C@@]2(O)[C@@H](OC(=O)c1ccccc1)C[C@H]3C ZINC000238773234 GE Annotated Anodyne COc1cccc2c1N1C(=O)C=C3OCC=C4CN(C)CC[C@]25C(=O)C[C@@H]4[C@@H]3[C@H]15 ZINC000238773515 GE Annotated Anodyne CC[C@@H](C)C1=C2N=C3OC=CC=C[C@@]3(O)C(=O)N2[C@@H](Cc2ccccc2)C(=O)N1 ZINC000238773888 GE Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]2CC[C@]3(C)C=C[C@]12[C@H]3O ZINC000238773944 GE Annotated Anodyne Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(cc3cc(O)cc(O)c3c1O)C2=O ZINC000238774095 GE Annotated Clean CNCCc1c(OC)c2c(c3c1C(=O)C(=O)c1cc(OC)c(OC)cc1-3)OCO2 ZINC000238774138 GE Annotated Clean Cc1cc(O)c2c3c1[C@@H](O)C=C1C(C)(C)C(=O)c4c(O)cc(O)c(c4[C@@]13O)C2=O ZINC000238774283 GE Annotated Anodyne COC1=CC[C@@H]2C[C@H]3OC(=O)C=C4[C@@H](C)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000238774517 GE Annotated Mild COC(=O)[C@@H]1Cc2c(n(C)c3ccccc23)[C@H]2C[C@H]3C=CC(=O)OC[C@@H]3CN12 ZINC000238774765 GE Annotated Anodyne C[C@]12OC=C3CC[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 ZINC000238774800 GE Annotated Anodyne O=C(O)/C=C/C=C/c1cc(O)c2c(c1O)C(=O)C(=O)c1cc(O)c(C(=O)O)cc1-2 ZINC000238774886 GE Annotated Clean Cc1cc(O)cc2oc3c(c(=O)c12)[C@](C)(Cc1cc(O)cc(=O)o1)C[C@@H](O)C3 ZINC000238774889 GE Annotated Anodyne CCCC(=O)[C@H]1C(=O)[C@H](C[C@H]2C(=O)C=C(CCC)OC2=O)C(=O)C(C)(C)C1=O ZINC000238774955 GE Annotated Mild O=C1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@@H](O)O[C@@H](c3ccc4c(c3)OCO4)[C@H]12 ZINC000238775402 GE Annotated Anodyne COc1c(O)cc2c(c1OC)[C@]13CCN(C)[C@H](CC2)C1=C[C@@H](O)[C@@H](OC)C3 ZINC000238775978 GE Annotated Anodyne CC(=O)C[C@@H]1C(=O)[C@@](O)(CO)[C@@H]2CC[C@@](C)(C2)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000238776070 GE Annotated Anodyne C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@H](O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000238776394 GE Annotated Mild CCO[C@@H]1C=C2[C@H](O)CN3CCCc4cc(OC)c(OC)cc4[C@]23C[C@H]1OC ZINC000238777043 GE Annotated Anodyne CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC[C@@H]3[C@@](C)(O)C[C@H](OC(=O)C(C)C)[C@H]21 ZINC000238777153 GE Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@]1(C)[C@@H](OC(=O)O/C(C)=C\C)C[C@@H]3O[C@]3(C)[C@H]21 ZINC000238777209 GE Annotated Mild C=C(C(=O)OC)[C@@H]1[C@@H](OC(=O)[C@H](C)CC)C[C@@]2(C)[C@@H](O)CC=C(C)[C@@H]2[C@H]1O ZINC000238777597 GE Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@H](C)CC)C=C(C)[C@]1(O)C[C@@H](Cl)[C@](C)(O)[C@H]21 ZINC000238777719 GE Annotated Reactive C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC[C@@H](C(=O)O)[C@]21C ZINC000238777790 GE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC[C@@H](C(=O)O)[C@]21C ZINC000238777802 GE Annotated Anodyne CC[C@@]1(O)C[C@@H](O)c2cc3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000238777895 GE Annotated Clean C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@]2(CO)C(=O)OC ZINC000238778599 GE Annotated Anodyne COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3[C@@H](OC)OC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238778979 GE Annotated Anodyne C=C(C)C(=O)O[C@@]1(C)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(C)=O)[C@H]21 ZINC000238779013 GE Annotated Mild C=C1C(=O)O[C@H]2C[C@](C)(OO)C[C@@H](OC(C)=O)/C=C(/C)[C@@H](OC(C)=O)C[C@H]12 ZINC000238779648 GE Annotated Reactive C/C=C1/C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O ZINC000238779675 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C[C@@H](O)[C@@]52C)[C@]63O)CC[C@@H]41 ZINC000238780006 GE Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@](C)(O)CCl)=C/C[C@H]12 ZINC000238780148 GE Annotated Reactive COc1ccc2c3c1OC[C@@H](C)N3[C@@H]1C[C@@H]3OC(=O)C[C@@]34C=CCN3CC[C@@]21[C@H]34 ZINC000238780492 GE Annotated Anodyne CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H]1C ZINC000238780760 GE Annotated Anodyne C=C([C@H](O)/C=C/[C@@](C)(CO)OC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000238780916 GE Annotated Mild C=C[C@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000238780951 GE Annotated Mild CO[C@H]1OC[C@]2(O)[C@H](O)CC[C@H]3[C@](C)(CCC4=CC(=O)OC4)[C@@H](C)CC[C@@]132 ZINC000238781785 GE Annotated Anodyne C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@@H]52 ZINC000238782612 GE Annotated Bother COC(=O)[C@H](C)[C@H]1CC[C@@](C)(O)[C@H](O)CC/C(C)=C/CC[C@@](C)(O)[C@H](O)C1 ZINC000238782840 GE Annotated Anodyne COc1cc([C@@H]2c3cc(O)c(OC)c(OC)c3C[C@H](CO)[C@H]2CO)ccc1O ZINC000238783149 GE Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@]1(C)[C@@H](OC(=O)O/C(C)=C/C)C[C@@H]3O[C@]3(C)[C@H]21 ZINC000238783286 GE Annotated Mild C=C([C@H](O)[C@@H](O)/C=C(\C)COC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000238783520 GE Annotated Mild C=C(C)[C@@H]1C/C=C2/C(=O)O[C@@H](C[C@]3(C)CC(=O)[C@H](CC(=O)C1)O3)[C@@H]2OC(C)=O ZINC000238783539 GE Annotated Mild C/C=C1/CN(C)C[C@@]2(C(=O)OC)Cc3c(n(CO)c4ccccc34)C(=O)C[C@@H]12 ZINC000238783854 GE Annotated Anodyne CC(C)=CC[C@@H]1C(=O)N2c3ccccc3[C@H]1[C@@]21NC(=O)/C(=C\c2c[nH]cn2)N1 ZINC000238784447 GE Annotated Anodyne CC(=O)C[C@@H]1C(=O)[C@](O)(CO)[C@@H]2CC[C@@](C)(C2)[C@H]1/C=C/OC(=O)C=C(C)C ZINC000238784717 GE Annotated Anodyne C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@H]3c4[nH]c5ccc(O)cc5c4C[C@@H](C(=O)O)N3C[C@@H]12 ZINC000238784877 GE Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C)CC[C@@H](O)[C@](C)(COC(C)=O)[C@H]4C[C@@H](O)[C@]3(C2)[C@@H]1O ZINC000238784938 GE Annotated Mild COC(=O)c1c2ccoc3c-2c2c1[C@]1(O)C[C@H]4N(C[C@@H](CC3)[C@@]24C)C[C@@H](C)C1=O ZINC000238785177 GE Annotated Anodyne C/C=C1/CN2[C@@H](OC)C[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(C=O)C(=O)OC ZINC000238785616 GE Annotated Mild COC(=O)[C@@]12C[C@H]3C[C@@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000238785760 GE Annotated Anodyne COc1c(O)cc(C[C@H](O)C(C)(C)O)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000238786033 GE Annotated Mild COc1cc2c(c(O)c1OC)OC[C@H](c1cc(O)c(OC)c(OC)c1O)[C@H]2O ZINC000238786762 GE Annotated Anodyne C/C=C1/CN2[C@@H](OC)C[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000238786818 GE Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)OC[C@]32[C@@H](OC(C)=O)CCC(C)(C)[C@H]2C=O)[C@@H]1O ZINC000238787319 GE Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@](C)(O)CCl)=C/C[C@H]12 ZINC000238787410 GE Annotated Reactive C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@](C)(O)CCl)=C\C[C@H]12 ZINC000238787412 GE Annotated Reactive C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@](C)(O)CCl)=C\C[C@H]12 ZINC000238787414 GE Annotated Reactive O=C(O)/C=C\C=C/c1cc(O)c2c(c1O)C(=O)C(=O)c1cc(O)c(C(=O)O)cc1-2 ZINC000238787510 GE Annotated Clean O=C(O)/C=C\C=C\c1cc(O)c2c(c1O)C(=O)C(=O)c1cc(O)c(C(=O)O)cc1-2 ZINC000238787511 GE Annotated Clean O=C(O)/C=C/C=C\c1cc(O)c2c(c1O)C(=O)C(=O)c1cc(O)c(C(=O)O)cc1-2 ZINC000238787512 GE Annotated Clean O=C(O)CCC(=O)NCc1cc(O)c(O)c(Br)c1Br ZINC000238788111 GE Annotated Clean COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)cc(O)c1O ZINC000238788402 GE Annotated Clean C=C(C)C(=O)O[C@H]1C/C(C)=C\[C@]2(OC)C=C(C)[C@@H](O2)[C@H]2OC(=O)[C@@H](COC)[C@H]12 ZINC000238788481 GE Annotated Mild CC[C@H]1C[C@H]2C[C@]3(C(=O)OC)[C@@H]1N(CC[C@]31C(=O)Nc3ccccc31)[C@@H]2C#N ZINC000238788671 GE Annotated Mild C=C(C(=O)OC)[C@@H]1[C@@H](OC(=O)CC(C)C)C[C@@]2(C)[C@@H](O)CC=C(C)[C@@H]2[C@H]1O ZINC000238789023 GE Annotated Mild CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC000247815405 GE Annotated Anodyne CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000247815407 GE Annotated Anodyne CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000247815411 GE Annotated Anodyne CC(=O)N[C@H]1CCN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 ZINC000002500241 GE Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 ZINC000002500243 GE Annotated Anodyne CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCCCC3)c(C)c2c1=O ZINC000002500408 GE Annotated Anodyne O=C1N=C(O)C2(C(=O)N1)[C@@H](c1cccs1)NC(=O)N[C@@H]2c1cccs1 ZINC000002601913 GE Annotated Anodyne O=C1N=C(O)C2(C(=O)N1)[C@H](c1cccs1)NC(=O)N[C@H]2c1cccs1 ZINC000002601914 GE Annotated Anodyne C=CCn1c(=O)/c(=C\c2ccc(C)o2)s/c1=C(\C#N)C(=O)c1ccccc1 ZINC000002649958 GE Annotated Mild Cc1cc(C)n(-c2ccc(C(=O)OCn3nnc4ccccc4c3=O)cc2)n1 ZINC000002662257 GE Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@](C)(NC(=O)[C@@H]1S(=O)(=O)c1ccc(F)cc1)O2 ZINC000002715996 GE Annotated Anodyne O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 ZINC000002722166 GE Annotated Anodyne O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CCC(=O)N1C1CCCC1 ZINC000002860894 GE Annotated Anodyne CCOC(=O)c1sc2nc(CC(=O)OC)nc(NC[C@H]3CCCO3)c2c1C ZINC000002912238 GE Annotated Anodyne CCOC(=O)c1sc2nc(CC(=O)OC)nc(NC[C@@H]3CCCO3)c2c1C ZINC000002912239 GE Annotated Anodyne Cc1c(C(=O)NC(C)C)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 ZINC000002922632 GE Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1c[nH]c2ccccc12 ZINC000002931077 GE Annotated Anodyne COC(=O)Cn1c(SC/C(O)=N/c2nccs2)nc2ccsc2c1=O ZINC000002932288 GE Annotated Mild CCOC(=O)C1CCN(C(=O)CN2C(=O)[C@H](CC)Oc3ccc(C)cc32)CC1 ZINC000002934157 GE Annotated Anodyne CCOC(=O)C1CCN(C(=O)CN2C(=O)[C@@H](CC)Oc3ccc(C)cc32)CC1 ZINC000002934160 GE Annotated Anodyne Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCCN3CCCC[C@H]3C)n12 ZINC000002947695 GE Annotated Anodyne Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCCN3CCCC[C@@H]3C)n12 ZINC000002947698 GE Annotated Anodyne CCN(CC)CCCNC(=O)[C@@H](C)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000002947836 GE Annotated Anodyne CCN(CC)CCCNC(=O)[C@H](C)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000002947837 GE Annotated Anodyne O=C(c1ccc2nc3ccc(Cl)cc3c(=O)n2c1)N1CCC2(CC1)OCCO2 ZINC000002965685 GE Annotated Bother CCN1CCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccc(C)cc3)o2)CC1 ZINC000002966685 GE Annotated Anodyne CCOc1ccccc1N1CCN(c2nc(N)c(C#N)c(CC#N)c2C#N)CC1 ZINC000025355167 GE Annotated Mild aggregator O=C(NCc1cccs1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250076108 GE Annotated Anodyne O=C(NCc1cccs1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250076113 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250099476 GE Annotated Anodyne COc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000250401404 GE Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250644031 GE Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250644032 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000250644863 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000250644864 GE Annotated Anodyne O=C(NCCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250826334 GE Annotated Anodyne Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1F ZINC000251154578 GE Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@H]4C2=O)cc1 ZINC000251489439 GE Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@H]1C(=O)NCc1ccco1)O2 ZINC000253485470 GE Annotated Anodyne CN(C)CCSc1ccc(C=c2nc(O)c(=Cc3ccccc3)nc2O)s1 ZINC000253634477 GE Annotated Anodyne CO[C@H](C)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000253635016 GE Annotated Anodyne CO[C@H](C)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000253635021 GE Annotated Anodyne COc1cc(C=c2nc(O)c(=Cc3c[nH]c4ccccc34)nc2O)cc(OC)c1 ZINC000253637326 GE Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000253640205 GE Annotated Bother CC(=O)Oc1ccccc1C(=O)O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@]1(OCCCN12)[C@H]53 ZINC000253652139 GE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@H]1[C@H]5[C@@H]4[C@H]12 ZINC000253652147 GE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@]41OCCCN12 ZINC000253652158 GE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@@H]1[C@H]5[C@@H]4[C@H]12 ZINC000253652165 GE Annotated Anodyne CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)c1C ZINC000253654827 GE Annotated Anodyne CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@H]2C[C@H]3CC[C@H]2C3)c1C ZINC000253654832 GE Annotated Anodyne O=C(CCc1ccccc1)N[C@@H]1CC[C@@](O)(c2cnc3[nH]c(=O)oc3c2)CC1 ZINC000253660843 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccccc1Br ZINC000253684692 GE Annotated Anodyne C[C@@H]1CN(CCn2cnnn2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1F ZINC000253782622 GE Annotated Anodyne C[C@@H](c1ccc(-n2cncn2)cc1)N1C[C@H](N)[C@H](C(=O)[C@H]2CCC[C@H]2C#N)C1 ZINC000253868790 GE Annotated Mild COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000253915798 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000253915801 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000253915802 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C[C@@H]5CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000253915806 GE Annotated Anodyne O=C(Cc1ccccc1)NS(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 ZINC000253918623 GE Annotated Clean Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@H]4CCCC[C@@H]4C)C3)sc2n1 ZINC000253988980 GE Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@H]4CCCC[C@H]4C)C3)sc2n1 ZINC000253988990 GE Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@@H]4CCCC[C@H]4C)C3)sc2n1 ZINC000253988992 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 ZINC000254010298 GE Annotated Anodyne C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=Cc1ccc([N+](=O)[O-])o1 ZINC000254011951 GE Annotated Reactive C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=Cc1ccc([N+](=O)[O-])o1 ZINC000254011954 GE Annotated Reactive COc1ccc(CN2CCN(CC=C(C)C)[C@H](CCO)C2)cc1Cn1cncn1 ZINC000254012098 GE Annotated Anodyne CC(=NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC000254046263 GE Annotated Mild COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000254111183 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000254111185 GE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN4C=C5CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000254111187 GE Annotated Anodyne COC(=O)[C@]1(N2CCOCC2)CC[C@H]([C@@H](c2ccccc2)[C@H](C)[N+](=O)[O-])C1 ZINC000254113571 GE Annotated Bother COC(=O)[C@]1(N2CCOCC2)CC[C@@H]([C@@H](c2ccccc2)[C@H](C)[N+](=O)[O-])C1 ZINC000254113572 GE Annotated Bother CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COC(=O)c1ccc(C#N)cc1 ZINC000254114681 GE Annotated Mild O=C(Nc1cncc(O)c1)[C@@H]1CC[C@@H](N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)CC1 ZINC000254130816 GE Annotated Anodyne COC(=N)[C@]1(C#N)N[C@H](c2ccsc2)C(C#N)(C#N)N[C@@H]1c1ccsc1 ZINC000254201716 GE Annotated Mild COC(=N)[C@]1(C#N)N[C@H](c2ccsc2)C(C#N)(C#N)N[C@H]1c1ccsc1 ZINC000254201717 GE Annotated Mild CO[C@@H]1O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H]2OC(C)(C)O[C@@H]12 ZINC000254209869 GE Annotated Anodyne CO[C@@H]1O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@H]21 ZINC000254209870 GE Annotated Anodyne CO[C@@H]1O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]2OC(C)(C)O[C@@H]21 ZINC000254209871 GE Annotated Anodyne COc1cc([C@@H]2C(=O)[C@@H](Cl)N2Nc2nc(C)cc(O)n2)cc(OC)c1OC ZINC000254224052 GE Annotated Reactive CC(=O)c1ccc(N2C(=NC(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254291506 GE Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254291509 GE Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254291512 GE Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254291514 GE Annotated Mild COc1cccc2sc(=NC(=O)CS(=O)(=O)c3ccccc3)n(C)c12 ZINC000254295672 GE Annotated Anodyne C=CCN1C(=O)C[C@@H](C(=O)NC)SC1=Nc1ccc(C(=O)OCC)cc1 ZINC000254343081 GE Annotated Mild C=CCN1C(=O)C[C@H](C(=O)NC)SC1=Nc1ccc(C(=O)OCC)cc1 ZINC000254343085 GE Annotated Mild CC(C)CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 ZINC000254419299 GE Annotated Mild Cn1c(=NC(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21 ZINC000254441682 GE Annotated Bother CC(C)CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 ZINC000254462218 GE Annotated Mild CC(C)CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 ZINC000254462227 GE Annotated Mild CC(C)CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 ZINC000254462230 GE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1)C1CC1 ZINC000254484591 GE Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1)C1CC1 ZINC000254484592 GE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1)C1CC1 ZINC000254484593 GE Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1)C1CC1 ZINC000254484594 GE Annotated Mild COc1cccc(C(=O)N=c2sc3cc(S(C)(=O)=O)ccc3n2C)c1 ZINC000254507970 GE Annotated Anodyne CC(C)(C)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 ZINC000254597967 GE Annotated Mild CC(C)(C)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 ZINC000254597970 GE Annotated Mild CC(C)(C)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 ZINC000254597973 GE Annotated Mild CC(C)(C)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 ZINC000254597974 GE Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)C1CC1 ZINC000254617236 GE Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)C1CC1 ZINC000254617237 GE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)C1CC1 ZINC000254617238 GE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)C1CC1 ZINC000254617239 GE Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl)C1CC1 ZINC000254734446 GE Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl)C1CC1 ZINC000254734447 GE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl)C1CC1 ZINC000254734448 GE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl)C1CC1 ZINC000254734449 GE Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254748499 GE Annotated Mild COc1cccc2sc(=NC(=O)CS(=O)(=O)c3ccc(F)cc3)n(C)c12 ZINC000254756877 GE Annotated Anodyne COc1ccc2c(c1)sc(=NC(=O)CS(=O)(=O)c1ccc(F)cc1)n2C ZINC000254815334 GE Annotated Anodyne CC(=O)c1cccc(N2C(=NC(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254877493 GE Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254877495 GE Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254877496 GE Annotated Mild CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)=O)cc1 ZINC000254912186 GE Annotated Mild CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)=O)cc1 ZINC000254912188 GE Annotated Mild CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)=O)cc1 ZINC000254912192 GE Annotated Mild CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)=O)cc1 ZINC000254912196 GE Annotated Mild C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CN(C)C)OCO3 ZINC000025987489 GE Annotated Anodyne C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CN(C)C)OCO3 ZINC000025987497 GE Annotated Anodyne CC[C@@H]1[C@H](O)[C@@H]2[C@@H](C)C(=O)O[C@@]23C[C@H]([C@H]2C[C@@H](C)C(=O)O2)N2CCCC[C@@H]1[C@H]23 ZINC000255209743 GE 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[C@@H]32)[C@@H]14 ZINC000255211554 GE Annotated Anodyne CC[C@@H]1C[N@+]2([O-])CC[C@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@@H]42 ZINC000255211858 GE Annotated Bother CO[C@H]1[CH][C@@H]2[CH]N3CC[C@H]4[CH][C@@H](OC)[C@@H](OC)[CH][C@H]4[C@@H]3[C@H](C)[C@@H]2[CH][C@@H]1OC ZINC000255222748 GE 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](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000255256254 GE Annotated Mild CC[C@@H]1[C@H]2OC(=O)[C@@](C)(O)[C@H]2[C@@H]2CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@H]3[C@@H]12 ZINC000255259508 GE Annotated Anodyne CC[C@@H]1[C@H]2OC(=O)[C@](C)(O)[C@H]2[C@@H]2CCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@H]3[C@@H]12 ZINC000255259509 GE Annotated Anodyne C=C1[C@H]2CC[C@]3([C@H]([C@H]2O)[C@]24[C@@H](O)CCC(C)(C)[C@H]2C[C@H]3[C@H]4N(C)CC)[C@@H]1O ZINC000255264832 GE Annotated Mild COC(=O)[C@H]1C[C@@]23[C@@H]4[C@H]5CC[C@]2(CO)[C@@H](CC[C@H]2CC[C@@H]1[C@]23O)CN4C[C@@H]5C ZINC000255277295 GE Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](OC)C[C@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000255282299 GE Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](OC)C[C@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@@H]([C@@]2(C)C1=O)[C@]43C ZINC000255282300 GE Annotated Mild C[C@@H]1CC2=C(C[C@@H]3[C@](C)(CC[C@]4(O)C(C)(C)[C@@H]5O[C@H]5C(=O)[C@]34C)O2)C(=O)O1 ZINC000257371335 GE Annotated Anodyne C[C@@H]1CC2=C(C[C@@H]3[C@](C)(CC[C@]4(O)C(C)(C)[C@@H]5O[C@H]5C(=O)[C@@]34C)O2)C(=O)O1 ZINC000257371336 GE Annotated Anodyne C[C@@H]1CC2=C(C[C@@H]3[C@](C)(CC[C@]4(O)C(C)(C)[C@@H]5O[C@@H]5C(=O)[C@]34C)O2)C(=O)O1 ZINC000257371337 GE Annotated Anodyne C[C@@H]1CC2=C(C[C@@H]3[C@](C)(CC[C@]4(O)C(C)(C)[C@@H]5O[C@@H]5C(=O)[C@@]34C)O2)C(=O)O1 ZINC000257371338 GE Annotated Anodyne CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@H](C)[C@H]2[C@@H]1O ZINC000257379554 GE Annotated Anodyne CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@H](C)[C@@H]2[C@H]1O ZINC000257379555 GE Annotated Anodyne CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@H](C)[C@@H]2[C@@H]1O ZINC000257379556 GE Annotated Anodyne CC[C@@H]1C2=C3N(CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@H](C)[C@H]2[C@H]1O ZINC000257379557 GE Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257381000 GE Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257381001 GE Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257381002 GE Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257381003 GE Annotated Mild C[C@@H]1CC[C@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@@]12C)[C@H]3O ZINC000257389515 GE Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@]21C)[C@@H]3O ZINC000257389516 GE Annotated Anodyne C[C@@H]1CC[C@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@@]12C)[C@@H]3O ZINC000257389517 GE Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@]21C)[C@H]3O ZINC000257389518 GE Annotated Anodyne COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4[C@H](C)[C@H](OC)[C@H](O)[C@H]([C@]2(C)C1=O)[C@]34C ZINC000257403279 GE Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4[C@H](C)[C@H](OC)[C@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000257403280 GE Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4[C@H](C)[C@H](OC)[C@H](O)[C@@H]([C@@]34C)[C@]2(C)C1=O ZINC000257403281 GE Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4[C@H](C)[C@H](OC)[C@H](O)[C@H]([C@@]2(C)C1=O)[C@]34C ZINC000257403282 GE Annotated Mild COC1=C(C)[C@@H]2CC(=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 ZINC000257424089 GE Annotated Mild CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](O)[C@]21CO1 ZINC000257621087 GE Annotated Anodyne CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](O)[C@]21CO1 ZINC000257621088 GE 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)[C@H]2CC[C@H]1[C@@H](OC)O2 ZINC000257657037 GE 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)[C@H]2CC[C@H]1[C@H](OC)O2 ZINC000257657038 GE 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)[C@H]2CC[C@H]1[C@H](OC)O2 ZINC000257657039 GE Annotated Anodyne C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@@]1(C)[C@H]2CC[C@@H](O[C@@H]2OC)[C@@H]1C ZINC000257657040 GE Annotated Anodyne C=C1CC[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)=CC2=O ZINC000257772045 GE Annotated Mild C=C1CC[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)=CC2=O ZINC000257772046 GE Annotated Mild C=C1CC[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)=CC2=O ZINC000257772047 GE Annotated Mild C=C1CC[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)=CC2=O ZINC000257772048 GE Annotated Mild CCOc1ccc(F)c2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000026144589 GE Annotated Mild CN(C)c1ncnc2c1nc(Br)n2Cc1cccc(NC(N)=O)c1 ZINC000026145983 GE Annotated Anodyne COc1ccc([C@@H]2[C@@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026170035 GE Annotated Anodyne COc1ccc([C@@H]2[C@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026170038 GE Annotated Anodyne COc1ccc([C@H]2[C@@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026170043 GE Annotated Anodyne COc1ccc([C@H]2[C@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026170047 GE Annotated Anodyne CO[P@@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl ZINC000026171252 GE Annotated Reactive CO[P@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl ZINC000026171257 GE Annotated Reactive CCCN1CCN(c2nc3ccc(N)cc3nc2N2CCN(CCC)CC2)CC1 ZINC000026178780 GE Annotated Anodyne CC(C)(C(=O)/C=C/c1ccc(C(=N)N)cc1)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026183832 GE Annotated Mild CCn1c2cc(N3CCN(C)CC3)c(N)cc2c(=O)c2c(O)cc(OC)cc21 ZINC000026189783 GE Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cnc(N)nc3)c(F)c2)C(=O)O1 ZINC000026189827 GE Annotated Anodyne CN(NS(=O)(=O)/C=C/c1ccccc1)S(=O)(=O)/C=C/c1ccccc1 ZINC000026190002 GE Annotated Anodyne CN(NS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000026247759 GE Annotated Anodyne CCn1c2cc(N3C[C@H](C)N[C@H](C)C3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026249497 GE Annotated Bother CCn1c2cc(N3C[C@H](C)N[C@@H](C)C3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026249503 GE Annotated Bother CCn1c2cc(N3C[C@@H](C)N[C@H](C)C3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026249510 GE Annotated Bother CC(C)(C(=O)N1CCC(CC(=O)O)CC1)[C@@H](O)/C=C/c1ccc(C(=N)N)cc1 ZINC000026250900 GE Annotated Anodyne CC(C)(C(=O)N1CCC(CC(=O)O)CC1)[C@H](O)/C=C/c1ccc(C(=N)N)cc1 ZINC000026250906 GE Annotated Anodyne C[C@@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O ZINC000026259017 GE Annotated Clean C[C@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O ZINC000026259024 GE Annotated Clean C[C@@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O ZINC000026259030 GE Annotated Clean C[C@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O ZINC000026259036 GE Annotated Clean CN(NS(=O)(=O)/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000026263079 GE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3ccc4ccccc4c3)S[C@H]12 ZINC000026274981 GE Annotated Anodyne CCOC(=O)c1cc(NC2=CC3=NCCc4cn(C)c(c43)C2=O)cn1COC ZINC000026277033 GE Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=CC=O)CC3)c(F)c2)C(=O)O1 ZINC000026291566 GE Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C/C=N/O)CC3)c(F)c2)C(=O)O1 ZINC000026292505 GE Annotated Mild CS(=O)(=O)Nc1cc(C(=O)CC[C@H]2C(=O)C3CCN2CC3)ccc1Cl ZINC000026377589 GE Annotated Anodyne CS(=O)(=O)Nc1cc(C(=O)CC[C@@H]2C(=O)C3CCN2CC3)ccc1Cl ZINC000026377591 GE Annotated Anodyne O=S(=O)(/N=C(/NO)Nc1ccc(Cl)cc1)c1cccc2snnc12 ZINC000026379037 GE Annotated Mild Cc1ccc(S(=O)(=O)OCCN[P@@]2(=O)OCCCN2CCCl)cc1 ZINC000026387678 GE Annotated Reactive Cc1ccc(S(=O)(=O)OCCN[P@]2(=O)OCCCN2CCCl)cc1 ZINC000026387682 GE Annotated Reactive CCSC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3ccccc3)C[C@H]2S1 ZINC000026390336 GE Annotated Anodyne CCSC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3ccccc3)C[C@@H]2S1 ZINC000026390340 GE Annotated Anodyne CCSC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)C[C@H]2S1 ZINC000026390344 GE Annotated Anodyne CCSC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)C[C@@H]2S1 ZINC000026390346 GE Annotated Anodyne Cn1cc2c(=O)c(OCC(N)=O)ccc-2c2ccc3cc4c(cc3c21)OCO4 ZINC000026396509 GE Annotated Anodyne CN(C)CCNc1ccc(N(C)CCN(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000026396777 GE Annotated Clean Cc1c2ccnc(C(=O)NCCNCCO)c2cc2c3cc(O)ccc3n(C)c12 ZINC000026488602 GE Annotated Bother COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4c(cc3[C@H]1N(CC#N)C2=O)OCO4 ZINC000026498858 GE Annotated Mild C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NCC3(O)CC3)c2cn1)c1ccccc1 ZINC000261072035 GE Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@H](CSc4cccc(Cl)c4)[C@@H](O)C3)c[nH]c21 ZINC000261072682 GE Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@@H](O)[C@H](CSc4cccc(Cl)c4)C3)c[nH]c21 ZINC000261072686 GE Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4cccc(Cl)c4)C3)c[nH]c21 ZINC000261072688 GE Annotated Anodyne CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@H]4C)C3)cc2)CC1 ZINC000261077284 GE Annotated Anodyne COc1ccc(CCn2c3nc(=O)nc(O)c-3nc3ccccc32)cc1OC ZINC000261079154 GE Annotated Bother CC(C)(C)c1nccc(-c2cnc(NC(=O)N3C[C@@H]4C[C@H]4[C@H]3C(N)=O)s2)n1 ZINC000261091037 GE Annotated Anodyne CC(C)(C)c1nccc(-c2cnc(NC(=O)N3C[C@@H]4C[C@@H]4[C@H]3C(N)=O)s2)n1 ZINC000261091038 GE Annotated Anodyne COc1cc2nc(=S)n(CCN3CCOCC3)c(O)c2cc1-c1cnco1 ZINC000261126899 GE Annotated Anodyne CON=C(C(=O)NC[P@@](=O)(O)Oc1ccc(C#N)c(F)c1)c1cccs1 ZINC000261153879 GE Annotated Mild CN1CCO[C@@H](CNC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)C1 ZINC000261174795 GE Annotated Anodyne CN1CCO[C@H](CNC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)C1 ZINC000261174797 GE Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@@H](O)[C@H](CSc4ccc(Cl)cc4)C3)c[nH]c21 ZINC000261186330 GE Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4ccc(Cl)cc4)C3)c[nH]c21 ZINC000261186331 GE Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(CO)on3)c2cn1)c1ccccn1 ZINC000261188887 GE Annotated Anodyne CO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 ZINC000261190819 GE Annotated Anodyne CO[C@@H]1CN(C)C[C@H]1NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 ZINC000261190820 GE Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c1 ZINC000263590383 GE Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c1 ZINC000263590384 GE Annotated Anodyne O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NC1CCCCCC1 ZINC000263590452 GE Annotated Bother O=C(NCc1ccccc1F)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590628 GE Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590629 GE Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000263590630 GE Annotated Anodyne O=C(NCc1cccs1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000263590773 GE Annotated Anodyne O=C(NCc1cccs1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590774 GE Annotated Anodyne O=C(NCc1cccs1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590775 GE Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@H]1c1ccccc1 ZINC000263591584 GE Annotated Anodyne COCCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]2N1C ZINC000263591839 GE Annotated Anodyne COCCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]2N1C ZINC000263591840 GE Annotated Anodyne COCCN=c1scc(-c2ccco2)n1N/C=C1\C=CC(=O)C(O)=C1O ZINC000263591961 GE Annotated Mild Cc1ccc(N=c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc1F ZINC000263591969 GE Annotated Bother CCc1cccc(N=c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)c1 ZINC000263591982 GE Annotated Bother COc1ccc(CCN=c2c([N+](=O)[O-])nn(-c3cccc(C)c3)n2O)cc1OC ZINC000263591990 GE Annotated Bother Cc1cc(C)cc(N=c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)c1 ZINC000263591991 GE Annotated Bother CCc1ccc(N=c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc1 ZINC000263592021 GE Annotated Bother O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCCC1=CCCCC1 ZINC000263592033 GE Annotated Bother O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=Nc1ccc(Cl)cc1 ZINC000263592190 GE Annotated Bother COc1cc([C@H]2C(=O)[C@@H](Cl)N2Nc2nc(C)cc(O)n2)cc(OC)c1OC ZINC000263602489 GE Annotated Reactive C[C@@H]1C[C@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@]12CC[C@]1(CCOC1=O)O2 ZINC000263608182 GE Annotated Anodyne C[C@@H]1C[C@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@]1(CCOC1=O)O2 ZINC000263608183 GE Annotated Anodyne C[C@@H]1C[C@](C)(O)[C@@H]2[C@@]3(C)CCC[C@@]2(COC3=O)[C@]12CC[C@@]1(CCOC1=O)O2 ZINC000263608184 GE Annotated Anodyne COc1c2c(cc3c1[C@@]1(O)Cc4ccc5c(c4C[N@@+]1(C)CC3)OCO5)OCO2 ZINC000263608447 GE Annotated Bother COc1c2c(cc3c1[C@]1(O)Cc4ccc5c(c4C[N@@+]1(C)CC3)OCO5)OCO2 ZINC000263608448 GE Annotated Bother COc1c2c(cc3c1[C@@]1(O)Cc4ccc5c(c4C[N@+]1(C)CC3)OCO5)OCO2 ZINC000263608449 GE Annotated Bother COc1c2c(cc3c1[C@]1(O)Cc4ccc5c(c4C[N@+]1(C)CC3)OCO5)OCO2 ZINC000263608450 GE Annotated Bother CN(C)[C@@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@H]3CC[C@]12C)[C@@H]45 ZINC000263614535 GE Annotated Anodyne in-vitro CN(C)[C@@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@H]3CC[C@@]12C)[C@@H]45 ZINC000263614536 GE Annotated Anodyne in-vitro CN(C)[C@@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@@H]3CC[C@]12C)[C@@H]45 ZINC000263614537 GE Annotated Anodyne in-vitro CC(C)(C)c1ccc(Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O)cc1 ZINC000263620280 GE Annotated Reactive O=C(N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2)c1sc(OCCO)nc1C1CC1 ZINC000263620794 GE Annotated Anodyne in-vitro O=C(N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2)c1sc(OCCO)nc1C1CC1 ZINC000263620795 GE Annotated Anodyne in-vitro Cc1c(-c2ccnc(N=C3C=CC(N4CCNCC4)=CC3)n2)sc(=O)n1C ZINC000263621046 GE Annotated Mild in-vitro CC1=C(C(=O)O[C@@]23OC[C@]4(C)[C@@]2(C)C(=O)C[C@]2([C@H](C)CC[C@]24O)[C@H]3O)CCC1 ZINC000263638167 GE Annotated Anodyne CC1=C(C(=O)O[C@@]23OC[C@]4(C)[C@@]2(C)C(=O)C[C@@]2([C@@H]3O)[C@H](C)CC[C@]24O)CCC1 ZINC000263638168 GE Annotated Anodyne CC1=C(C(=O)O[C@@]23OC[C@]4(C)[C@@]2(C)C(=O)C[C@]2([C@@H](C)CC[C@]24O)[C@H]3O)CCC1 ZINC000263638169 GE Annotated Anodyne CC1=C(C(=O)O[C@@]23OC[C@]4(C)[C@@]2(C)C(=O)C[C@]2([C@@H](C)CC[C@]24O)[C@@H]3O)CCC1 ZINC000263638170 GE Annotated Anodyne CC(=O)O[C@H]1CCCN2[C@H]1CC(=O)[C@@H](n1cnc3ccccc3c1=O)C2(C)C ZINC000026574331 GE Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@](O)(CO)[C@@H]2CCC1=CCOC1=O ZINC000026577545 GE Annotated Anodyne CCNCCCNCCCNCCCNCC1CCC(Br)CC1 ZINC000026577732 GE Annotated Reactive O=C(Nc1cccc(Cl)c1)Nn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21 ZINC000026578712 GE Annotated Bother CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccsc1C2=O ZINC000026579915 GE Annotated Clean CCCC(=O)NC(CCC(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC ZINC000026661444 GE Annotated Anodyne COc1ccc2c(=O)c3c(O)c(OC)c(OC)c(OC)c3n(C)c2c1OC ZINC000026663657 GE Annotated Bother Cc1c(O)c2[nH]c(CCCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O ZINC000026671533 GE Annotated Anodyne CCCc1c(O)c2[nH]c(CN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O ZINC000026673461 GE Annotated Anodyne CCCc1c(O)c2[nH]c(CCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O ZINC000026673464 GE Annotated Anodyne CCCc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O ZINC000026673548 GE Annotated Anodyne CCOC(=O)CCn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc21 ZINC000026723634 GE Annotated Anodyne CS(=O)(=O)c1cc2[nH]c(=O)c(=O)n(C3CCCCC3)c2cc1-n1cccc1 ZINC000026724657 GE Annotated Anodyne C[C@@H]1CN(CCn2cnnn2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1 ZINC000026730039 GE Annotated Anodyne C[C@H]1CN(CCn2cnnn2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1 ZINC000026730044 GE Annotated Anodyne O=[N+]([O-])N[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 ZINC000026733376 GE Annotated Bother CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCCc3ccccc3N)n2)o1 ZINC000026733774 GE Annotated Mild C[C@@H]1CN(CCn2cnnn2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1F ZINC000026733782 GE Annotated Anodyne C[C@H]1CN(CCn2cnnn2)CC[C@@H]1N(C(=O)c1ccco1)c1ccccc1F ZINC000026733785 GE Annotated Anodyne CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCc3ccccc3O)n2)o1 ZINC000026735349 GE Annotated Mild CC(=O)N[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 ZINC000026738020 GE Annotated Bother CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCCc3ccncc3)n2)o1 ZINC000026741932 GE Annotated Mild Cc1c(F)c(N2C[C@H]3C[C@@H]2[C@H](C)N3)nc2c1c(=O)c(C(=O)O)cn2C(C)(C)C ZINC000026742992 GE Annotated Anodyne COc1cccc2c1[C@H](O)[C@]1(O)CC(=O)C(C)=C(C[C@@H]2OCCO)C1(C)C ZINC000026748326 GE Annotated Mild CN(CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CCCCC1 ZINC000026752839 GE Annotated Anodyne COCC[C@@H]1CN(C(=O)c2cccc3ccccc23)CCN1C[C@H](N)CS ZINC000026817865 GE Annotated Mild CC/N=C(\NCC)N/N=C/c1ccc(OCc2n(C)c3ccccc3[n+]2C)cc1 ZINC000026828366 GE Annotated Mild CC/N=C(\NCC)N/N=C/c1ccc(OCc2cn3ccccc3[n+]2C)cc1 ZINC000026829180 GE Annotated Mild Cc1ccc2n(c1)cc(-c1ccc(/C=N/N=C(\N)N3CCSC3)cc1)[n+]2C ZINC000026832047 GE Annotated Mild CCSc1ccc2n(c1)cc(-c1ccc(/C=N/NC3=NCCN3)cc1)[n+]2C ZINC000026832697 GE Annotated Mild C[n+]1c(-c2ccc(/C=N/NC3=NCCN3)cc2)c(Br)n2ccccc21 ZINC000026834362 GE Annotated Mild Cc1c(N2CC[C@@H](N)C2)c(F)cn2c(=O)c(/C(O)=C/[N+](=O)[O-])cc(C3CC3)c12 ZINC000026837151 GE Annotated Anodyne Cc1c(N2CC[C@H](N)C2)c(F)cn2c(=O)c(/C(O)=C/[N+](=O)[O-])cc(C3CC3)c12 ZINC000026837154 GE Annotated Anodyne O=c1nc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)cc[nH]1 ZINC000026840332 GE Annotated Anodyne Nc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)ncn1 ZINC000026843585 GE Annotated Anodyne COc1cc(CC2=C(O)[C@@](C)(C(=O)NC(C)(C)C)OC2=O)cc(OC)c1OC ZINC000026845805 GE Annotated Anodyne COc1cc(CC2=C(O)[C@](C)(C(=O)NC(C)(C)C)OC2=O)cc(OC)c1OC ZINC000026845812 GE Annotated Anodyne CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(CCCl)CCCl ZINC000026966380 GE Annotated Reactive Cc1cccc(Nc2ccncc2S(=O)(=O)N/C(=C/[N+](=O)[O-])NC(C)C)c1 ZINC000026967063 GE Annotated Anodyne O=C(c1cc(N(CCCl)CCCl)ccc1[N+](=O)[O-])N1CCOCC1 ZINC000026968479 GE Annotated Reactive N[C@@H]1CCN(c2nc3[nH]cc(CNCCCc4ccccc4)c(=O)c3cc2F)C1 ZINC000026984919 GE Annotated Anodyne N[C@H]1CCN(c2nc3[nH]cc(CNCCCc4ccccc4)c(=O)c3cc2F)C1 ZINC000026984926 GE Annotated Anodyne COC(=O)CS[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000026991603 GE Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCN(C)C)CC(=O)O1 ZINC000026997424 GE Annotated Anodyne CC(C)CCN(C)C(=O)c1cnc2nc(N3CC[C@@H](N)C3)c(F)cc2c1O ZINC000026998349 GE Annotated Anodyne CC(C)CCN(C)C(=O)c1cnc2nc(N3CC[C@H](N)C3)c(F)cc2c1O ZINC000026998355 GE Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCC(=O)O)C[C@H]2[C@H](O)/C=C/C(=O)O1 ZINC000027074747 GE Annotated Anodyne C[C@H]1C(=O)N(c2cccc(Cl)c2)CCN1CCCn1nc2ccccn2c1=O ZINC000027091081 GE Annotated Anodyne C[C@@H]1C(=O)N(c2cccc(Cl)c2)CCN1CCCn1nc2ccccn2c1=O ZINC000027091089 GE Annotated Anodyne CS(=O)(=O)N(CC#CC1(O)CCCCC1)CCCc1ccc(C(=O)O)cc1 ZINC000027091290 GE Annotated Mild NC(=O)[C@@H](Cc1ccc(OCCOc2ccc3c(c2)NCCC3)cc1)C(=O)O ZINC000027108623 GE Annotated Anodyne NC(=O)[C@H](Cc1ccc(OCCOc2ccc3c(c2)NCCC3)cc1)C(=O)O ZINC000027108626 GE Annotated Anodyne CN(CCN(C)c1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000027110036 GE Annotated Anodyne Cc1cc(COC(=O)NC(C)C)cc(C)c1OC(=O)CCOCCOCCO ZINC000027188484 GE Annotated Anodyne CCCN(Cc1cccnc1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1 ZINC000027201531 GE Annotated Mild CCCN(Cc1ccccn1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1 ZINC000027202307 GE Annotated Mild CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)cc1 ZINC000027210045 GE Annotated Mild COc1ccc(NC(=O)C(C)(C)c2cc(C(=O)NCCN(C)C)ccc2N)cc1 ZINC000027210359 GE Annotated Anodyne CS(=O)(=O)N1CCOc2ccc(C3=NN(c4ccccc4)C(=O)CC3)cc21 ZINC000027215817 GE Annotated Anodyne CCCCCN1N=C(c2ccc3c(c2)N(S(C)(=O)=O)CCO3)CCC1=O ZINC000027298997 GE Annotated Anodyne O=P(NCCCl)(NCCCl)OCCS(=O)(=O)c1ccccc1 ZINC000027300142 GE Annotated Reactive CC(=O)S[C@H](C(=O)c1cccc(F)c1)[C@H](C)C(=O)N1CCC[C@H]1C(=O)O ZINC000027305050 GE Annotated Anodyne CC(=O)S[C@@H](C(=O)c1cccc(F)c1)[C@H](C)C(=O)N1CCC[C@H]1C(=O)O ZINC000027307199 GE Annotated Anodyne CC(=O)S[C@H](C(=O)c1cccc(F)c1)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O ZINC000027309370 GE Annotated Anodyne CCOC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027311328 GE Annotated Anodyne CCOC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027311583 GE Annotated Anodyne COC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027313658 GE Annotated Anodyne CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc2c(c1)CCC2 ZINC000027314503 GE Annotated Anodyne CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc2c(c1)CCC2 ZINC000027314510 GE Annotated Anodyne CC(=O)S[C@@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc2c(c1)CCC2 ZINC000027314516 GE Annotated Anodyne CC(=O)S[C@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc2c(c1)CCC2 ZINC000027314523 GE Annotated Anodyne Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2cccc(C)c2)c1 ZINC000027315199 GE Annotated Mild CC(=O)S[C@@H](C(=O)c1cccc(F)c1)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O ZINC000027315265 GE Annotated Anodyne NCCc1nnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2 ZINC000027315622 GE Annotated Anodyne CC(C)C(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027316941 GE Annotated Anodyne CCCC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027324541 GE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCN(C(=O)NC(C)C)C3)C(=O)O1 ZINC000027409274 GE Annotated Anodyne CNCc1nnc(-c2ccc(N3C[C@H](CNC(C)=S)OC3=O)cc2F)s1 ZINC000027410391 GE Annotated Anodyne COc1ccc(/C(=N\O)c2cccc(NS(=O)(=O)N(C)C)c2)cc1OC ZINC000027419597 GE Annotated Mild COc1ccc(/C(=N\O)c2cccc(NS(=O)(=O)N(C)C)c2)c(OC)c1 ZINC000027420389 GE Annotated Mild C/C(S)=N/C[C@H]1CN(c2ccc(-c3nnc(CN)s3)c(F)c2)C(=O)O1 ZINC000027420934 GE Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3Cc4ccccc4C3=O)c(F)c2)C(=O)O1 ZINC000027422739 GE Annotated Anodyne CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027431659 GE Annotated Anodyne CCCNC(=O)N1N=C(c2cccc(N)c2)c2cc3c(cc2CC1=O)OCO3 ZINC000027431664 GE Annotated Anodyne CCCCCC[C@@H](O)CCCCCC/C=C/C[C@@H](O)[C@H](O)C(N)(CO)CO ZINC000027518252 GE Annotated Anodyne CCCCCC[C@H](O)CCCCCC/C=C/C[C@@H](O)[C@H](O)C(N)(CO)CO ZINC000027518253 GE Annotated Anodyne N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N3CCCCC[C@@H]3CC(=O)O)C2)cc1 ZINC000027519058 GE Annotated Anodyne N=C(N)c1ccc(C2=NO[C@H](CC(=O)N3CCCCC[C@@H]3CC(=O)O)C2)cc1 ZINC000027519059 GE Annotated Anodyne CCCCCC[C@@H](O)CCCCCCCCC[C@@H](O)[C@H](O)C(N)(CO)CO ZINC000027519156 GE Annotated Anodyne CCCCCC[C@H](O)CCCCCCCCC[C@@H](O)[C@H](O)C(N)(CO)CO ZINC000027519157 GE Annotated Anodyne CCCCC(=O)NN1N[C@@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027523429 GE Annotated Anodyne CCCCC(=O)NN1N[C@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027523430 GE Annotated Anodyne COc1cc(C2=NCCN2)ccc1OCCCOc1ccc(C2=NCCN2)cc1 ZINC000027524450 GE Annotated Anodyne CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@H](C)S2)CC1 ZINC000027524607 GE Annotated Anodyne CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@@H](C)S2)CC1 ZINC000027524608 GE Annotated Anodyne CCCCC(=O)NN1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027524731 GE Annotated Anodyne CN1CCN(c2cc3c(=O)c(C(=O)O)cn4c3c(c2Cl)SCC4)CC1 ZINC000027524884 GE Annotated Anodyne COc1c(F)c(N2CC[C@@H](N)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000027525319 GE Annotated Anodyne COc1c(F)c(N2CC[C@H](N)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000027525321 GE Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(C)=O)C[C@@H]3O ZINC000027526868 GE Annotated Mild C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)C[C@@H](C)N1 ZINC000027527060 GE Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)C[C@@H](C)N1 ZINC000027527061 GE Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)C[C@H](C)N1 ZINC000027527062 GE Annotated Anodyne CO/C(=C\C(=O)OCc1ccc2c(ccc(=O)n2C)c1)C1(OC)CCOCC1 ZINC000027561478 GE Annotated Anodyne Cc1sc(N=C(N)N)nc1-c1ccn(S(=O)(=O)c2ccccc2)c1C ZINC000027628308 GE Annotated Mild CCN(CC)CCNc1ccc2c3c(nn2CCN)-c2cnccc2C(=O)c13 ZINC000027634192 GE Annotated Clean CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(S(=O)(=O)C(C)C)n2c1 ZINC000027652579 GE Annotated Anodyne CCOCCOC(=O)/C(O)=N/c1nc(-c2cc(C(=O)OCC)no2)cs1 ZINC000027654466 GE Annotated Mild NCc1cc(C(=O)c2cc3c(c(Cl)c2Cl)O[C@H](C(N)=O)C3)ccc1O ZINC000027655334 GE Annotated Clean NCc1cc(C(=O)c2cc3c(c(Cl)c2Cl)O[C@@H](C(N)=O)C3)ccc1O ZINC000027655337 GE Annotated Clean COCCOC(=O)/C(O)=N/c1nc(-c2cc(Br)no2)cs1 ZINC000027655912 GE Annotated Mild CC(=O)Oc1c(C)c(C)c(OC(C)=O)c2c1[C@H](OC(C)=O)O[C@H]2OC(C)=O ZINC000027712392 GE Annotated Anodyne CC(=O)Oc1c(C)c(C)c(OC(C)=O)c2c1[C@H](OC(C)=O)O[C@@H]2OC(C)=O ZINC000027712398 GE Annotated Anodyne CC(=O)Oc1c(C)c(C)c(OC(C)=O)c2c1[C@@H](OC(C)=O)O[C@@H]2OC(C)=O ZINC000027712407 GE Annotated Anodyne COc1cc(OCCCNc2nc(N)nc(O)c2N=O)cc(OC)c1OC ZINC000027733269 GE Annotated Anodyne CCN(CC)CCC(=O)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000027736693 GE Annotated Clean C=C1CCO[C@H]2C(=O)N(Cc3ccccc3)[C@]1(O)C(=O)N2Cc1ccccc1 ZINC000027843736 GE Annotated Mild CC(C)(C)c1cc(I)c(O)c(CNS(=O)(=O)O)c1 ZINC000027844738 GE Annotated Clean O=C(CCO)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027852342 GE Annotated Anodyne O=C(CCO)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027852348 GE Annotated Anodyne CC(C)(C)c1cc(I)c(OS(C)(=O)=O)c(CN)c1 ZINC000027855821 GE Annotated Anodyne CC(C)N(C(=O)CNC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000027862685 GE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(c3)c3cnccc3n4C)C[C@H]12 ZINC000027865714 GE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c5cccnc5n(C)c4c3)C[C@H]12 ZINC000027868249 GE Annotated Clean C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cccc4c3c3cccnc3n4C)C[C@H]12 ZINC000027868947 GE Annotated Clean CS(=O)(=O)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N ZINC000027869968 GE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(c3)c3ncccc3n4C)C[C@H]12 ZINC000027878882 GE Annotated Anodyne NC(N)=NC(=O)[C@@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000027992192 GE Annotated Mild NC(N)=NC(=O)[C@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000027992198 GE Annotated Mild CCN[C@@H](C)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000027997525 GE Annotated Anodyne COc1cc(OS(=O)(=O)c2ccc3c(c2)CCN3C)cc(OC)c1OC ZINC000028004877 GE Annotated Anodyne CO/N=C(/C)c1ccn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1 ZINC000028016817 GE Annotated Mild O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1cccc(Cc2nnn[nH]2)c1 ZINC000028020928 GE Annotated Mild O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cc2nnn[nH]2)cc1 ZINC000028088098 GE Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(CCCO)c3)c(F)c2)C(=O)O1 ZINC000028093046 GE Annotated Anodyne C=CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1cc[n+](C)cc1 ZINC000028106444 GE Annotated Mild NC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(N)=O)OCO3 ZINC000028112384 GE Annotated Anodyne Cc1c(S[C@@H]2CCCCN2)n(COCSc2ccncc2)c(=O)[nH]c1=O ZINC000028120718 GE Annotated Anodyne Cc1c(S[C@H]2CCCCN2)n(COCSc2ccncc2)c(=O)[nH]c1=O ZINC000028120724 GE Annotated Anodyne O=C(CNC1CCCCC1)N1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028135203 GE Annotated Bother O=C1N=C(O)[C@@]2(CCC(=O)N2c2ccc(OCc3ccccc3)cc2)C(=O)N1 ZINC000028135975 GE Annotated Anodyne Cc1c(S[C@@H]2CCCCN2)n(COCNc2ccccc2)c(=O)[nH]c1=O ZINC000028138186 GE Annotated Anodyne Cc1c(S[C@H]2CCCCN2)n(COCNc2ccccc2)c(=O)[nH]c1=O ZINC000028138193 GE Annotated Anodyne O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCCC1 ZINC000028229948 GE Annotated Bother O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000028229959 GE Annotated Bother CCOC(=O)C1=CNC2=C(/C=N/c3ccc(C(=O)O)cc3)CC[C@@H](C)N2C1=O ZINC000028251598 GE Annotated Mild CCOC(=O)C1=CNC2=C(/C=N/c3ccc(C(=O)O)cc3)CC[C@H](C)N2C1=O ZINC000028251607 GE Annotated Mild CCOC(=O)C1=CNC2=C(/C=N/c3ccccc3C(=O)O)CC[C@@H](C)N2C1=O ZINC000028251647 GE Annotated Mild CCOC(=O)C1=CNC2=C(/C=N/c3ccccc3C(=O)O)CC[C@H](C)N2C1=O ZINC000028251654 GE Annotated Mild O=C(N[C@@H]1C(=O)N(c2ccccc2F)C[C@@H]1C(=O)O)c1cnc2ccccc2c1 ZINC000028253171 GE Annotated Anodyne CCOC(=O)C1=CNC2=C(/C=N/c3ccccc3C(=O)O)CCCCN2C1=O ZINC000028257836 GE Annotated Mild CNC1=CC(=O)c2c(cc(C/C=C/CO)c([C@H](O)c3ccccc3)c2OC)C1=O ZINC000028337842 GE Annotated Mild CCOC(=O)[C@@H](NC(=O)/C=C/c1ccccc1)NC(=S)Nc1ccccn1 ZINC000028340588 GE Annotated Anodyne CCOC(=O)[C@H](NC(=O)/C=C/c1ccccc1)NC(=S)Nc1ccccn1 ZINC000028340594 GE Annotated Anodyne CCc1nc2n(c1C(=O)NN1CCOCC1)CCN2c1c(C)cc(C)cc1C ZINC000028345312 GE Annotated Anodyne COc1ncc(S(=O)(=O)N(N)C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000028350662 GE Annotated Reactive C=C(C)CN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(C)(=O)=O ZINC000028351066 GE Annotated Mild C=C(C)CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(C)(=O)=O ZINC000028351074 GE Annotated Mild CCc1nc2n(c1C(=O)NN1CCNCC1)CCN2c1c(C)cc(C)cc1C ZINC000028351686 GE Annotated Anodyne O=c1c2cc(F)c(N3CCCC3)cc2n(-c2ccc(F)cc2F)c(=O)n1O ZINC000028378714 GE Annotated Anodyne O=S(=O)(Cc1ccccc1)/N=C(\O)c1nc(-c2cccs2)nc(O)c1O ZINC000028379757 GE Annotated Mild COC(=O)[C@]12C[C@H]3C[C@@H]4[C@H](C)OCN(CCc5c1n(c1ccccc51)[C@@H]3O)[C@@H]42 ZINC000028380080 GE Annotated Anodyne COC(=O)[C@]12C[C@H]3C[C@H]4[C@H](C)OCN(CCc5c1n(c1ccccc51)[C@@H]3O)[C@@H]42 ZINC000028380087 GE Annotated Anodyne COc1ccc2c(C(=O)N[C@@H](CC(=O)O)C(=O)O)cccc2c1Br ZINC000028382124 GE Annotated Anodyne COc1ccc2c(C(=O)N[C@H](CC(=O)O)C(=O)O)cccc2c1Br ZINC000028382130 GE Annotated Anodyne CC1(C)C(=O)N(c2ccc(C#N)c(I)c2)C(=O)N1CC#N ZINC000028393762 GE Annotated Mild COc1ccc(/C=N/Nc2nnc(-c3ncc([N+](=O)[O-])n3C)s2)cc1O ZINC000028456456 GE Annotated Mild COc1ccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)cc1OC ZINC000028457063 GE Annotated Anodyne COc1ccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)cc1OC ZINC000028457065 GE Annotated Anodyne COc1ccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)cc1OC ZINC000028457068 GE Annotated Anodyne COc1ccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)cc1OC ZINC000028457070 GE Annotated Anodyne C[C@@H]1C[C@H](N)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(O)cc1 ZINC000028459005 GE Annotated Anodyne COc1cc(/C=N/Nc2nnc(-c3ncc([N+](=O)[O-])n3C)s2)ccc1O ZINC000028459209 GE Annotated Mild OCCOCn1c(Br)nc(Br)c1Br ZINC000028461258 GE Annotated Anodyne COc1cccc(/C=N/Nc2nnc(-c3ncc([N+](=O)[O-])n3C)s2)c1O ZINC000028461551 GE Annotated Mild O=C1[C@H]2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)N2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000028461621 GE Annotated Bother CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N12 ZINC000028461700 GE Annotated Bother O=C(Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)n1)NO ZINC000028462226 GE Annotated Bother N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4ccc(F)cc4)C3)c[nH]c21 ZINC000028467097 GE Annotated Anodyne N[C@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4ccc(F)cc4)C3)c[nH]c21 ZINC000028467101 GE Annotated Anodyne Cc1nc2cc3c4c(cccc4c2s1)C(=O)N(CCN1CCNCC1)C3=O ZINC000028467534 GE Annotated Anodyne O=C(Cc1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1)NO ZINC000028468408 GE Annotated Bother CC(C)NC(=N)N/C(N)=N/OCCCOc1ccc(OCC(F)(F)F)cc1 ZINC000028470077 GE Annotated Mild COc1cccc2c(=O)c3c(O)cc4c(c3oc12)[C@@H]1OC[C@](O)(CCl)[C@@H]1O4 ZINC000028470437 GE Annotated Reactive CC(C)NC(=N)N/C(N)=N/OCCCOc1ccc(OC(F)(F)F)cc1 ZINC000028471786 GE Annotated Mild O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000028475474 GE Annotated Bother CC(C)NC(=N)N/C(N)=N/OCCCOc1ccccc1OC(F)(F)F ZINC000028476403 GE Annotated Mild O=C(NCC#CCN1C[C@H]2C[C@H]2C1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028521090 GE Annotated Mild O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000028521751 GE Annotated Bother O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000028521754 GE Annotated Bother COC(=O)[C@@H](C)NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028524290 GE Annotated Anodyne CC(=O)N1CC[C@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@@H]2C1 ZINC000028524426 GE Annotated Anodyne CC(=O)N1CC[C@@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@@H]2C1 ZINC000028524427 GE Annotated Anodyne CC(=O)N1CC[C@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@H]2C1 ZINC000028524428 GE Annotated Anodyne CC(=O)N1CC[C@@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@H]2C1 ZINC000028524429 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)COCC3=O)cc2)cc1C ZINC000028524587 GE Annotated Anodyne NC(=O)Nc1sc(C#Cc2cccc(NC(=O)C(F)(F)F)c2)cc1C(N)=O ZINC000028525407 GE Annotated Mild CC(=O)N(C(C)=O)c1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1 ZINC000028526598 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)Nc2cccc(F)c2CO1 ZINC000028527166 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)Nc2cccc(F)c2CO1 ZINC000028527168 GE Annotated Anodyne COc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000028528298 GE Annotated Anodyne CC(C)N1C(=O)C(=O)N=C1N/C(=N\C(=O)O)Nc1ccc(Cl)c(Cl)c1 ZINC000028528442 GE Annotated Mild CCOC(=O)N1CC[C@@]2(C1)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C ZINC000028529641 GE Annotated Anodyne CCOC(=O)N1CC[C@]2(C1)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C ZINC000028529642 GE Annotated Anodyne CCOC(=O)C[C@@H]1CNC(=O)c2cc(Br)c(Br)n21 ZINC000028541948 GE Annotated Anodyne COc1cc(OC)nc(NC(=S)NC(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000028565187 GE Annotated Anodyne CCOc1cc(OCC)n2s/c(=N\C(=O)c3ccc(Cl)nc3)nc2n1 ZINC000028565484 GE Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NCC2CC2)nc1 ZINC000028566112 GE Annotated Mild CC[C@@H](C)CNc1c(C#N)c(C(F)F)nn1-c1ccc(S(N)(=O)=O)cn1 ZINC000028566307 GE Annotated Mild CC[C@H](C)CNc1c(C#N)c(C(F)F)nn1-c1ccc(S(N)(=O)=O)cn1 ZINC000028566309 GE Annotated Mild Cc1cc(O)nc(NC(=S)NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000028566344 GE Annotated Bother CC(C)(C)CNc1c(C#N)c(C(F)F)nn1-c1ccc(S(N)(=O)=O)cn1 ZINC000028566476 GE Annotated Mild CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccc(C#N)cc1 ZINC000028567985 GE Annotated Mild COC(=O)[C@@H](N)[C@H](O)c1c[nH]c(C(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000028568433 GE Annotated Anodyne COC(=O)[C@@H](N)[C@@H](O)c1c[nH]c(C(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000028568541 GE Annotated Anodyne COC(=O)[C@H](N)[C@@H](O)c1c[nH]c(C(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000028568542 GE Annotated Anodyne COC(=O)[C@H](N)[C@H](O)c1c[nH]c(C(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000028568543 GE Annotated Anodyne C=C(C)n1c(=O)n(Cc2nc3ccccc3n2Cc2nnn[nH]2)c2ccccc21 ZINC000028570468 GE Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2OC2CCC2)nc1 ZINC000028570469 GE Annotated Mild CC(=O)NCCCN1CCn2cc(C(=O)O[C@H](C)C(C)(C)C)c(C)c2C1=O ZINC000028571134 GE Annotated Anodyne CC(=O)NCCCN1CCn2cc(C(=O)O[C@@H](C)C(C)(C)C)c(C)c2C1=O ZINC000028571135 GE Annotated Anodyne CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncncc4C#N)c3)cnc2n1 ZINC000028571726 GE Annotated Mild C=C(CO)C(=O)OC/C1=C\C[C@@H]2C(=C)C(=O)O[C@H]2C/C(COC(C)=O)=C/CC1 ZINC000028572712 GE Annotated Mild COc1cc(C(=O)c2n[nH]c3c(C#CCN)c(OC)ccc23)cc(OC)c1OC ZINC000028604084 GE Annotated Mild CC(=O)O[C@@H](C)Cn1cnc2c(Cl)nc(I)nc21 ZINC000028635925 GE Annotated Anodyne CC(=O)O[C@H](C)Cn1cnc2c(Cl)nc(I)nc21 ZINC000028635928 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1 ZINC000028636480 GE Annotated Anodyne in-man COc1ccc(OC)c2c1C=C1C(=O)N(C(C)=O)CC(=O)N1[C@H]2c1ccccc1 ZINC000028640375 GE Annotated Anodyne O=C1Nc2c(I)cc(I)cc2C1=O ZINC000028641786 GE Annotated Anodyne COc1c(C(=N)N)cccc1-c1cc(-c2ccc(C(=N)N)cc2[N+](=O)[O-])no1 ZINC000028642859 GE Annotated Bother C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCCO)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028644005 GE Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCCO)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028644008 GE Annotated Mild CCCCOc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000028649553 GE Annotated Anodyne COC(=O)COc1c(CO)cc(Br)c(OC)c1Br ZINC000028652102 GE Annotated Anodyne CCc1c(C(=O)c2cccc3ccccc23)n(C/C=C/C(=O)OC)c(=O)[nH]c1=O ZINC000028652490 GE Annotated Anodyne O=C(CCCN1C(=O)c2ccccc2C1=O)N/N=C\c1cccc([N+](=O)[O-])c1 ZINC000028654762 GE Annotated Reactive O=C(CCCN1C(=O)c2ccccc2C1=O)N/N=C\c1ccc([N+](=O)[O-])cc1 ZINC000028654765 GE Annotated Reactive CN1CCN[C@@H](c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)C1 ZINC000028701833 GE Annotated Bother CN1CCN[C@H](c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)C1 ZINC000028701835 GE Annotated Bother COc1c(N2CC[C@@H]([C@@H](N)CC#N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000028703394 GE Annotated Mild CCC1(O)CCN(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1 ZINC000028708302 GE Annotated Anodyne CC(=O)Nc1ccc(C2=NN[C@@](C)(C(=O)Nc3ccc(C#N)c(C#N)c3)C2)cc1 ZINC000028710388 GE Annotated Mild CC(=O)Nc1ccc(C2=NN[C@](C)(C(=O)Nc3ccc(C#N)c(C#N)c3)C2)cc1 ZINC000028710389 GE Annotated Mild CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)nc1 ZINC000028710410 GE Annotated Anodyne CCOC(=O)NC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O ZINC000028712245 GE Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc3n2ccc2nnc(-c4ccc([N+](=O)[O-])o4)n23)o1 ZINC000028712779 GE Annotated Bother N=C(N)c1ccc(N2CCC3(CCC(C(=O)NCCC(=O)O)CC3)CC2)cc1 ZINC000028755609 GE Annotated Anodyne CCN1C(=O)c2c(nc(C#N)n2Cc2ccc(OC)cc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028755801 GE Annotated Mild CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCCN3CCCCC3)n2)o1 ZINC000028758834 GE Annotated Mild CC(C)n1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CCN(C)CC3)c(F)c21 ZINC000028759336 GE Annotated Anodyne CN1CCN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 ZINC000028759366 GE Annotated Anodyne CCOCCCCN/C(N)=N\c1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000028759491 GE Annotated Mild CCCCN1CC2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028762262 GE Annotated Anodyne CCCCN1CC2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028762278 GE Annotated Anodyne CCCCN1CC2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028762294 GE Annotated Anodyne CCCCN1CC2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028762301 GE Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)c2ccc(-n3ncc(=O)[nH]c3=O)cc2)cc1 ZINC000028762651 GE Annotated Anodyne COc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1N(C)S2(=O)=O ZINC000028766651 GE Annotated Anodyne C[n+]1ccn(CCN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1/C=N/O ZINC000028769499 GE Annotated Mild CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@@H]2C[C@H]3CC[C@@H]2C3)c1C ZINC000028817256 GE Annotated Anodyne CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)c1C ZINC000028817257 GE Annotated Anodyne CCOC(=O)C1=NN2C(N)=N/C(=N\c3ccc(C#N)c(C(F)(F)F)c3)[C@@]2(C)C1 ZINC000028821084 GE Annotated Mild CCOC(=O)C1=NN2C(N)=N/C(=N\c3ccc(C#N)c(C(F)(F)F)c3)[C@]2(C)C1 ZINC000028821085 GE Annotated Mild CCOC(=O)CN(CC(F)(F)F)C1=C[C@H]2C(C(F)(F)F)=CC(=O)N[C@H]2C=C1 ZINC000028821702 GE Annotated Anodyne CCOC(=O)CN(CC(F)(F)F)C1=C[C@@H]2C(C(F)(F)F)=CC(=O)N[C@H]2C=C1 ZINC000028821703 GE Annotated Anodyne CNc1ccc(C#Cc2cnc(OCCO)c(I)c2)cc1 ZINC000028822531 GE Annotated Mild OCCOc1ncc(C#Cc2ccc(O)cc2)cc1I ZINC000028822532 GE Annotated Mild Cc1nnc(C(=O)[C@@H]2CSCN2C(=O)CNC23CC4CC(CC(C4)C2)C3)o1 ZINC000028823371 GE Annotated Anodyne Cc1nnc(C(=O)[C@@H]2C[C@H](F)CN2C(=O)CNC23CC4CC(CC(C4)C2)C3)o1 ZINC000028823381 GE Annotated Anodyne C[C@@H]1CN(C(=O)c2cccs2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826908 GE Annotated Anodyne C[C@H]1CN(C(=O)c2cccs2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826909 GE Annotated Anodyne CC1(C)CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826929 GE Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(CN)s1 ZINC000028827366 GE Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N2CCC3(CC2)OCCO3)[nH]c1=O ZINC000028866392 GE Annotated Anodyne CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCSCC3)nc21 ZINC000028867988 GE Annotated Bother CC1(C)COCN1c1nc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2C(C)(C)C ZINC000028868415 GE Annotated Bother CCCN(C(=O)CCN)C1=C(C)C[C@@H](c2ccccc2)N(CCC(=O)O)C1=O ZINC000028869386 GE Annotated Anodyne CCCN(C(=O)CCN)C1=C(C)C[C@H](c2ccccc2)N(CCC(=O)O)C1=O ZINC000028869390 GE Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)NCCCO[N+](=O)[O-])O2 ZINC000028876802 GE Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)NCCCO[N+](=O)[O-])O2 ZINC000028876807 GE Annotated Anodyne C[C@@H](CNC(=O)c1cn2ccnc(N3CCN(C)CC3)c2n1)c1ccccc1 ZINC000028882291 GE Annotated Anodyne C[C@H](CNC(=O)c1cn2ccnc(N3CCN(C)CC3)c2n1)c1ccccc1 ZINC000028882298 GE Annotated Anodyne O=C(O)c1sc(Br)c(Br)c1OCc1nnn[nH]1 ZINC000028886770 GE Annotated Anodyne CCc1ccc(/C=C2\S/C(=N/S(=O)(=O)c3ccccc3N)NC2=O)o1 ZINC000028888681 GE Annotated Mild C[C@@H]1C[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000028892134 GE Annotated Anodyne C[C@H]1C[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000028892140 GE Annotated Anodyne C[C@H]1C[C@@H](C)CN1C[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000028892144 GE Annotated Anodyne C[C@H]1C[C@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000028892150 GE Annotated Anodyne C[C@@H]1C[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000028892164 GE Annotated Anodyne C[C@H]1C[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000028892169 GE Annotated Anodyne C[C@H]1C[C@@H](C)CN1C[C@@H](O)CNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000028892176 GE Annotated Anodyne C[C@H]1C[C@H](C)N(C[C@@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000028892182 GE Annotated Anodyne CCN1C(N/N=C\c2ccc([N+](=O)[O-])s2)=NS(=O)(=O)c2ccccc21 ZINC000028951267 GE Annotated Mild C=CCNC(=O)[C@H](N(Cc1ccncc1)C(=O)c1cccnc1)C(F)(F)F ZINC000028953060 GE Annotated Mild C=CCNC(=O)[C@@H](N(Cc1ccncc1)C(=O)c1cccnc1)C(F)(F)F ZINC000028953062 GE Annotated Mild C=CCNC(=O)[C@@](C=C)(CC)N(CCCn1ccnc1)C(=O)c1cccnc1 ZINC000028953385 GE Annotated Mild C=CCNC(=O)[C@](C=C)(CC)N(CCCn1ccnc1)C(=O)c1cccnc1 ZINC000028953387 GE Annotated Mild COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)[C@@H](O)[C@H]2O ZINC000028954108 GE Annotated Anodyne COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)[C@H](O)[C@H]2O ZINC000028954111 GE Annotated Anodyne C[C@H](c1ccc(-n2cncn2)cc1)N1C[C@H](N)[C@H](C(=O)[C@@H]2CCC[C@H]2C#N)C1 ZINC000028955117 GE Annotated Mild C[C@@H](c1ccc(-n2cncn2)cc1)N1C[C@H](N)[C@H](C(=O)[C@@H]2CCC[C@H]2C#N)C1 ZINC000028955120 GE Annotated Mild Cc1nnc(-c2ccc(CN3C[C@H](N)[C@H](C(=O)[C@@H]4[C@@H](F)CC[C@H]4C#N)C3)cc2)o1 ZINC000028955138 GE Annotated Mild Cc1nnc(-c2ccc(CN3C[C@H](N)[C@H](C(=O)[C@H]4[C@@H](F)CC[C@H]4C#N)C3)cc2)o1 ZINC000028955141 GE Annotated Mild C=CCSC[C@H]1O[C@@H](n2c(CC)nc3c([N+](=O)[O-])cccc32)[C@H](O)[C@@H]1O ZINC000028956621 GE Annotated Mild COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(CCC(=O)O)OC3=O ZINC000028966478 GE Annotated Anodyne C[C@@H]1CN(C=O)[C@H]2[C@@H]1CC[C@@]1(CO)C(=O)CC[C@H]3CCC=C3[C@@]21CCC(=O)O ZINC000028969651 GE Annotated Anodyne O=C(CS(=O)(=O)N1CC=C(c2ccc(-c3ccccc3)c(F)c2)CC1)NO ZINC000028970095 GE Annotated Bother C=C(C)[C@H]1C/C2=C(\C(=O)OC)[C@@H]3O[C@@](C)(CC3=O)C[C@@H]3C=C(C(=O)O3)[C@H](C1)O2 ZINC000028973256 GE Annotated Mild Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccncc2)O1 ZINC000028974779 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccncc2)O1 ZINC000028974784 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccncc2)O1 ZINC000028974790 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccncc2)O1 ZINC000028974796 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccnc2)O1 ZINC000028974802 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cccnc2)O1 ZINC000028974808 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cccnc2)O1 ZINC000028974814 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cccnc2)O1 ZINC000028974820 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccoc2)O1 ZINC000028974824 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccoc2)O1 ZINC000028974829 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccoc2)O1 ZINC000028974834 GE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccoc2)O1 ZINC000028974839 GE Annotated Anodyne C/C(=C(\CCO)SSCCC(=O)O)N(C=O)Cc1ccc(C)nc1N ZINC000028976222 GE Annotated Reactive CCNC(=O)c1ccc(C)c(N2C[C@@H]3N=C(NC4CCCC4)S[C@@H]3C2=O)c1 ZINC000029041469 GE Annotated Anodyne CCNC(=O)c1ccc(C)c(N2C[C@H]3N=C(NC4CCCC4)S[C@@H]3C2=O)c1 ZINC000029041471 GE Annotated Anodyne CCNC(=O)c1ccc(C)c(N2C[C@@H]3N=C(NC4CCCC4)S[C@H]3C2=O)c1 ZINC000029041473 GE Annotated Anodyne CCNC(=O)c1ccc(C)c(N2C[C@H]3N=C(NC4CCCC4)S[C@H]3C2=O)c1 ZINC000029041474 GE Annotated Anodyne CC1=C[C@H]([C@H]2O[C@@H]3CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)CC[C@H]4[C@H]3[C@@H]2C)OC1=O ZINC000029042000 GE Annotated Anodyne COc1cc2c(=O)n(CCO)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000029044843 GE Annotated Bother CC(C)(C)c1nc2cc(S(=O)(=O)CCN)ccc2n1CC1CCOCC1 ZINC000029046437 GE Annotated Anodyne CN(CCCl)P(=O)(OCc1cnc([N+](=O)[O-])n1C)N(C)CCCl ZINC000029053724 GE Annotated Reactive COc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2C)ccc1O ZINC000029056704 GE Annotated Anodyne CN(C)CC(=O)Nc1cc2[nH]c(CN(C)C)nc2c2c(=O)c3ccccc3oc12 ZINC000029056762 GE Annotated Bother CCOc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)c(F)c1 ZINC000029056795 GE Annotated Anodyne O=P(O)(O)C1(P(=O)(O)O)CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000029056814 GE Annotated Anodyne Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1c(F)cc(O)cc1F ZINC000029057218 GE Annotated Anodyne CS(=O)(=O)c1ccc(/C=C(/C(=O)OCCO[N+](=O)[O-])c2ccccc2)cc1 ZINC000029059971 GE Annotated Anodyne CCOC(=O)c1c(C(=O)O)nn2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c12 ZINC000029060430 GE Annotated Bother CN(C)/[N+]([O-])=N/Oc1cc(Nc2ccc(CO)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000029063430 GE Annotated Clean FC(F)(F)c1cc([C@@H]2CNCCNCCNCCN2)cc(C(F)(F)F)c1 ZINC000029126206 GE Annotated Anodyne FC(F)(F)c1cc([C@H]2CNCCNCCNCCN2)cc(C(F)(F)F)c1 ZINC000029126207 GE Annotated Anodyne CO[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO ZINC000029128039 GE Annotated Bother CO[C@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO ZINC000029128047 GE Annotated Bother CNC(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)C[C@@H]2c1ccccc1 ZINC000029129127 GE Annotated Anodyne CNC(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)C[C@H]2c1ccccc1 ZINC000029129128 GE Annotated Anodyne Cc1cn2c(/C=N/N/C(N)=N/N)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1 ZINC000029133455 GE Annotated Mild OC[C@@H](O)CNc1c(Br)cccc1Nc1ncnc2ccncc12 ZINC000029133494 GE Annotated Anodyne OC[C@H](O)CNc1c(Br)cccc1Nc1ncnc2ccncc12 ZINC000029133496 GE Annotated Anodyne CCCSc1ccc2c(c1)nc(NC(=O)OC)n2COP(=O)(O)O ZINC000029134852 GE Annotated Anodyne CCOc1cc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)cc(Cl)c1OCC ZINC000029135639 GE Annotated Clean COC[C@@H](Cn1ccnc1[N+](=O)[O-])OP(=O)(N1CC1(C)C)N1CC1(C)C ZINC000029207415 GE Annotated Bother COC[C@H](Cn1ccnc1[N+](=O)[O-])OP(=O)(N1CC1(C)C)N1CC1(C)C ZINC000029207419 GE Annotated Bother CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CCN1CCCCC1 ZINC000029215507 GE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccc(N)cc4s3)[C@H](C)[C@H]12 ZINC000029217447 GE Annotated Anodyne CCOC(=O)Oc1ccc2cc(S(=O)(=O)[C@@H]3SC(=O)NC3=O)ccc2c1 ZINC000029217855 GE Annotated Anodyne CCOC(=O)Oc1ccc2cc(S(=O)(=O)[C@H]3SC(=O)NC3=O)ccc2c1 ZINC000029217862 GE Annotated Anodyne O=C(NCCCOc1ccc2[nH]c(=O)ccc2c1)N(C1CC1)[C@@H]1CCC[C@H]1O ZINC000029246781 GE Annotated Anodyne CC(C)[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)O ZINC000029311568 GE Annotated Anodyne O=S1(=O)c2ccccc2-c2nn(CCNCCO)c3ccc(Cl)c1c23 ZINC000029320318 GE Annotated Anodyne CCCCOC/C=C(\C)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 ZINC000029341685 GE Annotated Anodyne CCCCOC/C=C(\C)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 ZINC000029341688 GE Annotated Anodyne CS(=O)(=O)CCCN1C(=O)c2ccccc2[C@H](CC(=O)c2ccccc2)C1=O ZINC000029342432 GE Annotated Anodyne CS(=O)(=O)CCCN1C(=O)c2ccccc2[C@@H](CC(=O)c2ccccc2)C1=O ZINC000029342434 GE Annotated Anodyne COC1=C(C)C(=O)c2c(c(COC(C)=O)c3n2CCC[C@H]3OC(C)=O)C1=O ZINC000029342946 GE Annotated Mild COC1=C(C)C(=O)c2c(c(COC(C)=O)c3n2CCC[C@@H]3OC(C)=O)C1=O ZINC000029342950 GE Annotated Mild Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCCN=C(N)N)c1 ZINC000029344474 GE Annotated Mild Cc1cc(OCCCN=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1 ZINC000029346802 GE Annotated Mild O=C(NCCCBr)C1=CC2=C(CO1)C(=O)c1ccccc1C2=O ZINC000029348183 GE Annotated Reactive CS(=O)(=O)CCN1C(=O)c2ccccc2[C@H](CC(=O)c2ccccc2)C1=O ZINC000029348197 GE Annotated Anodyne CS(=O)(=O)CCN1C(=O)c2ccccc2[C@@H](CC(=O)c2ccccc2)C1=O ZINC000029348201 GE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CCCCCC3)[C@H](C)[C@H]12 ZINC000029389060 GE Annotated Anodyne O=C(Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O)c1ccc(F)cc1 ZINC000029389843 GE Annotated Mild COc1ccc(C(=O)Oc2cccc3c2C(=O)C(N2CC2)=C(N2CC2)C3=O)cc1 ZINC000029391576 GE Annotated Mild COc1ccc(S(=O)(=O)Oc2cccc3c2C(=O)C=C(N2CC2)C3=O)cc1 ZINC000029393168 GE Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)c3ccccc3)[C@H](C)[C@H]12 ZINC000029395485 GE Annotated Anodyne CNc1c(F)c(N2CCN(C)CC2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000029396004 GE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)c3cccs3)[C@H](C)[C@H]12 ZINC000029396172 GE Annotated Anodyne CCOc1cc(Nc2cccc(C)c2C)nc(SCC(=O)NCCO)n1 ZINC000029397851 GE Annotated Anodyne N[C@H](Cc1nc2c(Cl)cc(Cl)cc2cc1CP(=O)(O)O)C(=O)O ZINC000029398539 GE Annotated Anodyne O=C1c2c(O)ccc(Cl)c2C(=O)c2c(NCCNCCO)ccc(Cl)c21 ZINC000029406264 GE Annotated Clean O=C1c2c(O)ccc(NCCNCCO)c2C(=O)c2c(Cl)ccc(Cl)c21 ZINC000029410143 GE Annotated Clean C[C@@H](CCCN1C(=O)CC(C)(C)CC1=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000029462142 GE Annotated Anodyne C[C@H](CCCN1C(=O)CC(C)(C)CC1=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000029462145 GE Annotated Anodyne C[C@@H](CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000029462177 GE Annotated Anodyne C[C@H](CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000029462180 GE Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(S(C)(=O)=O)cc1 ZINC000029471192 GE Annotated Anodyne CC(=O)N[C@@H](CSC(=O)c1ccccc1)C(=O)NCCSC(=O)C(C)C ZINC000029476019 GE Annotated Anodyne Cc1cc(NC(=O)C2=C(N3CCCC3)c3ccccc3S(=O)(=O)N2C)no1 ZINC000029477292 GE Annotated Anodyne C/N=c1\c(O)c(O)\c1=N/C/C=C\COc1csc(CN2CCCCC2)c1 ZINC000029482776 GE Annotated Anodyne C[C@@H](OC(=O)CCC(=O)O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000029546804 GE Annotated Anodyne C[C@H](OC(=O)CCC(=O)O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000029546807 GE Annotated Anodyne O=C(O)C[C@@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccccc1 ZINC000029562848 GE Annotated Reactive O=C(O)C[C@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccccc1 ZINC000029562851 GE Annotated Reactive Cc1ccc(-c2cc(CN(Cc3ccc(C#N)cc3)[C@@H](CO)C(N)=O)no2)cc1 ZINC000029562937 GE Annotated Mild Cc1ccc(-c2cc(CN(Cc3ccc(C#N)cc3)[C@H](CO)C(N)=O)no2)cc1 ZINC000029562941 GE Annotated Mild N#Cc1ccc(CN(Cc2cc(-c3ccccc3)on2)[C@@H](CO)C(N)=O)cc1 ZINC000029562949 GE Annotated Mild O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccccc1 ZINC000029563354 GE Annotated Reactive O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccccc1 ZINC000029563358 GE Annotated Reactive C[C@@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@H](N(C)C)[C@@H]1O ZINC000299804571 GE Annotated Clean CN1C[C@H](CC2SCCCS2)O[P@]1(=O)Oc1cnc(O)nc1O ZINC000299804769 GE Annotated Anodyne CN1C[C@@H](CC2SCCCS2)O[P@]1(=O)Oc1cnc(O)nc1O ZINC000299804770 GE Annotated Anodyne C[C@H]1CN(CCn2cnnn2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1 ZINC000299805017 GE Annotated Anodyne C[C@@H]1CN(CCn2cnnn2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1 ZINC000299805018 GE Annotated Anodyne COC(=O)[C@]12C[C@H]3C[C@H]4[C@H](C)OCN(CCc5c1n(c1ccccc51)[C@H]3O)[C@@H]42 ZINC000299805967 GE Annotated Anodyne O=C(O)c1cn(-c2ccc(O)cc2)c2cc(N3C[C@H]4C[C@H]3CN4)c(F)cc2c1=O ZINC000299806033 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@H](C=C[C@]12CO)[C@]43O ZINC000299806140 GE Annotated Anodyne O=C(O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@H]1[C@H]5[C@@H]4[C@H]12)c1n[nH]c2ccccc12 ZINC000299806719 GE Annotated Anodyne O=C(O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@]41OCCCN12)c1n[nH]c2ccccc12 ZINC000299806720 GE Annotated Anodyne O=C(O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@@H]1[C@H]5[C@@H]4[C@H]12)c1n[nH]c2ccccc12 ZINC000299806721 GE Annotated Anodyne O=C(O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@]1(OCCCN12)[C@H]53)c1n[nH]c2ccccc12 ZINC000299806722 GE Annotated Anodyne CC[C@@H]1C[N@@+]2([O-])CC[C@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@@H]42 ZINC000299811296 GE Annotated Bother CC1(C)O[C@@H]2O[C@@H]3CO[P@](=O)(N(CCCl)CCCl)O[C@H]3[C@H]2O1 ZINC000299814108 GE Annotated Reactive CC1(C)O[C@@H]2O[C@@H]3CO[P@](=O)(N(CCCl)CCCl)O[C@@H]3[C@@H]2O1 ZINC000299814109 GE Annotated Reactive CC1(C)O[C@@H]2O[C@@H]3CO[P@](=O)(N(CCCl)CCCl)O[C@@H]3[C@H]2O1 ZINC000299814110 GE Annotated Reactive CC(=O)N1c2ccccc2[C@]2(CCN(C(C)=O)[C@H]2C(=O)O)[C@@H]1c1ccc(O)cc1 ZINC000299814870 GE Annotated Anodyne CCS[C@@]12O[C@@]3(CCCCCN3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000299815873 GE Annotated Anodyne CO[C@@H]1C[C@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@H](c3ccccc3)OC[C@@H]2O1 ZINC000299816621 GE Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2c(F)cccc2Cl)nc1O ZINC000299816766 GE Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc3cnccc23)nc1O ZINC000299816859 GE Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc3cccnc23)nc1O ZINC000299816881 GE Annotated Anodyne O=C(c1ccccc1)c1cccc(C=c2nc(O)c(=Cc3ccncc3)nc2O)c1 ZINC000299818735 GE Annotated Anodyne COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCCCOC(C)C ZINC000299819681 GE Annotated Anodyne COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCc1ncccc1C ZINC000299819733 GE Annotated Anodyne NC1CCN(Cc2c[nH]c3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)CC1 ZINC000299819788 GE Annotated Clean O=C(c1ccccc1)c1cccc(C=c2nc(O)c(=Cc3ccccn3)nc2O)c1 ZINC000299820106 GE Annotated Anodyne O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@@H]3CCCNC3)c1c2O ZINC000299820566 GE Annotated Clean O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CN[C@H]3CCCNC3)c1c2O ZINC000299820573 GE Annotated Clean O=C(/C=C/c1ccccc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@@H](O)c1ccccc1 ZINC000299820998 GE Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O ZINC000299821646 GE Annotated Anodyne CC(=O)N/C=C\c1ccc2c(c1)O[C@H](NC(C)=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000299821794 GE Annotated Clean CC(=O)N/C=C\c1ccc2c(c1)O[C@@H](NC(C)=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000299821799 GE Annotated Clean CC(=O)N/C=C\c1ccc2c(c1)O[C@H](NC(C)=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000299821803 GE Annotated Clean CC(=O)N/C=C\c1ccc2c(c1)O[C@@H](NC(C)=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000299821807 GE Annotated Clean CN1C(=O)C([C@@H]2C3=C(CCCC3=O)Oc3ccc(Cl)cc32)C(=O)N(C)C1=O ZINC000299821897 GE Annotated Mild CN1C(=O)C([C@H]2C3=C(CCCC3=O)Oc3ccc(Cl)cc32)C(=O)N(C)C1=O ZINC000299821898 GE Annotated Mild N=C(N)NCCNc1c2c(c(N)c3sccc13)C(=O)c1ccccc1C2=O ZINC000299822818 GE Annotated Clean COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1ccc(OC)c(OC)c1 ZINC000299822993 GE Annotated Anodyne COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000299822995 GE Annotated Anodyne COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)cc1 ZINC000299822996 GE Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)cc1 ZINC000299822997 GE Annotated Anodyne COc1nc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)cnc1C ZINC000299823659 GE Annotated Anodyne O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCC[C@@H](O)C3)sc21 ZINC000299825196 GE Annotated Clean O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCC[C@H](O)C3)sc21 ZINC000299825199 GE Annotated Clean CCc1nnc2c(C(=O)N(CC)CC)c(N3CCN(C)CC3)c3cccnc3n12 ZINC000299825875 GE Annotated Anodyne Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)NCc1ncc([N+](=O)[O-])s1 ZINC000299825942 GE Annotated Bother C=CCNC(=S)N/N=C/c1cccc(OCc2ccc3no[n+]([O-])c3c2)c1 ZINC000299826228 GE Annotated Mild O=C1c2ccccc2C(=O)c2c1c(O)c1[nH]cc(CNC3CCNCC3)c1c2O ZINC000299827024 GE Annotated Clean O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3noc4ccccc34)CC2)cc1 ZINC000299827878 GE Annotated Bother CC(=O)N/C=C\c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2 ZINC000299828382 GE Annotated Clean CC(=O)N/C=C\c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2 ZINC000299828386 GE Annotated Clean N=C(N)NCCNc1c2c(c(N)c3ccsc13)C(=O)c1ccccc1C2=O ZINC000299829138 GE Annotated Clean CCOC(=O)c1sc2nc(Cc3nnc(S)n3CC)nc(O)c2c1C ZINC000299829196 GE Annotated Anodyne COc1cccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)c1 ZINC000299829649 GE Annotated Anodyne COc1cccc([C@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)c1 ZINC000299829652 GE Annotated Anodyne COc1cc(/C=C/CN2C(=O)C=CC2=O)c(C(=O)OC(C)C)c(OC(C)=O)c1 ZINC000299829726 GE Annotated Anodyne Cn1c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccccc2)c(=O)n(C)c1=O ZINC000299831524 GE Annotated Mild Cn1c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccccc2)c(=O)n(C)c1=O ZINC000299831531 GE Annotated Mild NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCCl)nn2)c(F)c1F ZINC000299831859 GE Annotated Reactive COc1cc(Cn2c(=O)ccc3cccc(OC)c32)cc(N2CCNCC2)c1 ZINC000299832829 GE Annotated Anodyne COC(=O)[C@@]1(O)C(=O)c2c(O)cccc2C12Oc1cccc3cccc(c13)O2 ZINC000299833752 GE Annotated Anodyne CN1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 ZINC000299834288 GE Annotated Clean Clc1ncn(-c2csc(N3CCOCC3)n2)c1I ZINC000299834379 GE Annotated Anodyne COC(=O)CCCNC(=O)CSC1=C(C)C(=O)c2cccc(OC)c2C1=O ZINC000299834899 GE Annotated Mild C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=CC2=O ZINC000299834903 GE Annotated Mild C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O ZINC000299834905 GE Annotated Mild CNCC(=O)Nc1nc2cc(-c3cncc(F)c3)cc(-c3ncccn3)c2[nH]1 ZINC000299835615 GE Annotated Anodyne C#CCNC(=N)NCCCCCCN1CCCCCCCCNC(=N)NC1=O ZINC000299835636 GE Annotated Mild CC(=O)[C@H](CC(=O)O)[C@@H]1C[C@H]2c3c(c4ccccc4n3C)C[C@@H]([C@@H]1CO)N2C ZINC000299836210 GE Annotated Anodyne CC(=O)[C@@H](CC(=O)O)[C@@H]1C[C@H]2c3c(c4ccccc4n3C)C[C@@H]([C@@H]1CO)N2C ZINC000299836212 GE Annotated Anodyne CCn1c(=O)c2c3c(cnc2n(CC)c1=O)C(=O)C1=C(C3=O)C2CCC1CC2 ZINC000299836916 GE Annotated Mild COc1ccccc1-n1c(C)nc2ccc(C(=O)c3cnn(C)c3O)cc2c1=O ZINC000299837308 GE Annotated Anodyne N#Cc1cnc(-c2nc(CC(=O)N[C@@H](C(=O)O)c3ccccc3)cs2)c(O)c1 ZINC000299837761 GE Annotated Mild Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)Nc1ccc(Br)cc1 ZINC000299838757 GE Annotated Reactive COC(=O)[C@@H](NC(=O)CSC1=CC(=O)c2cccc(OC)c2C1=O)C(C)C ZINC000299839012 GE Annotated Mild C=CCNC(=S)N/N=C/c1ccc(OCc2ccc3no[n+]([O-])c3c2)cc1 ZINC000299840255 GE Annotated Mild COC1CCN(c2nccc(Nc3cc4c(cn3)[nH]c(=O)n4C(C)C)n2)CC1 ZINC000299840948 GE Annotated Anodyne O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@@H]1c1ccccc1Cl ZINC000299841471 GE Annotated Anodyne O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@H]1c1ccccc1Cl ZINC000299841472 GE Annotated Anodyne Cc1cccc(CN2C[C@H]3[C@@H](C(=O)NCC(C)C)CCS(=O)(=O)[C@H]3C2)c1 ZINC000299841968 GE Annotated Anodyne O=S(=O)(N1CCCC1)N1C[C@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@@H]21 ZINC000299842582 GE Annotated Anodyne Cc1ccc(CN2C[C@H]3[C@@H](C(=O)NCC(C)C)CCS(=O)(=O)[C@H]3C2)cc1 ZINC000299843175 GE Annotated Anodyne CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]12 ZINC000299843221 GE Annotated Anodyne CC(=O)N1CCC2(CC1)CN(C(=O)[C@H]1CSCN1)c1ccc(Cl)cc12 ZINC000299843556 GE Annotated Anodyne CCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCC)(CC3)CC4)(CC1)CC2 ZINC000299844754 GE Annotated Bother O=C1N[C@@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc(Br)cc1 ZINC000299844843 GE Annotated Anodyne O=C1N[C@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc(Br)cc1 ZINC000299844844 GE Annotated Anodyne CN(C)C1=N[C@H]2c3ccccc3C(=[N+]([O-])O)[C@@H]([C@@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000299848360 GE Annotated Mild CN(C)C1=N[C@H]2c3ccccc3C(=[N+]([O-])O)[C@@H]([C@H]1c1ccccc1)[C@H]2[N+](=O)[O-] ZINC000299848363 GE Annotated Mild CN(C)C1=N[C@H]2c3ccccc3C(=[N+]([O-])O)[C@@H]([C@H]1c1ccccc1)[C@@H]2[N+](=O)[O-] ZINC000299848367 GE Annotated Mild CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](OC(C)C)[C@](C)(O)N1C ZINC000299848619 GE Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](OC(C)C)[C@](C)(O)N1C ZINC000299848623 GE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N12 ZINC000299848682 GE Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N21 ZINC000299848687 GE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000299848832 GE Annotated Anodyne COC(=O)[C@@]12C(=O)C=CC(=O)[C@@H]1[C@@H]1C(=C[C@@H]2C)O[C@@H]2OC3(CCCCC3)O[C@@H]12 ZINC000299849027 GE Annotated Mild CCCO[C@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@]1(C)O ZINC000299849062 GE Annotated Anodyne CCCO[C@@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@]1(C)O ZINC000299849063 GE Annotated Anodyne O=S1(=O)NC[C@]2(CCN(Cc3ccc(Cl)s3)C2)Oc2ncccc21 ZINC000299849877 GE Annotated Anodyne O=S1(=O)NC[C@@]2(CCN(Cc3ccc(Cl)s3)C2)Oc2ncccc21 ZINC000299849879 GE Annotated Anodyne CN1CCC(N(C)C(=O)c2cnn(-c3ccccc3Br)c2N)CC1 ZINC000299850610 GE Annotated Anodyne CC(=O)/N=C/Cc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](NC(C)=O)O2 ZINC000299851725 GE Annotated Mild C=C([C@H](O)/C=C/[C@](C)(O)COC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299852578 GE Annotated Mild C=C([C@@H](O)/C=C/[C@@](C)(O)COC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299852579 GE Annotated Mild C=C([C@@H](O)/C=C/[C@](C)(O)COC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299852580 GE Annotated Mild O=C(O)CCN(CCO)Cc1ccc2oc3cccc4c(=O)[nH]nc(c2c1)c34 ZINC000299853980 GE Annotated Bother Cc1c(O)c(C(C)(C)C)cc(CSC[C@H](N)C(=O)O)c1CC1=NCCN1 ZINC000299854100 GE Annotated Anodyne C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2cc(F)ccc2C)c1=O ZINC000299855026 GE Annotated Mild CN1C(=O)[C@H](C(=N)NNC(=O)c2ccc(F)cc2)[C@H]2C[C@@]1(C)Oc1ccccc12 ZINC000299855453 GE Annotated Reactive CN1C(=O)[C@@H](C(=N)NNC(=O)c2ccc(F)cc2)[C@H]2C[C@@]1(C)Oc1ccccc12 ZINC000299855455 GE Annotated Reactive CCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(=O)N(C)C)n1 ZINC000299856814 GE Annotated Anodyne CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc(C(=N)N)cc12 ZINC000299856873 GE Annotated Anodyne C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2cccc(Cl)c2)c1=O ZINC000299858056 GE Annotated Mild C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2ccccc2Cl)c1=O ZINC000299859506 GE Annotated Mild COc1ccc(N2C3=C(C(=O)CCC3)[C@]3(O)C(=O)c4ccccc4[C@]23O)cc1 ZINC000299860631 GE Annotated Mild C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(=O)[C@H]2C/C=C1/SC(=S)NC1=O ZINC000299861256 GE Annotated Clean O=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2cc(Br)ccc21 ZINC000299861264 GE Annotated Anodyne COC(=O)C[C@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(C)=O ZINC000299862180 GE Annotated Anodyne COC(=O)C[C@@H]1c2c(ccc3c2C(=O)C(=O)N3C)-c2ccccc2N1C(C)=O ZINC000299862182 GE Annotated Anodyne COc1ccccc1N1C2=C(C(=O)CCC2)[C@]2(O)C(=O)c3ccccc3[C@]12O ZINC000299863957 GE Annotated Mild COc1cc(C2=NCC(=O)N3COc4c(OC)ccc2c43)cc(OC)c1OC ZINC000299864095 GE Annotated Anodyne COc1ccc2c(c1)/C(=C1/Nc3cc(F)c(F)cc3/C1=N\OCCO)C(=O)N2 ZINC000299864451 GE Annotated Mild CN(C)CCn1c(=O)sc2cc(S(=O)(=O)N(C)c3ccccc3)ccc21 ZINC000299866409 GE Annotated Anodyne COc1cccc(N2C3=C(C(=O)CCC3)[C@]3(O)C(=O)c4ccccc4[C@]23O)c1 ZINC000299867737 GE Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(=O)CC ZINC000299869356 GE Annotated Mild C/C(=C\Cc1c(O)cc2c(c1O)CN(CCO)C2=O)CC/C=C(\C)C(=O)O ZINC000299870418 GE Annotated Clean O=C1OCCN1c1ccc(-c2ccc3c(c2)SC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000299870552 GE Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)C1 ZINC000299872690 GE Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)C1 ZINC000299872691 GE Annotated Anodyne Cc1ccc2c(c1)CN(CCNC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C[C@H](C)O2 ZINC000299872928 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299875979 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299875980 GE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N(C(=O)c2ccco2)C1 ZINC000299876535 GE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@H](C)CC)N(C(=O)c2ccco2)C1 ZINC000299876536 GE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)[C@@H](C)CC)N(C(=O)c2ccco2)C1 ZINC000299876537 GE Annotated Anodyne CC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000299879089 GE Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCC6(CC5)OCCO6)[C@H]4C[C@]13O2 ZINC000299879880 GE Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@@H](CN5CCC6(CC5)OCCO6)[C@H]4C[C@@]13O2 ZINC000299879881 GE Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCCCN(C)c3ccccc3)n2)C1 ZINC000299881432 GE Annotated Anodyne CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)C1 ZINC000299881752 GE Annotated Anodyne CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)C1 ZINC000299881753 GE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)c2ccco2)C1 ZINC000299882956 GE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)c2ccco2)C1 ZINC000299882957 GE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)N(C(=O)c2ccco2)C1 ZINC000299882958 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299884620 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299884621 GE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2ccco2)C1 ZINC000299888122 GE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c2ccco2)C1 ZINC000299888123 GE Annotated Anodyne COc1cc(OC)cc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)c1 ZINC000003008421 GE Annotated Anodyne O=C(C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)NCc1cccnc1 ZINC000003046289 GE Annotated Anodyne O=C(C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)NCc1cccnc1 ZINC000003046293 GE Annotated Anodyne COC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)/c(=C\N(C)C)sc12 ZINC000003273189 GE Annotated Anodyne COC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)/c(=C/N(C)C)sc12 ZINC000003273191 GE Annotated Anodyne COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000003306393 GE Annotated Anodyne COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000003306394 GE Annotated Anodyne O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)N1CCOCC1 ZINC000003322371 GE Annotated Anodyne CCCCc1ccc(NC(=O)CN2NS(=O)(=O)c3ccccc3C2=O)cc1 ZINC000003396564 GE Annotated Anodyne O=C(OC[C@@H](O)[C@H](OC(=O)c1ccccc1)C(F)(F)CO)c1ccccc1 ZINC000301054572 GE Annotated Anodyne O=C(OC[C@H](O)[C@H](OC(=O)c1ccccc1)C(F)(F)CO)c1ccccc1 ZINC000301054573 GE Annotated Anodyne O=C(OC[C@H](O)[C@@H](OC(=O)c1ccccc1)C(F)(F)CO)c1ccccc1 ZINC000301054574 GE Annotated Anodyne N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C=O)cn3-c2ccc(F)cc2F)C1 ZINC000031424719 GE Annotated Anodyne N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C=O)cn3-c2ccc(F)cc2F)C1 ZINC000031424720 GE Annotated Anodyne COC(=O)[C@@]1(N2CCOCC2)CC[C@H]([C@@H](c2ccccc2)[C@@H](C)[N+](=O)[O-])C1 ZINC000031793426 GE Annotated Bother COC(=O)[C@]1(N2CCOCC2)CC[C@H]([C@@H](c2ccccc2)[C@@H](C)[N+](=O)[O-])C1 ZINC000031793431 GE Annotated Bother C=C1C(=O)[C@]23O[C@@H]2[C@H]1CCC(=O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000031794199 GE Annotated Mild in-vitro biogenic COC(=O)[C@@]12C(=O)CCC(=O)[C@H]1[C@H]1C(=C[C@H]2C)O[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000031830064 GE Annotated Anodyne O=C1CCC[C@@H]1C[C@@H](CN1CCOCC1)Sc1nnnn1-c1ccccc1 ZINC000031871939 GE Annotated Anodyne O=C1CCC[C@H]1C[C@@H](CN1CCOCC1)Sc1nnnn1-c1ccccc1 ZINC000031871941 GE Annotated Anodyne O=C1CCC[C@@H]1C[C@H](CN1CCOCC1)Sc1nnnn1-c1ccccc1 ZINC000031871944 GE Annotated Anodyne O=C1CCC[C@H]1C[C@H](CN1CCOCC1)Sc1nnnn1-c1ccccc1 ZINC000031871946 GE Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](COC(=O)c3ccc(C#N)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000031872493 GE Annotated Mild CC1(C)O[C@H]2[C@H](COC(=O)c3ccc(C#N)cc3)O[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 ZINC000031872495 GE Annotated Mild CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccc(C#N)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000031872497 GE Annotated Mild CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)c1ccc(C#N)cc1)O[C@@H]1OC(C)(C)O[C@@H]21 ZINC000031872499 GE Annotated Mild CC(C)=C[C@@H](O)[C@@H]([C@@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1 ZINC000031900667 GE Annotated Anodyne CC(C)=C[C@H](O)[C@@H]([C@@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1 ZINC000031900672 GE Annotated Anodyne CC(C)=C[C@@H](O)[C@H]([C@@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1 ZINC000031900677 GE Annotated Anodyne CC(C)=C[C@H](O)[C@H]([C@@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1 ZINC000031900681 GE Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(O)cc1)/N=C1/[C@H]2CCC[C@]1(O)[C@@](C)([N+](=O)[O-])C2 ZINC000031901551 GE Annotated Mild CCS[C@]12O[C@@]3(CCCCCN3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000031904782 GE Annotated Anodyne CCS[C@@]12O[C@]3(CCCCCN3C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000031904783 GE Annotated Anodyne c1cc2c(N3CCCCC3)cc(N3CCOCC3)nc2nc1N1CCOCC1 ZINC000032037622 GE Annotated Anodyne O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 ZINC000033340594 GE Annotated Reactive O=C1/C(=C/c2ccc(Br)s2)N=C(S)N1CN1CCOCC1 ZINC000033493175 GE Annotated Anodyne N#Cc1c(Cl)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000033505284 GE Annotated Mild CC(=O)CC(=O)O[C@@H](C)CCCCC[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](C)NC(=[N+]23)N1 ZINC000033505340 GE Annotated Anodyne CC(=O)CC(=O)O[C@@H](C)CCCCC[C@H]1C[C@H]2CC[C@H]3C[C@@H](C)NC(=[N+]32)N1 ZINC000033505341 GE Annotated Anodyne NC(=O)c1cc2cc(Cl)ccc2o/c1=N/NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033554745 GE Annotated Reactive O=C(NC1CCCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000033699790 GE Annotated Bother O=C(NC1CCCCC1)[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1 ZINC000033699792 GE Annotated Bother CC[C@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000033713344 GE Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000033818986 GE Annotated Bother COc1ccc2c(c1)NC(=O)[C@@]21CCN2C[C@H]3[C@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]21 ZINC000033829803 GE Annotated Anodyne in-vitro biogenic O=C1C=C[C@H](O)[C@@H]([C@H](O)[C@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)O1 ZINC000033831634 GE Annotated Anodyne COc1c2c(cc3c1[C@H]1[C@H](c4ccc5c(c4CN1C)OCO5)[C@@H](O)C3)OCO2 ZINC000033832496 GE Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000033833018 GE 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](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000033833019 GE Annotated Mild in-vitro CCOC1=CC=C/C(=C\NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000033849184 GE Annotated Reactive CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000033913799 GE Annotated Anodyne in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000033914447 GE Annotated Mild in-vitro biogenic COC(=O)c1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000033930835 GE Annotated Reactive COC(=O)c1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000033930837 GE Annotated Reactive CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)CCC[C@H]1C)O2 ZINC000033943490 GE Annotated Anodyne C[C@@]1(CO)CC[C@@H](O)[C@]2(C)[C@H]3COC(=O)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@H]12 ZINC000033949477 GE Annotated Anodyne CN(CCN(C)c1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000034066544 GE Annotated Anodyne CN[C@@H](C)[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000034097326 GE Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C ZINC000034148908 GE Annotated Anodyne N#C[C@]1([C@@H]2SCC[S@@]2=O)C2=C(C(=O)c3ccccc3C2=O)N2CCC[C@@H]21 ZINC000034175869 GE Annotated Mild CN(C)C(=O)c1cc(Cl)cc(/N=c2\c(O)c(O)\c2=N/c2ccccc2)c1O ZINC000034292002 GE Annotated Clean COC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1 ZINC000034292055 GE Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)OC[C@]32C(=O)C=CC(C)(C)[C@H]2C=O)[C@@H]1OC(C)=O ZINC000034472181 GE Annotated Mild CN(C)CCc1cc2c(cc1/C=C1\NC(=O)c3c1ccc1c3OCO1)OCO2 ZINC000034490823 GE Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12[C@H](CCC(C)(C)[C@H]1[C@H](O)O[C@H]2OC)OC3=O ZINC000034506663 GE Annotated Mild COC(=O)[C@]12C[C@H]3C[C@@H]4[C@H](C)OCN(CCc5c1n(c1ccccc51)[C@H]3O)[C@@H]42 ZINC000034542069 GE Annotated Anodyne O=C1C(Nc2ccc(I)cc2)=CC(=O)c2ncncc21 ZINC000034653816 GE Annotated Mild Cn1c2c([C@H](O)[C@H](O)[C@H](O)CO)nc(-c3ccccc3)c-2cc2ccccc21 ZINC000034660313 GE Annotated Anodyne Cc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 ZINC000034706195 GE Annotated Reactive CCOC(=O)CN(CC(F)(F)F)C1=C[C@H]2C(C(F)(F)F)=CC(=O)N[C@@H]2C=C1 ZINC000034799921 GE Annotated Anodyne CCOC(=O)CN(CC(F)(F)F)C1=C[C@@H]2C(C(F)(F)F)=CC(=O)N[C@@H]2C=C1 ZINC000034799922 GE Annotated Anodyne N[C@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4cccc(Cl)c4)C3)c[nH]c21 ZINC000034803653 GE Annotated Anodyne N[C@H]1NC=Nc2c(CN3C[C@H](CSc4cccc(Cl)c4)[C@@H](O)C3)c[nH]c21 ZINC000034803657 GE Annotated Anodyne N[C@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4ccc(Cl)cc4)C3)c[nH]c21 ZINC000034803686 GE Annotated Anodyne N[C@H]1NC=Nc2c(CN3C[C@H](CSc4ccc(Cl)cc4)[C@@H](O)C3)c[nH]c21 ZINC000034803691 GE Annotated Anodyne COC[C@H]1CCCN1C1=C(C(=O)OC)[C@]2(C(=O)OC)Sc3ccccc3[C@H]12 ZINC000034819617 GE Annotated Anodyne COC[C@H]1CCCN1C1=C(C(=O)OC)[C@@]2(C(=O)OC)Sc3ccccc3[C@@H]12 ZINC000034819619 GE Annotated Anodyne C=C1C(=O)[C@]23O[C@@H]2[C@H]1C[C@H](OC(C)=O)C(=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000034826319 GE Annotated Mild O=c1[nH]c2cc(/C(O)=N/CCc3ccccc3)ccc2c(=O)n1C[C@@H]1CCCO1 ZINC000034861367 GE Annotated Mild O=c1[nH]c2cc(/C(O)=N/CCc3ccccc3)ccc2c(=O)n1C[C@H]1CCCO1 ZINC000034861370 GE Annotated Mild CCc1c(C)c2c(c(O)c1C/C=C(\C)CNCCP(=O)(O)O)C(=O)OC2 ZINC000034867399 GE Annotated Anodyne CNCCNc1c2c(c(NCCNC)c3[nH]ccc13)C(=O)c1ccccc1C2=O ZINC000034867600 GE Annotated Clean C/C(=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC000034869640 GE Annotated Mild O=[N+]([O-])c1cc(-c2nc(-c3ccc[n+]([O-])c3C(F)(F)F)no2)cc(O)c1O ZINC000034892981 GE Annotated Clean O=[N+]([O-])c1cc(-c2nc(-c3c[n+]([O-])ccc3C(F)(F)F)no2)cc(O)c1O ZINC000034894419 GE Annotated Clean O=[N+]([O-])c1cc(-c2nc(-c3ccc(C(F)(F)F)[n+]([O-])c3)no2)cc(O)c1O ZINC000034894423 GE Annotated Clean CC(C)N1CCN(C(=O)N2CCC(C(=O)N3CC4CCC(CC4)C3)CC2)CC1 ZINC000034947323 GE Annotated Anodyne CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)nc1 ZINC000034949969 GE Annotated Anodyne CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)nc1 ZINC000034949973 GE Annotated Anodyne C/C=C1/C[C@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@@H](CC3=O)OC1=O ZINC000034954170 GE Annotated Anodyne Nn1c(S)nnc1-c1ccccc1Nc1ccccc1-c1n[nH]c(=S)n1N ZINC000003588415 GE Annotated Anodyne COC(=O)C1(C(=O)OC)CC2=C(S(=O)(=O)c3ccccc3)C[C@H](C#N)[C@H]2C1 ZINC000003588422 GE Annotated Mild COC(=O)C1(C(=O)OC)CC2=C(S(=O)(=O)c3ccccc3)C[C@@H](C#N)[C@H]2C1 ZINC000003588425 GE Annotated Mild COc1cccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000003591443 GE Annotated Anodyne COc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000003591462 GE Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(F)c12 ZINC000003591490 GE Annotated Anodyne COc1c2c(cc3ccoc13)C(=O)[C@]1(O)c3cc4c(cc3OC[C@@H]1O2)OCO4 ZINC000003596884 GE Annotated Anodyne in-man endogenous O=C(NCc1ccco1)c1ccc2c(=O)n(C[C@H]3CCCO3)c(S)nc2c1 ZINC000003631894 GE Annotated Anodyne O=C(NCc1ccco1)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S)nc2c1 ZINC000003631896 GE Annotated Anodyne COc1ccc(NC(=O)[C@H]2C(=O)N(CCO)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000003640394 GE Annotated Anodyne COc1cccc(/C=c2\s/c(=C\C(=O)c3ccc(C)cc3)[nH]c2=O)c1OC ZINC000003642980 GE Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 ZINC000003645703 GE Annotated Anodyne C[C@H]1CC(C)(C)NC(=S)N1CCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000003654911 GE Annotated Anodyne C[C@@H]1CC(C)(C)NC(=S)N1CCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000003654912 GE Annotated Anodyne O=C1c2cccnc2C(=O)N1CCC/C(O)=N/C[C@@H]1COc2ccccc2O1 ZINC000003660524 GE Annotated Mild O=C1c2cccnc2C(=O)N1CCC/C(O)=N/C[C@H]1COc2ccccc2O1 ZINC000003660525 GE Annotated Mild CCOc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1 ZINC000003665117 GE Annotated Anodyne O=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1Cl ZINC000003665147 GE Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3nccc(N4CCOCC4)c3F)nc2c1 ZINC000003778153 GE Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3cc(N4CCOCC4)c(F)cn3)nc2c1 ZINC000003778169 GE Annotated Anodyne O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCCN(CCO)CCO ZINC000003805665 GE Annotated Bother COc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)ccc1=O ZINC000003807482 GE Annotated Anodyne C#CCNc1cccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)cc1=O ZINC000003807483 GE Annotated Mild O=C(N[C@H]1CCc2cc(O)c(O)c(O)c2-c2ccc(=O)c(O)cc21)C(F)(F)F ZINC000003808540 GE Annotated Clean O=C1NC(=O)[C@@](CC#Cc2ccc(F)cc2)(S(=O)(=O)c2ccccn2)S1 ZINC000003813952 GE Annotated Mild N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O ZINC000003817238 GE Annotated Anodyne in-vitro C[C@H]1C(CSc2ccc3c(c2)CCC3=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000003824385 GE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(c3)c3cccnc3n4C)C[C@H]12 ZINC000003826285 GE Annotated Anodyne COc1ccc2c(c1)[C@H](n1c(Br)nc3c(=O)[nH]c(N)nc31)CCC2 ZINC000003842940 GE Annotated Anodyne O=C1C=C/C(=C(\c2ccc(O)c(O)c2)c2ccccc2S(=O)(=O)O)CC1=O ZINC000003860835 GE Annotated Mild CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCCc3ccccn3)n2)o1 ZINC000003923007 GE Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[N+]4(C)CCCCC4)cc3)C[C@H]12 ZINC000003924995 GE Annotated Bother CNCCn1cc(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc21 ZINC000003927115 GE Annotated Anodyne OCCCNc1cncc(-c2ncnc(Nc3ccc4c(c3)OCCO4)n2)c1 ZINC000003937628 GE Annotated Anodyne O=S1(=O)NCCCNc2nc(ncc2Br)Nc2cccc1c2 ZINC000003942821 GE Annotated Anodyne in-vivo C#CC/N=C(\N)c1ccc(C(=O)Nc2ccc3c(c2)C[C@H](CC(=O)O)CO3)cc1 ZINC000003951494 GE Annotated Mild Cc1c(N2CC3=CCCN[C@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003952885 GE Annotated Clean CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CCC(=O)OCC)nc2n1 ZINC000003956641 GE Annotated Anodyne CCOC(=O)c1c(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1C ZINC000003958473 GE Annotated Anodyne O=S(=O)(c1ccccn1)n1ccc2c(N3CCNCC3)c(Cl)ccc21 ZINC000003975512 GE Annotated Anodyne COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C(O)O)c1O2 ZINC000003984013 GE Annotated Anodyne in-vitro Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000003986375 GE Annotated Mild COC(=O)[C@@H]1[C@@H](CO)Cc2cc(OC)c(O)cc2[C@H]1c1ccc(O)c(OC)c1 ZINC000035049158 GE Annotated Anodyne C=C(C=O)[C@@H]1C[C@@H](OC(C)=O)[C@@H]2[C@]3(C1)C(=O)OC[C@]21CCCC(C)(C)[C@H]1[C@@H]3O ZINC000035066772 GE Annotated Reactive in-vitro O=C(/C=C/c1ccccc1)O[C@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O ZINC000035078434 GE Annotated Anodyne COC(=O)C1=C[C@H](O)[C@H](O)[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](CO)CC[C@@]12C ZINC000035086378 GE Annotated Anodyne C[C@@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1 ZINC000035087393 GE Annotated Anodyne C[C@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CC(Oc2ccccc2F)C1 ZINC000035087396 GE Annotated Anodyne CC[C@]12C=CCN3CCc4c(n(c5cc(OC)c(O)cc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000035241602 GE Annotated Anodyne CC[C@]12C=CCN3CCc4c(n(c5cc(OC)c(O)cc45)[C@](O)(C(=O)OC)C1)[C@@H]32 ZINC000035241606 GE Annotated Anodyne CCOC(=O)c1c(SC)nn2c(=O)n(-c3ccc(C(F)(F)F)cc3)nnc12 ZINC000035245066 GE Annotated Anodyne CCOC(=O)c1c(SC)nn2c(=O)n(-c3cccc(C(F)(F)F)c3)nnc12 ZINC000035245081 GE Annotated Anodyne COC(=O)[C@@H]1C[C@]23C(=O)[C@]45C[C@H](O)[C@@]2(C)[C@H](CCC2=C3[C@@H]1CC2)CN4C[C@H]5C ZINC000035307406 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Br ZINC000035323122 GE Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3ccncc32)cc1 ZINC000035323456 GE Annotated Mild CCN1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)nc(C)c32)C1=O ZINC000035793197 GE Annotated Anodyne CCOCCn1nc(C)c2nc(N3CCNCC3)nc(Nc3cccc(C)n3)c21 ZINC000035847748 GE Annotated Anodyne O=c1c(Br)cc(CN2CCOCC2)cc(Br)c1O ZINC000035878261 GE Annotated Anodyne CO[C@@H]1C[C@](C)(NC(=O)C(F)(F)F)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1 ZINC000035942622 GE Annotated Anodyne C=C1[C@@H]2CC[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 ZINC000035950723 GE Annotated Mild CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1 ZINC000036146047 GE Annotated Anodyne CN1CCOc2cccc3nc(O)c(nc23)-c2cccc3c(O)n(nc23)CC1 ZINC000036188418 GE Annotated Anodyne O=c1c2cccc3c2sn1CCNCCOc1cccc2nc(O)c-3nc12 ZINC000036188420 GE Annotated Anodyne CC1(C)C(=O)N(C23CCC(C(N)=O)(CC2)CC3)C[C@H]1COc1ccc(C#N)cn1 ZINC000036286243 GE Annotated Mild CC1(C)C(=O)N(C23CCC(C(N)=O)(CC2)CC3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000036286246 GE Annotated Mild CC[C@@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1 ZINC000036286349 GE Annotated Anodyne CC[C@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(C(N)=O)(C3)C2)N1CCCC(F)(F)C1 ZINC000036286353 GE Annotated Anodyne Cc1ccc(C)n1-c1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2CC(=O)O ZINC000036338522 GE Annotated Clean CN(C)C(=O)[C@@]1(Cc2ccccc2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375812 GE Annotated Anodyne CCOC(=O)c1ccc(-n2nc(C(=O)OCC)c3csc(N)c3c2=O)cc1 ZINC000036380596 GE Annotated Anodyne CN1CCN(c2ccc(-c3csc(N4CCC(C(N)=O)CC4)n3)cc2)CC1 ZINC000036381459 GE Annotated Anodyne COc1ncc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)O)c2C3=O)cn1 ZINC000036382284 GE Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000036383911 GE Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000036384321 GE Annotated Anodyne CC(C)=CCN1CCN(Cc2ccc(Sc3nncn3C)o2)C[C@H]1CCO ZINC000036385782 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386440 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Br)cc1 ZINC000036386827 GE Annotated Anodyne C[C@@H]1NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@]2(O3)[C@H]1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000036388025 GE Annotated Anodyne CCN(CC)C(=O)c1[nH]cnc1C(=O)NCCCCCNC(=O)OC(C)(C)C ZINC000036388189 GE Annotated Anodyne COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000036388593 GE Annotated Mild COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000036388598 GE Annotated Mild O=C1c2ccccc2C(=O)N1CCC#Cc1ccc2cc(CCO)oc(=O)c2c1 ZINC000036388908 GE Annotated Mild COc1ccc2c(c1)OC[C@H]1[C@@H]2N2C(=O)CNC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036388996 GE Annotated Anodyne COc1ccc2c(c1)[C@@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)NCC(=O)N12 ZINC000036388997 GE Annotated Anodyne COC1=C(OC)C(=O)c2c(cc3c([nH]c(=O)n3C)c2-c2ccc(OC)cc2)C1=O ZINC000036464383 GE Annotated Mild Cc1cc2cc(C#N)c(N3CCCN(C(=O)/C=C/C(=O)O)CC3)nc2cc1C ZINC000036638253 GE Annotated Mild Cc1ccc(C)c(S(=O)(=O)N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)c1 ZINC000037023585 GE Annotated Mild COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(C(=O)Nc5cc(OC)ccc54)[C@@H]3C[C@H]12 ZINC000037238444 GE Annotated Anodyne O=c1cc(C2=C(c3ccc(F)cc3)NC(=c3ccc(=C4N=NN=N4)cc3)N2)cc[nH]1 ZINC000377428797 GE Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(OCC3CC3)ccc21 ZINC000377797787 GE Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(Br)ccc21 ZINC000377797794 GE Annotated Anodyne O=C(c1ccccc1)c1cccc(/C=c2\nc(O)/c(=C/c3ccncc3)nc2O)c1 ZINC000377805980 GE Annotated Anodyne O=C(c1ccccc1)c1cccc(/C=c2\nc(O)/c(=C/c3ccccn3)nc2O)c1 ZINC000377805981 GE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)Nc1c(C#N)n(O)c2cc(C)ccc2[n+]1=O ZINC000377811317 GE Annotated Mild CC(=O)Oc1ccccc1C(=O)Nc1c(C#N)n(O)c2cc(Cl)ccc2[n+]1=O ZINC000377811339 GE Annotated Mild O=C1C=CC(C(=O)CN2C=CC=C(c3ccc(Br)cc3)N2)=CC1=O ZINC000377811865 GE Annotated Mild O=[n+]1[nH]c2c(Br)cnn2c2cc(I)ccc21 ZINC000377813301 GE Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(C(F)(F)F)ccc21 ZINC000377827775 GE Annotated Anodyne CCOc1ccc2c(c1)n1ncc(C(=O)OCc3ccccc3OC)c1[nH][n+]2=O ZINC000377829971 GE Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(-c3ccncc3)ccc21 ZINC000377836358 GE Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(-c3ccc[nH]3)ccc21 ZINC000377836366 GE Annotated Anodyne Cc1c2ccn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377841759 GE Annotated Bother CN(C)/C=N/C(=O)c1cnn2c1[nH][n+](=O)c1ccc(OCc3cccs3)cc12 ZINC000377845408 GE Annotated Mild Cc1noc(-c2cnn3c2[nH][n+](=O)c2ccc(OCc4ccncc4)cc23)n1 ZINC000377845410 GE Annotated Anodyne CN(C)/C=N/C(=O)c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccccc3)cc12 ZINC000377845419 GE Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)[n+](=O)c2ccc(Cl)cc2n1O ZINC000377845799 GE Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+](=O)c2ccc(F)cc2n1O ZINC000377845805 GE Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+](=O)c2cc(F)c(F)cc2n1O ZINC000377845814 GE Annotated Mild Cc1c2ccn([C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377846180 GE Annotated Bother Cc1c2ccn([C@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377846189 GE Annotated Bother Cc1c(C)[n+](=O)c2cc(/C=N/NC(=O)NCCc3ccccc3)ccc2n1O ZINC000377848883 GE Annotated Reactive Cc1c2ccn([C@@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377854579 GE Annotated Bother CS(=O)(=O)CCCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21 ZINC000038142817 GE Annotated Anodyne CCn1c(=O)/c(=C2\C=CC=CN2C)s/c1=C/c1sc2ccccc2[n+]1CC ZINC000038146387 GE Annotated Anodyne CCCCCCCCn1c2nc(=O)[nH]c(=O)c-2cc2c1C(=O)C(OC)=CC2=O ZINC000038152105 GE Annotated Mild CCCCCCCCn1c2nc(=O)n(C)c(=O)c-2cc2c1C(=O)C(OC)=CC2=O ZINC000038152107 GE Annotated Mild COC(=O)C[C@@H](CO)CC[C@@]1(C)[C@H](C)C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]31 ZINC000038209148 GE Annotated Anodyne COC(=O)C[C@H](CO)CC[C@@]1(C)[C@H](C)C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]31 ZINC000038209149 GE Annotated Anodyne COc1cc(C(=O)c2n[nH]c3c(C#CCO)c(OC)ccc23)cc(OC)c1OC ZINC000038209521 GE Annotated Mild CCN1C(=O)[C@@H]2[C@H](N=C(/C=C/c3ccc(OC)c(OC)c3)N2C)N(CC)C1=O ZINC000038238823 GE Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](N=C(/C=C/c3ccc(OC)c(OC)c3)N2C)N(CC)C1=O ZINC000038238824 GE Annotated Anodyne CCN1C(=O)[C@H]2[C@H](N=C(/C=C/c3ccc(OC)c(OC)c3)N2C)N(CC)C1=O ZINC000038238825 GE Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](N=C(/C=C/c3ccc(OC)c(OC)c3)N2C)N(CC)C1=O ZINC000038238826 GE Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@]2(OC(C)=O)[C@@H]2OC(=O)[C@H](C)[C@H]12 ZINC000038299086 GE Annotated Mild NCC(F)=C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 ZINC000038319109 GE Annotated Anodyne C=C1C[C@@H](OC(=O)Cc2ccc(O)cc2)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000038331802 GE Annotated Mild in-vitro biogenic CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H]([C@H](C)NC)C3)c(OC)c21 ZINC000038496616 GE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C(C#N)C#N)CC3)c(F)c2)C(=O)O1 ZINC000038558622 GE Annotated Reactive COC(=O)[C@@]12C[C@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000038624772 GE Annotated Anodyne OC[C@H]1O[C@@H](n2c(Cl)c(/C=N/O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000038801636 GE Annotated Mild C=C(C)[C@@H](C)[C@@H]1/C=C/C(=O)C[C@@H]2O[C@H]2[C@@H]2CC(=C)[C@@H](C)[C@](O)(CC(=O)O1)O2 ZINC000038826255 GE Annotated Mild COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@@]5(c6cccc(OC)c6N[C@]15O)[C@@H]43)C2 ZINC000038861074 GE Annotated Anodyne C=C1C[C@@H](O)[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000038934439 GE Annotated Reactive C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@](O)(C(=O)C[C@@H](C)OC)[C@H]2OC(=O)[C@@H](C)CC ZINC000038988885 GE Annotated Mild in-vitro biogenic C=C(C(=O)OC)[C@H]1CC[C@](C)(O)[C@H](O)CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)C1 ZINC000039031980 GE Annotated Mild CC[C@H](C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)/C=C/OC ZINC000039141872 GE Annotated Mild in-vivo Cc1ccc2c(c1)CN(CCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C[C@H](C)O2 ZINC000039353780 GE Annotated Anodyne Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCOc2ccccc2C1 ZINC000039380774 GE Annotated Anodyne Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CCOc2ccccc2C1 ZINC000039380775 GE Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@H]2C[N+]3([O-])CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 ZINC000039560250 GE Annotated Bother CCOC(=O)CSc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1 ZINC000039930614 GE Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=O)[nH]c3c2)[C@@H]1C ZINC000004004961 GE Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=O)[nH]c3c2)[C@@H]1C ZINC000004004962 GE Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=O)[nH]c3c2)[C@@H]1C ZINC000004004963 GE Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=O)[nH]c3c2)[C@@H]1C ZINC000004004964 GE Annotated Anodyne CCCn1c(=O)c2ccccc2n2c(SCC(=O)[C@@H](C#N)C(C)=N)nnc12 ZINC000004005172 GE Annotated Mild COc1ccc(OC)c2[nH]c(=O)c(CCN3C(=O)c4ccccc4C3=O)cc12 ZINC000004032819 GE Annotated Anodyne CCN(CC)C(=O)c1cn(C)c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O ZINC000004034806 GE Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CSc1nnc(CNC(=O)c2ccco2)o1 ZINC000004035013 GE Annotated Anodyne CC[C@H]1CCCCN1C(=O)CSc1nnc(CNC(=O)c2ccco2)o1 ZINC000004035014 GE Annotated Anodyne COc1ccc(OC)c(NC(=O)CCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 ZINC000004035771 GE Annotated Anodyne COc1ccc(OC)c(NC(=O)CCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 ZINC000004035772 GE Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCO ZINC000004039714 GE Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCO ZINC000004039718 GE Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCO ZINC000004039724 GE Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCO ZINC000004039727 GE Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)cc1 ZINC000004039765 GE Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)cc1 ZINC000004039767 GE Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004039769 GE Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004039774 GE Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)c1 ZINC000004041344 GE Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)c1 ZINC000004041352 GE Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)c1 ZINC000004041355 GE Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)c1 ZINC000004041357 GE Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOCCO ZINC000004049150 GE Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOCCO ZINC000004049151 GE Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOCCO ZINC000004049152 GE Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOCCO ZINC000004049153 GE Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004049170 GE Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004049171 GE Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004049172 GE Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004049173 GE Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004049381 GE Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049382 GE Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049511 GE Annotated Bother O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049512 GE Annotated Bother O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049513 GE Annotated Bother O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049514 GE Annotated Bother O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000004055182 GE Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004055183 GE Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000004055184 GE Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004055185 GE Annotated Anodyne Cn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(=O)n(C)c3ccccc3c21 ZINC000004076026 GE Annotated Anodyne Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 ZINC000004076250 GE Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000004095905 GE Annotated Anodyne in-vitro CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000004096057 GE Annotated Anodyne in-vivo CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000004096464 GE Annotated Anodyne in-vitro CN(C)[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@H]3CC[C@]21C)[C@@H]45 ZINC000004097738 GE Annotated Anodyne in-vitro CN(C)[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@@H]3CC[C@]21C)[C@@H]45 ZINC000004097739 GE Annotated Anodyne in-vitro CN(C)[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@H]3CC[C@@]21C)[C@@H]45 ZINC000004097740 GE Annotated Anodyne in-vitro CN(C)[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@@H]3CC[C@@]21C)[C@@H]45 ZINC000004097741 GE Annotated Anodyne in-vitro COc1ccc(NC(=O)[C@@H]2C(=O)N(CCO)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000004100037 GE Annotated Anodyne CCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1 ZINC000004101339 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1 ZINC000004101952 GE Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1 ZINC000004101953 GE Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N4CCc5ccccc54)C3)sc2n1 ZINC000004110517 GE Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N4CCc5ccccc54)C3)sc2n1 ZINC000004110518 GE Annotated Anodyne O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCC2(CC1)OCCO2 ZINC000004111051 GE Annotated Anodyne O=C(NCc1cccs1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000004129012 GE Annotated Anodyne CC[C@@H](C)/N=C(\O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000004135725 GE Annotated Mild CC[C@H](C)/N=C(\O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000004135726 GE Annotated Mild C[C@@]12C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C(=O)NCc1ccco1)O2 ZINC000004143138 GE Annotated Anodyne C[C@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C(=O)NCc1ccco1)O2 ZINC000004143142 GE Annotated Anodyne O=C1N=C(O)C2(C(=O)N1)[C@@H](c1cccs1)NC(=O)N[C@H]2c1cccs1 ZINC000004148161 GE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCOCCO ZINC000004152084 GE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCOCCO ZINC000004152085 GE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCOCCO ZINC000004152086 GE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCOCCO ZINC000004152087 GE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCO ZINC000004152613 GE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCO ZINC000004152614 GE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCO ZINC000004152616 GE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCO ZINC000004152618 GE Annotated Anodyne CCCCNC(=S)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160447 GE Annotated Anodyne CC(=O)[C@@H]1[C@H](c2cccc(Br)c2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004162861 GE Annotated Anodyne CC(=O)[C@@H]1[C@@H](c2cccc(Br)c2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004162864 GE Annotated Anodyne CC(=O)[C@H]1[C@@H](c2cccc(Br)c2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000004162865 GE Annotated Anodyne CCCn1nc2ccccc2c1P(=N)(N1CCOCC1)N1CCOCC1 ZINC000004195358 GE Annotated Anodyne O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCC(=O)N1C1CCCC1 ZINC000004196580 GE Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000004206615 GE Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004206618 GE Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000004206621 GE Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004206624 GE Annotated Anodyne O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1 ZINC000004238418 GE Annotated Anodyne CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004238422 GE Annotated Anodyne O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1C1CC1 ZINC000004238549 GE Annotated Anodyne O=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1 ZINC000004238718 GE Annotated Anodyne CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004238736 GE Annotated Anodyne CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C4CC4)c3n2)CC1 ZINC000004238919 GE Annotated Anodyne CN1CCN(c2ncc3nc(-c4ccc(F)cc4)c(=O)n(C4CC4)c3n2)CC1 ZINC000004238947 GE Annotated Anodyne N#CCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N3CCOCC3)nc21 ZINC000004238949 GE Annotated Mild CN1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(C4CC4)c3n2)CC1 ZINC000004239019 GE Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1C1CC1 ZINC000004239073 GE Annotated Anodyne O=C(NCCc1nnc2ccc(NCc3cccnc3)nn12)c1ccccc1F ZINC000004272449 GE Annotated Anodyne COc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccccc3F)N2)c1 ZINC000004279783 GE Annotated Anodyne COc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccccc3F)N2)c1 ZINC000004279784 GE Annotated Anodyne O=C(NCc1nnc(SCC(=O)N2CCCCC2)o1)c1c(F)cccc1F ZINC000004354377 GE Annotated Anodyne CCOCCCNC(=O)CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(OC)cc1)C2 ZINC000004373740 GE Annotated Anodyne CC(C)(C)NC(=O)CN(C(=O)[C@@]1(C)CC(=O)N=C2C=CC=CN21)C1CCCC1 ZINC000004400647 GE Annotated Anodyne CC(C)(C)NC(=O)CN(C(=O)[C@]1(C)CC(=O)N=C2C=CC=CN21)C1CCCC1 ZINC000004400648 GE Annotated Anodyne O=C(CN(C(=O)CCNC(=O)c1ccco1)c1ccccc1)NC1CCCC1 ZINC000004411467 GE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)[S@@](=O)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040378966 GE Annotated Bother O=[N+]([O-])c1cn2c(n1)[S@](=O)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040378967 GE Annotated Bother 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[C@]3(C2)[C@@H]1O ZINC000040379425 GE Annotated Mild in-vitro biogenic CCc1c(C)cc2c(c1O)C(=O)[C@H]1O[C@](C)(C(=O)OC)C(=O)C(C)(C)[C@H]1C2=O ZINC000040392071 GE Annotated Clean C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)C[C@H](OC(C)=O)C[C@]46[C@@H]([C@H]2C(=O)[C@H]1C[C@H]36)N(C)C5 ZINC000040392656 GE Annotated Mild CCN1CC(C)(C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)ncc32)C1=O ZINC000040393915 GE Annotated Anodyne CCN(CC)C(=O)c1c(OC2CCN(C)CC2)c2cccnc2n2cnnc12 ZINC000040393993 GE Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H](c1ccccc1)[C@@H]1O[C@H]2CC(=O)O[C@H]2[C@@H]1O ZINC000040395380 GE Annotated Anodyne CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccccc1)C2)S(C)(=O)=O ZINC000040395433 GE Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)nnn1Nc1ccc(Cl)cc1 ZINC000040395443 GE Annotated Reactive CCOC(=O)c1c2c(n(-c3ccc(O)cc3)c1N)C(=O)c1ncccc1C2=O ZINC000040395735 GE Annotated Clean NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c4c(Br)csc4c32)S1 ZINC000040403726 GE Annotated Clean Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)Cn3cc(C)c(=O)[nH]c3=O)C[C@@H]1O2 ZINC000040407342 GE Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)Cn3cc(C)c(=O)[nH]c3=O)C[C@@H]1O2 ZINC000040407345 GE Annotated Anodyne CCOP(=O)(OCC)C1=NN(CC)C2(C1=O)C(=O)c1ccccc1C2=O ZINC000040408355 GE Annotated Clean CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOC)nn2)O1 ZINC000040420731 GE Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN(C)C)nn2)O1 ZINC000040420786 GE Annotated Mild CC(C)(C)Cn1c(CN2CCC3(CC2)NC(=O)N=C3O)cc2cnc(C#N)nc21 ZINC000040422874 GE Annotated Mild N#Cc1cncnc1NC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000040423118 GE Annotated Mild COc1cc2c(c3c1c(=O)c1ccccc1n3C)C[C@H]([C@@](C)(O)COC(C)=O)O2 ZINC000040423494 GE Annotated Bother O=C1C2=C(C(=O)c3ncccc31)[C@]1(CS2)N=C(O)N(c2ccccc2)C1=O ZINC000040423709 GE Annotated Mild O=C1C2=C(C(=O)c3ncccc31)[C@@]1(CS2)N=C(O)N(c2ccccc2)C1=O ZINC000040423710 GE Annotated Mild Cc1cc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)ccc1[S@](C)=O ZINC000040424096 GE Annotated Anodyne Cc1cc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)ccc1[S@@](C)=O ZINC000040424097 GE Annotated Anodyne CCN(CC)CCNC(=O)c1cn2cc(I)ccc2n1 ZINC000040424600 GE Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12 ZINC000040428665 GE Annotated Anodyne O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cc(C(=O)O)cc3c2OCO3)o1 ZINC000040428784 GE Annotated Clean CN1CCN(c2ccc(-c3c(C#N)c(N)nc4nc(=S)[nH]c(O)c34)cc2)CC1 ZINC000040428796 GE Annotated Mild O=C(CC[C@@H](CC(=O)C(=O)O)C(=O)O)NCC(c1ccccc1)c1ccccc1 ZINC000040429342 GE Annotated Anodyne O=C(CC[C@H](CC(=O)C(=O)O)C(=O)O)NCC(c1ccccc1)c1ccccc1 ZINC000040429344 GE Annotated Anodyne CCNc1c(C(=O)N(CC)CC)c2nnc(CC(=O)OCC)n2c2ncccc12 ZINC000040430910 GE Annotated Anodyne COC(=O)N1c2c(ccc3c2OCO3)[C@]23[C@@H]1CC[C@]14CCCN(C[C@@H]2C(=O)C1)[C@H]34 ZINC000040461326 GE Annotated Anodyne COC(=O)N1c2c(ccc3c2OCO3)[C@]23[C@H]4N5CCC[C@@]4(CC[C@@H]12)CC(=O)[C@H]3C5 ZINC000040461327 GE Annotated Anodyne CCOC(=O)c1cccc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c1 ZINC000040466318 GE Annotated Mild CCOC(=O)c1cccc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c1 ZINC000040466320 GE Annotated Mild CCC/N=C(\NC#N)NCCSCCn1nc(-c2ccccc2)ccc1=O ZINC000040466556 GE Annotated Mild CC/N=C(\NC#N)NCCSCCCn1nc(-c2ccccc2)ccc1=O ZINC000040466648 GE Annotated Mild CN[C@H](C)[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040466687 GE Annotated Anodyne CN[C@@H](C)[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040466689 GE Annotated Anodyne CN[C@H](C)[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040466691 GE Annotated Anodyne C=CCc1cc(C)ccc1OCC(=O)NCCNC(=O)C1=CC(C)(C)NC1(C)C ZINC000040466926 GE Annotated Mild O=C1CC[C@@H](NC(=O)CCc2nc3ccccc3oc2=O)[C@H](c2ccsc2)N1 ZINC000040474907 GE Annotated Anodyne O=C(O)c1cn(-c2ccc(O)cc2)c2cc(N3C[C@H]4C[C@@H]3CN4)c(F)cc2c1=O ZINC000040533641 GE Annotated Anodyne COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCOCC2)c1 ZINC000040563926 GE Annotated Clean COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCNCC2)c1 ZINC000040564570 GE Annotated Clean COC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)N(C)C[C@@H]2CCCN32)C(=O)O1 ZINC000040565417 GE Annotated Anodyne COC[C@H]1CCCN1C1=C(C(=O)OC)[C@@]2(C(=O)OC)Sc3ccccc3[C@H]12 ZINC000040565893 GE Annotated Anodyne COc1ccc(Cn2cnc3ccc4nc(C5=NCCN5)sc4c3c2=O)cc1 ZINC000040566821 GE Annotated Anodyne CNC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)SC[C@@H]2CCCN32)C(=O)O1 ZINC000040568663 GE Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC(=O)N1CCCC1)N1CCCC1 ZINC000040632086 GE Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CC(=O)N1CCCC1)N1CCCC1 ZINC000040632088 GE Annotated Anodyne CCOC(=O)c1cnc2n(c1=O)[C@H](C)CC/C2=N\Nc1ccccc1C(=O)O ZINC000040632308 GE Annotated Mild CCOC(=O)c1cnc2n(c1=O)[C@@H](C)CC/C2=N\Nc1ccccc1C(=O)O ZINC000040632310 GE Annotated Mild COc1cccc(OC)c1OC(=O)[C@@H](CC(=O)N1CCCC1)N1CCCC1 ZINC000040632437 GE Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@H](CC(=O)N1CCCC1)N1CCCC1 ZINC000040632439 GE Annotated Anodyne Cc1cc(Cl)ccc1OCC(=O)NCCNC(=O)C1=CC(C)(C)NC1(C)C ZINC000040639597 GE Annotated Anodyne CC1(C)C=C(C(=O)NCCCNC(=O)CSc2ccccc2)C(C)(C)N1 ZINC000040639906 GE Annotated Anodyne CCOC(=O)c1cnc2n(c1=O)[C@H](C)CC/C2=N\Nc1ccc(C(=O)O)cc1 ZINC000040640142 GE Annotated Mild CCOC(=O)c1cnc2n(c1=O)[C@@H](C)CC/C2=N\Nc1ccc(C(=O)O)cc1 ZINC000040640145 GE Annotated Mild COc1cc(CNCCNC(=O)C2=CC(C)(C)NC2(C)C)cc(OC)c1OC ZINC000040641282 GE Annotated Anodyne O=C1NC[C@@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)/C=C/c1ccccc1 ZINC000040651202 GE Annotated Mild O=C1NC[C@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)/C=C/c1ccccc1 ZINC000040651203 GE Annotated Mild O=C1C[C@@H](Cc2ccccc2)NC(=O)N1OS(=O)(=O)/C=C/c1ccccc1 ZINC000040651510 GE Annotated Mild O=C1C[C@H](Cc2ccccc2)NC(=O)N1OS(=O)(=O)/C=C/c1ccccc1 ZINC000040651512 GE Annotated Mild CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)c(O)cc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 ZINC000040828997 GE Annotated Anodyne in-vitro O=C1[C@@]2(CO2)[C@H]2C[C@@H](c3ccccc3)[C@]1(CO)C=C2I ZINC000040829306 GE Annotated Anodyne O=C1[C@@]2(CO2)[C@H]2C[C@H](c3ccccc3)[C@]1(CO)C=C2I ZINC000040829308 GE Annotated Anodyne CCCCSc1nc(N)c2[nH]c(=O)c(=O)n(Cc3c(F)cccc3F)c2n1 ZINC000040835810 GE Annotated Anodyne COC(=O)Nc1nc(N(C)C)c(C(=O)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000040845186 GE Annotated Anodyne CCC(=O)NC[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2)C(=O)O1 ZINC000040848667 GE Annotated Anodyne COC(=O)c1ccc(-c2c(C#N)[n+]([O-])c3cc(C(F)(F)F)ccc3[n+]2[O-])cc1 ZINC000040859925 GE Annotated Mild CC(C)c1ccc(CCNS(=O)(=O)c2cc(/C(N)=N/O)ccc2O)cc1 ZINC000040860026 GE Annotated Mild CCN(CCNc1cc2c(cc1N)c(=O)c(C(=O)O)cn2C)c1ccccn1 ZINC000040860703 GE Annotated Anodyne CC(C)[C@H]1C(=O)/C(=C2\NS(=O)(=O)c3ccccc32)C(=O)N1Cc1ccccc1 ZINC000040865443 GE Annotated Mild COC(=O)c1c2c(n(-c3ccc(OC)cc3)c1N)C(=O)c1ncccc1C2=O ZINC000040866444 GE Annotated Clean CCOC(=O)c1c2c(n(-c3ccc(OC)cc3)c1N)C(=O)c1ncccc1C2=O ZINC000040875362 GE Annotated Clean COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O)[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000040878812 GE Annotated Mild CCO[C@@H](C1=C[C@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](OC)[C@@H](O)COC ZINC000040879521 GE Annotated Anodyne CCO[C@@H](C1=C[C@@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](OC)[C@@H](O)COC ZINC000040879525 GE Annotated Anodyne CCO[C@@H](C1=C[C@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1)[C@H](OC)[C@@H](O)COC ZINC000040879528 GE Annotated Anodyne CCO[C@@H](C1=C[C@@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1)[C@H](OC)[C@@H](O)COC ZINC000040879532 GE Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1[C@H]([C@@H](O)c2ccccc2)O[C@H]2CC(=O)O[C@H]21 ZINC000040879590 GE Annotated Anodyne CCOC(=O)/C(=C/N1CCN(C(=O)c2ccco2)C1=O)C(=O)c1ccccc1 ZINC000040892591 GE Annotated Mild C=CC[C@]12C[C@H](OC)[C@@H](O)[C@](OC)([C@@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@@H]2O ZINC000040896196 GE Annotated Mild O=C1[C@@H]2C=C(I)[C@@H](C[C@@H]2OCCCCCCO)[C@]12CO2 ZINC000040899281 GE Annotated Anodyne O=C1[C@H]2C=C(I)[C@H](C[C@@H]2OCCCCO)[C@]12CCCO2 ZINC000040900015 GE Annotated Anodyne O=C1[C@H]2C=C(I)[C@H](C[C@H]2OCCCCO)[C@]12CCCO2 ZINC000040900018 GE Annotated Anodyne S=c1n(CNCCN2CCOCC2)nc(-c2ccncc2)n1-c1ccccc1 ZINC000040913722 GE Annotated Anodyne CCOC(=O)C1=NN(CC)C2(C(=O)c3ccccc3C2=O)[P@]1(=O)OCC ZINC000040917091 GE Annotated Clean CCOC(=O)C1=NN(CC)C2(C(=O)c3ccccc3C2=O)[P@@]1(=O)OCC ZINC000040917093 GE Annotated Clean Cc1nc(N2CCN(C)CC2)c([N+](=O)[O-])n1CC(=O)c1ccc(Cl)cc1 ZINC000040917553 GE Annotated Bother CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2NC(=O)CCc2ccccc2)O1 ZINC000040918438 GE Annotated Anodyne COC(=O)c1cc(OC)c(OC)c(OC)c1-c1cc2c(cc1CO)OCO2 ZINC000040918705 GE Annotated Anodyne N=C1N[C@H]2n3c(cc(Br)c3-c3ccccc3)C(=O)N3CCC[C@]23N1 ZINC000040918748 GE Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](C)C2=CC(=O)c3c(O)ccc(O)c3C2=O)cc1 ZINC000040933367 GE Annotated Mild Cc1ccc(S(=O)(=O)N[C@H](C)C2=CC(=O)c3c(O)ccc(O)c3C2=O)cc1 ZINC000040933369 GE Annotated Mild Cc1ccccc1S(=O)(=O)N[C@@H](C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040933371 GE Annotated Mild Cc1ccccc1S(=O)(=O)N[C@H](C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040933373 GE Annotated Mild O=[N+]([O-])c1cn2c(n1)[S@@](=O)C[C@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040933727 GE Annotated Bother O=[N+]([O-])c1cn2c(n1)[S@](=O)C[C@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040933729 GE Annotated Bother C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@H](C)CC)[C@](O)(C(=O)C[C@@H](C)OC)[C@@H](C)CC[C@H]12 ZINC000040935039 GE Annotated Mild C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@@H](C)CC)[C@](O)(C(=O)C[C@@H](C)OC)[C@@H](C)CC[C@H]12 ZINC000040935041 GE Annotated Mild C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@H](C)CC)[C@](O)(C(=O)C[C@H](C)OC)[C@@H](C)CC[C@H]12 ZINC000040935043 GE Annotated Mild C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@@H](C)CC)[C@](O)(C(=O)C[C@H](C)OC)[C@@H](C)CC[C@H]12 ZINC000040935045 GE Annotated Mild C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@H](OC)O2 ZINC000040935249 GE Annotated Clean C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@@H](OC)O2 ZINC000040935251 GE Annotated Clean CN1C(=O)[C@H]2[C@@H](N=C(/C=C/c3cccc(Br)c3)N2C)N(C)C1=O ZINC000040943743 GE Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](N=C(/C=C/c3cccc(Br)c3)N2C)N(C)C1=O ZINC000040943745 GE Annotated Anodyne CN1C(=O)[C@H]2[C@H](N=C(/C=C/c3cccc(Br)c3)N2C)N(C)C1=O ZINC000040943747 GE Annotated Anodyne CN1C(=O)[C@@H]2[C@H](N=C(/C=C/c3cccc(Br)c3)N2C)N(C)C1=O ZINC000040943749 GE Annotated Anodyne Cc1ccc(N2C(=O)[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040949471 GE Annotated Mild Cc1ccc(N2C(=O)N[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)C2=O)cc1 ZINC000040949473 GE Annotated Mild C/C=C/[C@@H](OC(=O)[C@H](C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000040949711 GE Annotated Anodyne O=CN1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc21 ZINC000040949803 GE Annotated Bother CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)Cc1ccccc12 ZINC000040950106 GE Annotated Anodyne COc1cc(S(=O)(=O)N(C)Cc2ccccc2)c(OC)c2c1CCNCC2 ZINC000040951690 GE Annotated Anodyne CN(C)CCCNc1c(N)cc2c3c(cccc13)C(=O)N(CCCN(C)C)C2=O ZINC000040952177 GE Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1c2cc(F)ccc2NC(=O)[C@H]1C ZINC000040953269 GE Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1c2cc(F)ccc2NC(=O)[C@@H]1C ZINC000040953271 GE Annotated Anodyne O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2cccc(Cl)c2)C1 ZINC000040953817 GE Annotated Anodyne O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2ccc(Cl)cc2)C1 ZINC000040953819 GE Annotated Anodyne CC1=NN(c2ccc(OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc2)C(=O)C1 ZINC000040954007 GE Annotated Anodyne CC1=NN(c2ccc(OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc2)C(=O)C1 ZINC000040954009 GE Annotated Anodyne COc1c(O)cc2c(c1OC)-c1cc3c(cc1C(=O)[C@H]1COC(=O)[C@@H]1C2)OCO3 ZINC000040955433 GE Annotated Anodyne O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2ccccc2Cl)C1 ZINC000040956376 GE Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(O)c12 ZINC000040956496 GE Annotated Anodyne N#Cc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000040972284 GE Annotated Mild CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@H]3OC(C)=O ZINC000040972799 GE Annotated Anodyne COC(=O)C1=C2Nc3cc(OC)c(O)cc3[C@@]23CCN2CC[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000040972906 GE Annotated Anodyne in-vitro COc1ccc(-c2n[nH]c(=O)c(Cc3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000040972911 GE Annotated Anodyne CC[C@]12C=CC(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(O)cc14)[C@@H]32 ZINC000040973126 GE Annotated Anodyne in-vitro COC1(OC)CC[C@@H]2O[C@]2(CO)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 ZINC000040973381 GE Annotated Anodyne CC[C@@H](C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)/C=C/OC ZINC000040973919 GE Annotated Mild in-vivo CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCC(=O)OC ZINC000040977352 GE Annotated Anodyne CCN(CC)CCNC(=O)c1cnc2cc(I)ccc2n1 ZINC000040977568 GE Annotated Anodyne CCN(CC)CCNC(=O)c1ccc2cncc(I)c2n1 ZINC000040977570 GE Annotated Anodyne CCN(CC)CCNC(=O)c1nc2cc(I)ccc2[nH]1 ZINC000040980385 GE Annotated Anodyne C/C=C(/C)C(=O)OC[C@@H]1C2=C(C=CN1/C=C/C(C)=O)C(=O)C(C)=C(OC)C2=O ZINC000042875959 GE Annotated Mild C/C=C(/C)C(=O)OC[C@H]1C2=C(C=CN1/C=C/C(C)=O)C(=O)C(C)=C(OC)C2=O ZINC000042875963 GE Annotated Mild CNCc1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCCOC ZINC000042887357 GE Annotated Mild COc1cc2c(c3c1c(=O)c1ccccc1n3C)C[C@H]([C@](C)(O)COC(C)=O)O2 ZINC000042889178 GE Annotated Bother O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cccc(I)c1 ZINC000042892455 GE Annotated Clean Cc1n[nH]cc1/C=N/n1c(-c2ccccc2)nn(CN2CCN(C)CC2)c1=S ZINC000042923796 GE Annotated Mild Cc1ccc(-c2nn(Cc3n[nH]c(=S)n3-c3ccc(F)cc3)c(=O)n2N)cc1 ZINC000042990119 GE Annotated Anodyne CSc1nnc(Cn2nc(-c3ccc(C)cc3)n(N)c2=O)n1-c1ccccc1 ZINC000043009282 GE Annotated Anodyne Cc1ccc(-c2nn(Cc3nnc(N(C)c4ccccc4)s3)c(=O)n2N)cc1 ZINC000043011613 GE Annotated Anodyne O=C(O)C(=O)N(c1ccccc1C(=O)O)c1ccccc1N1CCC(CO)CC1 ZINC000043012068 GE Annotated Anodyne CCOc1ccc2c(c1)n1ncc(C(=O)OCc3ccccc3OC)c1n[n+]2[O-] ZINC000043016543 GE Annotated Anodyne Cc1nn(CN2CCN(C)CC2)c(=S)n1/N=C/c1c[nH]nc1-c1ccccc1 ZINC000043018564 GE Annotated Mild CCOc1cc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)ccc1C#N ZINC000043021465 GE Annotated Mild Cc1ccc(-c2nn(Cc3nnc(Nc4ccccc4)s3)c(=O)n2N)cc1 ZINC000043022751 GE Annotated Anodyne O=C(NC[C@@H](O)CO/N=C(\Cl)c1nc2ccccc2o1)N1CCCCC1 ZINC000043023936 GE Annotated Mild O=C(NC[C@H](O)CO/N=C(\Cl)c1nc2ccccc2o1)N1CCCCC1 ZINC000043023938 GE Annotated Mild O=C(Cn1cccc(NCc2ccccc2)c1=O)N[C@H](CO)c1ccccc1 ZINC000043024507 GE Annotated Anodyne Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000043062484 GE Annotated Bother CO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCCO)c2cnccc21 ZINC000043063340 GE Annotated Mild NCC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043064177 GE Annotated Reactive CCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21 ZINC000043067824 GE Annotated Anodyne Cc1ccc(-c2nn(Cc3n[nH]c(=S)n3-c3ccccc3)c(=O)n2N)cc1 ZINC000043067892 GE Annotated Anodyne Cc1ccc(S(=O)(=O)c2c[nH]cc2S(=O)(=O)Cc2n[nH]c(=S)o2)cc1 ZINC000043069285 GE Annotated Anodyne C=CCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21 ZINC000043069957 GE Annotated Mild Cn1c(S)n[n+]2c(N)c(C#N)c(-c3ccc(N4CCCCC4)cc3)c(C#N)c12 ZINC000043076356 GE Annotated Mild CC(=O)Oc1ccccc1C(=O)OCOC(=O)CCCCCCO[N+](=O)[O-] ZINC000043076776 GE Annotated Anodyne NNC(=O)CNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043080776 GE Annotated Reactive Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(C#N)c1)C1=C(N2)c2ccccc2C1=O ZINC000043119873 GE Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(C#N)c1)C1=C(N2)c2ccccc2C1=O ZINC000043119874 GE Annotated Mild CO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCCO)c2ncccc21 ZINC000043120138 GE Annotated Mild CCCn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21 ZINC000043123627 GE Annotated Anodyne O=S(=O)(C1CC1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000043197822 GE Annotated Reactive Cc1cc(C)c2cc1C(=O)NCCCCNC(=O)CCSc1cc-2nc(N)n1 ZINC000043200419 GE Annotated Anodyne Cc1cc(C)c2cc1C(=O)NCCCNC(=O)CCSc1cc-2nc(N)n1 ZINC000043200420 GE Annotated Anodyne in-vivo CCn1c(C(=O)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)n(COC(C)=O)c1=O ZINC000043202166 GE Annotated Mild O=C([C@@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCC2)CC1 ZINC000043202371 GE Annotated Anodyne O=C([C@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCC2)CC1 ZINC000043202372 GE Annotated Anodyne CN1CCN(C(=O)N2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000043543975 GE Annotated Reactive CCS(=O)(=O)CCN1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000043552736 GE Annotated Reactive CN(C)/[N+]([O-])=N/Oc1cc(OC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043617441 GE Annotated Reactive O=C(N1CCOCC1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000043617584 GE Annotated Reactive O=C(N1CCOCC1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000044018520 GE Annotated Reactive O=C1CN(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CCN1 ZINC000044221416 GE Annotated Reactive O=[N+]([O-])c1ccc(NC(=S)N/N=C/c2ccc([N+](=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000044418220 GE Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccco2)C1 ZINC000004545960 GE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccco2)C1 ZINC000004545961 GE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccco2)C1 ZINC000004545962 GE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N(C(=O)c2ccco2)C1 ZINC000004545963 GE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccco2)C1 ZINC000004545968 GE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccco2)C1 ZINC000004545969 GE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccco2)C1 ZINC000004545970 GE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c2ccco2)C1 ZINC000004545971 GE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546804 GE Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546808 GE Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546810 GE Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)Cc2ccccc2OC)C1 ZINC000004546812 GE Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccco2)C1 ZINC000004547581 GE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccco2)C1 ZINC000004547582 GE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccco2)C1 ZINC000004547586 GE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)c2ccco2)C1 ZINC000004547591 GE Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3ccco3)C2)c1 ZINC000004548023 GE Annotated Mild COc1cccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3ccco3)C2)c1 ZINC000004548027 GE Annotated Mild COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3ccco3)C2)c1 ZINC000004548031 GE Annotated Mild COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3ccco3)C2)c1 ZINC000004548036 GE Annotated Mild Cc1sc2ncnc(N3CCC(C)CC3)c2c1S(=O)(=O)N1CCOCC1 ZINC000004563244 GE Annotated Anodyne CCOCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@H]12 ZINC000004563937 GE Annotated Anodyne CCOCCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@H]12 ZINC000004563938 GE Annotated Anodyne CCOCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@@H]12 ZINC000004563941 GE Annotated Anodyne CCOCCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@@H]12 ZINC000004563943 GE Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NC[C@@H]1CCCO1)[C@H]1CCCCN1C2=O ZINC000004563956 GE Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NC[C@@H]1CCCO1)[C@@H]1CCCCN1C2=O ZINC000004563958 GE Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@@H]1CCCO1)[C@H]1CCCCN1C2=O ZINC000004563960 GE Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@@H]1CCCO1)[C@@H]1CCCCN1C2=O ZINC000004563963 GE Annotated Anodyne CCS(=O)(=O)NCCc1sc2nc(-c3ccc(OC)cc3)nn2c1C ZINC000004570277 GE Annotated Anodyne Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000004575816 GE Annotated Anodyne Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000004575821 GE Annotated Anodyne O=C(NCCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000004576172 GE Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000004576174 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000004576177 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000004576178 GE Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000004576182 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@]23C=C[C@H]1O3 ZINC000004576234 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2 ZINC000004576236 GE Annotated Anodyne Cc1cc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3sccc32)[nH]n1 ZINC000004597543 GE Annotated Anodyne NC(=O)c1ccc(NC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1 ZINC000004598459 GE Annotated Anodyne Cc1ccc(C)c(Cn2nnc3c(O)nc(C(=O)NCc4ccco4)nc32)c1 ZINC000004620514 GE Annotated Anodyne COC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000004660566 GE Annotated Anodyne COC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000004660581 GE Annotated Anodyne Cc1ccc(C2=NN(CC(=O)N3CCN(c4ccccn4)CC3)C(=O)CC2)cc1 ZINC000004708498 GE Annotated Anodyne O=C(CCS(=O)(=O)Cc1cccc(Cl)c1)N1CCC2(CC1)OCCO2 ZINC000004711568 GE Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1c[nH]c2ccccc12 ZINC000004729137 GE Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1c[nH]c2ccccc12 ZINC000004729144 GE Annotated Anodyne O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)NCc1ccco1 ZINC000004790492 GE Annotated Anodyne CC(=O)N1CC2(c3ccccc3)CN(C(C)=O)CC(c3ccccc3)(C1)C2=O ZINC000004825926 GE Annotated Anodyne Cc1ccc2cc3c(N)c(C(=O)Nc4c(C)[nH]c(=O)[nH]c4=O)sc3nc2c1 ZINC000004848759 GE Annotated Anodyne COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc2cccnc21 ZINC000004853594 GE Annotated Anodyne Cn1c(=O)c2sccc2n2c(CCCC(=O)NCc3ccc(F)cc3)nnc12 ZINC000004878339 GE Annotated Anodyne COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc(C)c(=O)[nH]c3=O)n2)c1 ZINC000004881465 GE Annotated Anodyne CC(=O)Oc1ccc(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)O)cc1C(=O)O ZINC000004891365 GE Annotated Anodyne CC(=O)Oc1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)O)cc1C(=O)O ZINC000004891369 GE Annotated Anodyne CC(=O)Oc1ccc(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)O)cc1C(=O)O ZINC000004891372 GE Annotated Anodyne CC(=O)Oc1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)O)cc1C(=O)O ZINC000004891377 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(C=O)[C@]15CC2)[C@@H]43 ZINC000004896086 GE Annotated Anodyne COCC(=O)N(CCN(C)C)Cc1cc2cc3c(cc2nc1Cl)OCO3 ZINC000004898763 GE Annotated Anodyne O=C(Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2ccccc21)NC1CCCC1 ZINC000004906119 GE Annotated Anodyne CCCN1CCN(C(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)CC1 ZINC000004920095 GE Annotated Anodyne O=C(O)c1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC2(CC1)OCCO2 ZINC000004920374 GE Annotated Anodyne CC(C)CCNC(=O)C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1 ZINC000004956129 GE Annotated Anodyne CC(C)(C)NC(=O)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1 ZINC000004956346 GE Annotated Anodyne CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3F)ccc21 ZINC000004958874 GE Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3nc(C)cs3)ccc21 ZINC000004971598 GE Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NC3CCCCC3)ccc21 ZINC000004971610 GE Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC[C@@H](C)C3)ccc21 ZINC000004971616 GE Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC[C@H](C)C3)ccc21 ZINC000004971617 GE Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccco3)ccc21 ZINC000004971698 GE Annotated Anodyne O=C(N/N=C1\C/C(=N\NC(=O)c2ccncc2)c2ccccc21)c1ccncc1 ZINC000004979866 GE Annotated Reactive CCn1ncc2c(NC3CCOCC3)c(CNC(=O)c3ccnn3C)c(C)nc21 ZINC000045166996 GE Annotated Anodyne Cn1cncc1C(=O)N[C@@H]1CCN(c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000045168707 GE Annotated Anodyne Cn1cncc1C(=O)N[C@H]1CCN(c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000045168709 GE Annotated Anodyne CCOC(=O)c1cc(Cl)ccc1OCCCON1C(=N)NC(=N)NC1(C)C ZINC000045187969 GE Annotated Anodyne CC(=O)NC/C(O)=N/C1=NC(=N)N(OCc2ccc3ccccc3c2)C(C)(C)N1 ZINC000045189139 GE Annotated Mild N#Cc1cc([N+](=O)[O-])ccc1-n1nc(C(N)=O)n(Cc2cccc(F)c2)c1=S ZINC000045190432 GE Annotated Mild CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(C)cnc12 ZINC000045245507 GE Annotated Anodyne C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2C(F)(F)F)n1 ZINC000045245522 GE Annotated Anodyne C[C@H]1Cn2cc(-c3c(F)cc4c5c3OC[C@H](C)N5C[C@H](C(=O)O)C4=O)cc2CN1 ZINC000045253444 GE Annotated Anodyne C[C@H]1Cn2cc(-c3c(F)cc4c5c3OC[C@H](C)N5C[C@@H](C(=O)O)C4=O)cc2CN1 ZINC000045253446 GE Annotated Anodyne C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1 ZINC000045255176 GE Annotated Anodyne O=C(O)Cc1cs/c(=N\C(=O)S(=O)(=O)c2ccc3ccccc3c2)n1O ZINC000045255209 GE Annotated Anodyne Cn1c(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cnc1-c1ccc(C#N)cc1 ZINC000045255848 GE Annotated Mild CN(CS(=O)(=O)O)c1ccc(/N=N/c2cccc(S(N)(=O)=O)c2)cc1 ZINC000045257277 GE Annotated Clean C/C(O)=N/S(=O)(=O)c1ccc(-c2ccn(C(F)F)c(=O)c2)cc1C(=O)O ZINC000045286582 GE Annotated Mild COc1c(-c2cc3n(c2)CCNC3)c(F)cc2c1N(C1CC1)C[C@H](C(=O)O)C2=O ZINC000045290119 GE Annotated Anodyne COc1c(-c2cc3n(c2)CCNC3)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O ZINC000045290122 GE Annotated Anodyne C[C@@H]1NCCn2cc(-c3nc4c(cc3F)C(=O)[C@@H](C(=O)O)CN4C3CC3)cc21 ZINC000045290125 GE Annotated Anodyne C[C@@H]1NCCn2cc(-c3nc4c(cc3F)C(=O)[C@H](C(=O)O)CN4C3CC3)cc21 ZINC000045290128 GE Annotated Anodyne Cc1ccc(NC(=O)c2c3nc(/C=C\C(=O)O)[nH]c(=O)c3c3n2CCC3)cc1 ZINC000045300193 GE Annotated Anodyne C[C@@H]1NCCn2cc(-c3c(F)cc4c5c3OC[C@H](C)N5C[C@H](C(=O)O)C4=O)cc21 ZINC000045300416 GE Annotated Anodyne C[C@@H]1NCCn2cc(-c3c(F)cc4c5c3OC[C@H](C)N5C[C@@H](C(=O)O)C4=O)cc21 ZINC000045300418 GE Annotated Anodyne CC/N=C1\NC(=O)[C@H](CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)S1 ZINC000045300586 GE Annotated Mild CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)S1 ZINC000045300588 GE Annotated Mild Cc1ccc(NC(=O)c2c3nc(CCC(=O)O)[nH]c(=O)c3c3n2CCC3)cc1 ZINC000045302099 GE Annotated Anodyne C/C(O)=N/S(=O)(=O)c1cc(-c2ccn(C(F)F)c(=O)c2)ccc1C(=O)O ZINC000045302124 GE Annotated Mild COc1ccc(-c2nc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cs2)cn1 ZINC000045315318 GE Annotated Bother COC(=O)NCCNC(=O)CO[C@H](c1cccs1)c1cccnc1Cl ZINC000045315514 GE Annotated Anodyne COC(=O)NCCNC(=O)CO[C@@H](c1cccs1)c1cccnc1Cl ZINC000045315519 GE Annotated Anodyne C[C@H]1Cn2cc(-c3nc4c(cc3F)C(=O)[C@@H](C(=O)O)CN4C3CC3)cc2CN1 ZINC000045316202 GE Annotated Anodyne C[C@H]1Cn2cc(-c3nc4c(cc3F)C(=O)[C@H](C(=O)O)CN4C3CC3)cc2CN1 ZINC000045316206 GE Annotated Anodyne CCCCC(=O)O[C@@H]1CO[C@@H]2[C@@H](OC(=O)c3ccccc3OC(C)=O)CO[C@H]12 ZINC000045324072 GE Annotated Anodyne C=CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O ZINC000045349503 GE Annotated Mild O=S(=O)(c1ccccc1)N1CCN(Cc2ccc3cccnc3c2O)CC1 ZINC000045350752 GE Annotated Clean CCN(CC)CC(=O)Nc1ccc([C@@]2(c3ccccc3)NC(=O)NC2=O)cc1 ZINC000045354001 GE Annotated Anodyne CCN(CC)CC(=O)Nc1ccc([C@]2(c3ccccc3)NC(=O)NC2=O)cc1 ZINC000045354005 GE Annotated Anodyne CS(=O)(=O)c1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(F)c32)cc1 ZINC000045355609 GE Annotated Anodyne Nc1nc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c2ccsc2n1 ZINC000045364691 GE Annotated Anodyne COc1ccc(-c2noc(C(=O)N/N=C/c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000045366919 GE Annotated Reactive C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)c(OC)cc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC ZINC000045369043 GE Annotated Anodyne O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2/C(=N/OC(=O)c3ccccc3)CO[C@H]12 ZINC000045370833 GE Annotated Mild O=C1C2=C(OC[C@@H]3c4cc5c(cc4O[C@H]23)OCO5)C(=O)c2c1ccc(O)c2O ZINC000045374947 GE Annotated Mild Cc1ccc(Nc2nc(N)nc(CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1 ZINC000045385915 GE Annotated Anodyne CC(=O)Nc1ccc(/C=N/NC(=O)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000045387771 GE Annotated Reactive COc1ccc(C2=NC3=C4C=C(Cl)C=C[C@@H]4OC(=O)[C@@H]3C(NC(C)=O)=N2)cc1 ZINC000045391984 GE Annotated Anodyne COc1ccc(C2=NC3=C4C=C(Cl)C=C[C@H]4OC(=O)[C@@H]3C(NC(C)=O)=N2)cc1 ZINC000045391987 GE Annotated Anodyne COc1ccc(C2=NC3=C4C=C(Cl)C=C[C@@H]4OC(=O)[C@H]3C(NC(C)=O)=N2)cc1 ZINC000045391991 GE Annotated Anodyne COc1ccc(C2=NC3=C4C=C(Cl)C=C[C@H]4OC(=O)[C@H]3C(NC(C)=O)=N2)cc1 ZINC000045391994 GE Annotated Anodyne CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN(C)C)o1 ZINC000045497196 GE Annotated Anodyne CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2 ZINC000045505870 GE Annotated Anodyne N#CCN1C(=O)N(Cc2cccc(Br)c2)S(=O)(=O)n2cccc21 ZINC000473082954 GE Annotated Mild CN(Cc1cccc(F)c1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473085970 GE Annotated Anodyne COc1ccc(CN=c2nc(Cl)[nH]c(=Nc3ccccc3CCO)[nH]2)cc1 ZINC000473086902 GE Annotated Anodyne O=C(NNC(=O)[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1cccs1)c1ccncc1 ZINC000473088608 GE Annotated Reactive CN(Cc1ccc(F)cc1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473089060 GE Annotated Anodyne O=C(N1CCc2ccccc2C1)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473090905 GE Annotated Anodyne O=C(NNC(=O)[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccncc1)c1ccccc1 ZINC000473094117 GE Annotated Reactive CN(Cc1cccc(C#N)c1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473094912 GE Annotated Mild CN(Cc1ccccc1F)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473096795 GE Annotated Anodyne Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OC[C@@H]3CC[C@@H](O)CC3)c2nc1O ZINC000473098161 GE Annotated Anodyne CN(C)C[C@@H]1Cc2ccccc2[C@@]2(C)C[C@]3(C(=O)Nc4cc(N)ccc43)C(=O)N12 ZINC000473119576 GE Annotated Anodyne CN(C)C[C@@H]1Cc2ccccc2[C@@]2(C)C[C@@]3(C(=O)Nc4cc(N)ccc43)C(=O)N12 ZINC000473119583 GE Annotated Anodyne C[C@H](C(=O)N1C=CN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)CCC1=O ZINC000473131281 GE Annotated Anodyne C[C@@H](C(=O)N1C=CN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)CCC1=O ZINC000473131282 GE Annotated Anodyne Cc1nn(C)cc1OC[C@]1(c2ccccc2)C[C@H]1C(=O)N=c1ccc(C#N)c[nH]1 ZINC000473134106 GE Annotated Mild Cc1nn(C)cc1OC[C@]1(c2ccccc2)C[C@@H]1C(=O)N=c1ccc(C#N)c[nH]1 ZINC000473134107 GE Annotated Mild Cc1nn(C)cc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)N=c1ccc(C#N)c[nH]1 ZINC000473134108 GE Annotated Mild Cc1nn(C)cc1OC[C@@]1(c2ccccc2)C[C@@H]1C(=O)N=c1ccc(C#N)c[nH]1 ZINC000473134109 GE Annotated Mild CCCCCCC[C@H]1NC(=N)N2CCCC2=C1C(=O)OCCCCNC(=N)N ZINC000473134845 GE Annotated Mild NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1 ZINC000473135378 GE Annotated Reactive NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccco1 ZINC000473135382 GE Annotated Reactive NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1 ZINC000473135383 GE Annotated Reactive NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccco1 ZINC000473135384 GE Annotated Reactive CN1CCC[C@@H](CN=c2[nH]c(Nc3cccc(-n4ccnn4)c3)ncc2F)C1 ZINC000473135648 GE Annotated Anodyne O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCCC1)c1ccccn21 ZINC000473137213 GE Annotated Clean COC(=O)[C@]1(C)CCC[C@]2(CO)[C@H]3C[C@@]4(O)OC(=O)C=C4[C@H](C)[C@@H]3CC[C@@H]21 ZINC000473144295 GE Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(CO)[C@H]3C[C@@]4(O)OC(=O)C=C4[C@H](C)[C@@H]3CC[C@H]21 ZINC000473144305 GE Annotated Anodyne O=[N+]([O-])c1ccc(COc2c(O)cc(CN=c3nn[nH][nH]3)cc2Cl)cc1 ZINC000473147459 GE Annotated Bother COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000473148650 GE Annotated Bother COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 ZINC000473150219 GE Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1cccc(C(=O)O)c1 ZINC000473150926 GE Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000473151566 GE Annotated Bother COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] ZINC000473152905 GE Annotated Bother CCOC(=O)c1csc(-c2nc(C(C)(C)C)[nH]c3nc(=N)c(C#N)c(N)c2-3)n1 ZINC000473153718 GE Annotated Mild CCOC(=O)[C@H]1[C@H](C(=O)OCC)C12C(=O)Nc1ccc(Br)cc12 ZINC000473153962 GE Annotated Anodyne CCOC(=O)c1cnc(-c2nc(C(C)(C)C)[nH]c3nc(=N)c(C#N)c(N)c2-3)s1 ZINC000473155009 GE Annotated Mild C/C=C/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c1cc(OC)cc(OC)c1C(=O)OC ZINC000473158164 GE Annotated Mild Cn1cc(NC(=O)c2ccc3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]n23)c(Cl)n1 ZINC000473158263 GE Annotated Anodyne CN(CC(=O)c1c(-c2ccco2)[nH]c2ccccc12)CC(=O)N1CCOCC1 ZINC000473161115 GE Annotated Anodyne CCCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2ON=C(Br)[C@@H]2C1 ZINC000473161125 GE Annotated Anodyne CCCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2ON=C(Br)[C@H]2C1 ZINC000473161130 GE Annotated Anodyne CCCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2C(Br)=NO[C@H]2C1 ZINC000473161132 GE Annotated Anodyne CCCOC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2ON=C(Br)[C@@H]2C1 ZINC000473161133 GE Annotated Anodyne Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C#N)n1 ZINC000473161137 GE Annotated Mild Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)c(-n2ccnn2)n1 ZINC000473162466 GE Annotated Anodyne Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)no1 ZINC000473164977 GE Annotated Mild Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccncc2)C3)n1 ZINC000473180536 GE Annotated Anodyne C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2CC2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473199261 GE Annotated Mild C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2CC2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473199262 GE Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC2CC2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473199263 GE Annotated Mild CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CC(=O)C(N)=O)C2=O)cc1 ZINC000473240691 GE Annotated Anodyne C/C=C1\CN(C=O)[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000473247431 GE Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)c1ccccc1 ZINC000473247964 GE Annotated Anodyne CCCc1cc(=O)n2[nH]c(=NCc3ccc(Br)cn3)c(C#N)c2[nH]1 ZINC000473248904 GE Annotated Mild C[C@H]1CN(c2ccc(C#N)cn2)CC[C@H]1Nc1c(C(N)=O)c[nH]c2nccc1-2 ZINC000474603864 GE Annotated Mild C#CCN(c1ccccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000474606874 GE Annotated Mild CC(=O)OC[C@@H]1C=C[C@H](n2cc(-c3cc(-c4ccccc4)on3)c(O)nc2=O)O1 ZINC000474607702 GE Annotated Anodyne CCN1CCN(C(=O)c2c(/C=C3/C(=O)ON=C3C)c3cc(F)ccc3n2C)CC1 ZINC000474609341 GE Annotated Mild C#CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000474609796 GE Annotated Mild NC(N)c1ccc(SCCOCCSc2ccc(C(N)N)cc2)cc1 ZINC000474609806 GE Annotated Anodyne Cc1cc(C)n2nc(/C(O)=N/S(=O)(=O)c3ccc(C(F)(F)F)cc3)nc2n1 ZINC000048613682 GE Annotated Mild CO[C@H](C)[C@H]1[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000049019503 GE Annotated Anodyne OC[C@H]1O[C@H](n2c(Cl)c(/C=N/O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000049020263 GE Annotated Mild CCOC[C@]1(CN2CCOCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049033347 GE Annotated Anodyne CCOC[C@@]1(CN2CCOCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049033349 GE Annotated Anodyne COc1ccncc1C1=NN=C(O)/C1=N\Nc1ccc(N2CCOCC2)cc1 ZINC000049034803 GE Annotated Mild NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CC[C@H](O)CO ZINC000049035429 GE Annotated Anodyne O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@@H](C2CC2)c2cn[nH]c21 ZINC000049035840 GE Annotated Anodyne O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](C2CC2)c2cn[nH]c21 ZINC000049035842 GE Annotated Anodyne COc1ccc(N/N=C2\C(=O)NN=C2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000049036662 GE Annotated Mild CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O ZINC000049037077 GE Annotated Anodyne O=C(CO)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)cc(F)c21 ZINC000049037162 GE Annotated Anodyne CNC(=O)CNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000049037190 GE Annotated Anodyne CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccc(C(C)(C)C)cc1 ZINC000049045282 GE Annotated Anodyne COC(=O)c1nc(Sc2ccc(Cl)cc2)n(COCCOC(C)=O)n1 ZINC000049047542 GE Annotated Anodyne NC(=O)CNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000049052212 GE Annotated Anodyne CC[C@@H]1C[N+]2([O-])CC[C@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@@H]42 ZINC000049052241 GE Annotated Bother COc1ccc(CCNC(=O)c2c(C)n(O)c3cc(F)c(F)cc3[n+]2=O)cc1 ZINC000049067710 GE Annotated Anodyne Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@@H]4O)cc2)cn1 ZINC000049069286 GE Annotated Anodyne Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@H]4O)cc2)cn1 ZINC000049069288 GE Annotated Anodyne COC[C@H](C)Nc1nccc(N(CCCCN)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000049070815 GE Annotated Anodyne COc1ccc(CNC(=O)c2c(C)n(O)c3cc(F)c(F)cc3[n+]2=O)cc1 ZINC000049071778 GE Annotated Anodyne O=C(O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Br)c(O)c1C2=O ZINC000049071877 GE Annotated Clean O=S(=O)(c1ccc(Cl)cc1)N1CCc2n[nH]cc2[C@@H]1c1cncnc1 ZINC000049072369 GE Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1CCc2n[nH]cc2[C@H]1c1cncnc1 ZINC000049072371 GE Annotated Anodyne CO/N=C(\N)c1ccc(-c2cnc(-c3ccc(/C(N)=N\OC)cn3)s2)cc1 ZINC000049072950 GE Annotated Mild CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C(C)C)CC1 ZINC000049089575 GE Annotated Anodyne CNC[C@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O ZINC000049089676 GE Annotated Anodyne Cc1nnsc1/C(Cl)=C(/NC(=O)c1ccccc1)C(=O)N1CCOCC1 ZINC000049110417 GE Annotated Anodyne N#Cc1c(Cl)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000049110662 GE Annotated Mild NCC(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000049111280 GE Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@@H]1c1cncnc1 ZINC000049111540 GE Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@H]1c1cncnc1 ZINC000049111542 GE Annotated Anodyne CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccc2ccccc2c1 ZINC000049111755 GE Annotated Anodyne CCn1nc(-c2nnc(C)o2)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O ZINC000049112734 GE Annotated Bother CC(=O)N1C[C@@H](Oc2ccsc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1 ZINC000049112780 GE Annotated Anodyne NC(N)=NC(=O)C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000049113850 GE Annotated Mild Cc1ccc(NC(=O)Nc2nc(N(C)C)nc3nc(-c4ccco4)nn23)cc1 ZINC000049115012 GE Annotated Anodyne CO/N=C(\N)c1ccc(-c2cnc(-c3ccc(/C(N)=N/OC)nc3)s2)cc1 ZINC000049115312 GE Annotated Mild COc1ccc(C[C@@H]2COc3c(OC)c(O)c(C)c(O)c3C2=O)c(O)c1O ZINC000049116481 GE Annotated Clean CCOC(=O)c1nn(CC)c(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)c(C)c12 ZINC000049116529 GE Annotated Bother Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000049539867 GE Annotated Anodyne Cc1nc(NCCN(C)C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1 ZINC000049600033 GE Annotated Anodyne O=C1C=C[C@]2(C=C1Br)CCNC1=C2C2=NCCc3c[nH]c(c32)C1=O ZINC000049777822 GE Annotated Mild CCOC(=O)c1nn(CC)c(=O)c2nn(-c3cc(C(=O)OC)ccc3C)c(C)c12 ZINC000049783869 GE Annotated Anodyne CS(=O)(=O)NC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049784034 GE Annotated Reactive CCOC(=O)CCn1nc(C)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O ZINC000049784797 GE Annotated Bother CC(=O)N1C[C@@H](Oc2cccs2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1 ZINC000049784994 GE Annotated Anodyne Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCOCC3)ccc1C2=O ZINC000049793266 GE Annotated Anodyne O=C1C(SCCO)=C(SCCO)C(=O)N1c1cccc2ccccc12 ZINC000049802884 GE Annotated Anodyne O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc2ccccc2c1 ZINC000049808381 GE Annotated Anodyne CCCCCCCCCC/C=C/C[C@@H](OS(=O)(=O)O)[C@@H](O)[C@@H](N)CO ZINC000049872083 GE Annotated Mild COc1ccc2c(c1)[C@@H](n1c(Br)nc3c(=O)[nH]c(N)nc31)CCC2 ZINC000000589856 GE Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2cccn2)CC1 ZINC000000597115 GE Annotated Anodyne CN(C)CCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13 ZINC000000598899 GE Annotated Clean COc1ccc(OC)c(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1 ZINC000000675824 GE Annotated Reactive CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758473 GE Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758474 GE Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758575 GE Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758576 GE Annotated Anodyne CCOC(=O)Cc1nc2nc(N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc2nc1O ZINC000000766643 GE Annotated Anodyne C[C@@H](O)CN(C[C@@H](C)O)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000000766741 GE Annotated Anodyne C[C@H](O)CN(C[C@H](C)O)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000000766742 GE Annotated Anodyne C[C@H](O)CN(C[C@@H](C)O)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000000766743 GE Annotated Anodyne CC(=O)N1CCN(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)CC1 ZINC000000766754 GE Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000000766932 GE Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000000766934 GE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000769662 GE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000769663 GE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000769664 GE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000769665 GE Annotated Anodyne COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H](O)CO ZINC000000773872 GE Annotated Anodyne COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H](O)CO ZINC000000773873 GE Annotated Anodyne COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NC[C@H](O)CO ZINC000000775460 GE Annotated Anodyne COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NC[C@@H](O)CO ZINC000000775461 GE Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NC[C@H](O)CO ZINC000000776337 GE Annotated Bother CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NC[C@@H](O)CO ZINC000000776338 GE Annotated Bother O=C(NCc1ccco1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000000781967 GE Annotated Anodyne COc1ccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2F)ccc1=O ZINC000000837397 GE Annotated Anodyne Cc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C ZINC000000990859 GE Annotated Anodyne CC[C@@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC ZINC000005004089 GE Annotated Clean CC[C@@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC ZINC000005004091 GE Annotated Clean CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N3CCOCC3)cc21 ZINC000005058537 GE Annotated Anodyne CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)N3CCOCC3)cc21 ZINC000005058538 GE Annotated Anodyne CC1=C(C(=O)N2CCN(C(=O)c3ccco3)CC2)C2(CCC(C)CC2)OC1=O ZINC000005058817 GE Annotated Anodyne Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1 ZINC000005067177 GE Annotated Anodyne Cn1c(=O)cc(OCCCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21 ZINC000005067631 GE Annotated Anodyne CC1(C)CC(=O)N(CC(=O)NCc2ccccc2)c2ccccc2S1(=O)=O ZINC000005084321 GE Annotated Anodyne Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3c(Cl)nn(CC#N)c3c2)c1=O ZINC000005127364 GE Annotated Mild C/C=C1\C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O ZINC000005132696 GE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 ZINC000005144543 GE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 ZINC000005144544 GE Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N[C@@H]4CCCC[C@@H]4C)C3)sc2n1 ZINC000005149110 GE Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N[C@@H]4CCCC[C@@H]4C)C3)sc2n1 ZINC000005149112 GE Annotated Anodyne CC(=O)N=c1c(C#N)cc2c(=O)n3cccc(C)c3nc2n1CCCOC(C)C ZINC000005156826 GE Annotated Anodyne C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000005163581 GE Annotated Mild C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)cc1 ZINC000005164243 GE Annotated Reactive C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)cc1 ZINC000005164245 GE Annotated Reactive C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 ZINC000005164453 GE Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2cc(OC)ccc2O)nc1 ZINC000005167047 GE Annotated Mild CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(OC)cccc1C3=O ZINC000005372313 GE Annotated Clean CC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000005431547 GE Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1C ZINC000005445924 GE Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1C ZINC000005445950 GE Annotated Mild CCN(CC)S(=O)(=O)c1cccc(N2CC(=O)C(c3ccccc3)=C2N)c1 ZINC000005447222 GE Annotated Mild O=C(O[C@H]1CCN2C[C@H]3C[C@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1)c1ccc(O)cc1 ZINC000005459269 GE Annotated Anodyne CCOC(=O)c1cn2nc(N3CCOCC3)sc3c(F)c(F)cc(c1=O)c32 ZINC000005474487 GE Annotated Anodyne CO[C@@H]1C[C@@]2(OC)O[C@]1(C)C[C@@H](OC(=O)C(C)C)[C@H]1CC(=O)O[C@@H]1/C=C\2C ZINC000523041941 GE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(CO)=CC(=O)C3=C(C)C[C@@H](OCc3ccc(O)cc3)[C@@H]12 ZINC000523042010 GE Annotated Mild Cc1cc(C)nc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN4[C@@H](C)CO[C@H]2[C@@H]34)c1 ZINC000052636773 GE Annotated Mild Cc1cc(C)nc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN4[C@@H](C)CO[C@H]2[C@H]34)c1 ZINC000052636774 GE Annotated Mild Cc1cc(C)nc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN4[C@@H](C)CO[C@@H]2[C@@H]34)c1 ZINC000052636775 GE Annotated Mild Cc1cc(C)nc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN4[C@@H](C)CO[C@@H]2[C@H]34)c1 ZINC000052636776 GE Annotated Mild C[C@H]1CO[C@H]2C(CNc3ccc(F)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053006686 GE Annotated Mild C[C@H]1CO[C@@H]2C(CNc3ccc(F)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053006687 GE Annotated Mild C[C@H]1CO[C@H]2C(CNc3ccc(F)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053006688 GE Annotated Mild C[C@H]1CO[C@@H]2C(CNc3ccc(F)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053006689 GE Annotated Mild COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#CC3(O)CCNCC3)c21 ZINC000053022938 GE Annotated Mild NC1=NC(=S)N=C(N)C1[C@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000053119650 GE Annotated Anodyne NC1=NC(=S)N=C(N)C1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000053119652 GE Annotated Anodyne CCOC(=O)c1c(SC)nn(-c2nc3cc(Cl)ccc3c(=O)n2C)c1N ZINC000053151335 GE Annotated Anodyne Cc1ccc(S(=O)(=O)c2c[nH]cc2S(=O)(=O)CC2=NCCS2)cc1 ZINC000053226617 GE Annotated Anodyne CN(C(=O)CNc1ccccc1C#N)[C@H](CN1CC[C@H](O)C1)c1ccccc1 ZINC000053261927 GE Annotated Mild CCOC(=O)c1cc2c([nH]1)-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2 ZINC000053297587 GE Annotated Anodyne C=C1CCC[C@@H]2CCC[C@@H](C/C=C\C(=O)O[C@H](CO)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000053298262 GE Annotated Mild CCNC1=C(NC(=O)c2cc(OC)cc(OC)c2)C(=O)c2ccccc2C1=O ZINC000005501929 GE Annotated Mild Cc1[nH]c(=O)nc(S)c1C(=O)NC1[C@H]2CCCC[C@@H]2N[C@@H]2CCCC[C@H]12 ZINC000005503796 GE Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)c2ccccc2)C(=O)N1C(=O)OCc1ccccc1 ZINC000005537271 GE Annotated Anodyne O=C(/N=C1/NC[C@@H](CN2CCN(c3ccccc3)CC2)O1)Nc1ccccc1 ZINC000005582403 GE Annotated Mild C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@H](O)[C@@H]1O ZINC000005601385 GE Annotated Mild CC(=O)C[C@H]1CCC(=O)CCC(=O)O[C@@H](CC(C)=O)CCC(=O)CCC(=O)O1 ZINC000005601977 GE Annotated Anodyne CC(=O)N1CC[C@]2(c3ccccc3N(C(C)=O)[C@@H]2c2ccc(O)cc2)[C@@H]1C(=O)O ZINC000005602114 GE Annotated Anodyne CC(=O)N1CC[C@]2(c3ccccc3N(C(C)=O)[C@@H]2c2ccc(O)cc2)[C@H]1C(=O)O ZINC000005602115 GE Annotated Anodyne CC(=O)N1CC[C@@]2(c3ccccc3N(C(C)=O)[C@@H]2c2ccc(O)cc2)[C@@H]1C(=O)O ZINC000005602119 GE Annotated Anodyne CC(=O)N1CC[C@@]2(c3ccccc3N(C(C)=O)[C@@H]2c2ccc(O)cc2)[C@H]1C(=O)O ZINC000005602121 GE Annotated Anodyne Cc1ccccc1-n1c(O)c(/C=N/NC(=O)c2ccccc2O)c(=O)[nH]c1=S ZINC000005626147 GE Annotated Reactive C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC000005657951 GE Annotated Reactive Cc1nnc(N/N=C(/C(=O)[C@H](C#N)c2ccccc2)[C@@H](C#N)c2ccccc2)n1N ZINC000005722463 GE Annotated Mild Cc1nnc(N/N=C(/C(=O)[C@H](C#N)c2ccccc2)[C@H](C#N)c2ccccc2)n1N ZINC000005722465 GE Annotated Mild COC(=O)[C@]12CC=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4[C@@H]3[C@@H]1C(=O)CCC2=O ZINC000005723068 GE Annotated Anodyne COC(=O)[C@]12CC=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4[C@H]3[C@@H]1C(=O)CCC2=O ZINC000005723069 GE Annotated Anodyne COC(=O)[C@@]12C(=O)CCC(=O)[C@@H]1[C@H]1C(=C[C@H]2C)O[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000005723075 GE Annotated Anodyne COC(=O)[C@@]12C(=O)CCC(=O)[C@@H]1[C@@H]1C(=C[C@H]2C)O[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000005723076 GE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)ccc54)[C@H]3C[C@H]12 ZINC000005748736 GE Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000005762419 GE Annotated Reactive COC1=CC[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000005763995 GE Annotated Mild CSc1nc2c(c(N3CCOCC3)n1)[C@@H](O)n1c(nc3ccccc31)S2 ZINC000005800893 GE Annotated Anodyne O=C1c2ccccc2C(=O)c2nc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c(O)nc21 ZINC000005800957 GE Annotated Mild C[C@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@H]2S(=O)(=O)c1ccccc1 ZINC000005812493 GE Annotated Anodyne CCOC(=O)[C@@]12CC[C@@](c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC ZINC000005832351 GE Annotated Anodyne O=C(N/N=C1\CCS(=O)(=O)c2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000005834476 GE Annotated Reactive Cc1ccc(NC(=O)/C(=N/N(C)C)[C@@H]([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])cc1 ZINC000005834686 GE Annotated Mild Cc1ccc(NC(=O)/C(=N/N(C)C)[C@H]([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])cc1 ZINC000005834688 GE Annotated Mild CCOC(=O)[C@]12CC[C@](c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC ZINC000005834853 GE Annotated Anodyne COc1ccc([C@@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC ZINC000005838631 GE Annotated Reactive COc1ccc([C@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC ZINC000005838637 GE Annotated Reactive CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccc(C#N)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 ZINC000005842017 GE Annotated Anodyne CCN1c2ncc(COc3cc[n+]([O-])cc3)cc2C(=O)N(C)c2cccnc21 ZINC000005842369 GE Annotated Anodyne CO[C@@H]1O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H]2OC(C)(C)O[C@H]12 ZINC000005848255 GE Annotated Anodyne O=S(=O)(c1ccccc1)[C@@]1(CCC2OCCO2)C=CC2(CC1)OCCO2 ZINC000005853489 GE Annotated Anodyne CC(C)=C[C@H](O)[C@@H]([C@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1 ZINC000005854734 GE Annotated Anodyne CC(C)=C[C@H](O)[C@H]([C@H](O)CCC1(C)OCCO1)S(=O)(=O)c1ccccc1 ZINC000005854736 GE Annotated Anodyne CCOc1ccc(C(C)=O)cc1COC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000005874415 GE Annotated Anodyne O=C1c2cccc3c2C(=O)c2c(cccc21)OCCOCCOCCOCCO3 ZINC000005883137 GE Annotated Clean N#C[C@@]1([C@@H]2SCC[S@]2=O)C2=C(C(=O)c3ccccc3C2=O)N2CCC[C@H]21 ZINC000005885650 GE Annotated Mild C=CCN(c1cc(OC)c2[nH]c(C(=O)O)c(C)c2c1[N+](=O)[O-])S(C)(=O)=O ZINC000005922557 GE Annotated Mild COC[C@H]1O[C@@H](N2C(=O)N=C(O)[C@@H]3C=C4CCCCC4=C[C@@H]32)[C@@H](OC)[C@@H]1OC ZINC000005922720 GE Annotated Anodyne COC[C@@H]1O[C@@H](N2C(=O)N=C(O)[C@@H]3C=C4CCCCC4=C[C@@H]32)[C@@H](OC)[C@@H]1OC ZINC000005922722 GE Annotated Anodyne C[C@]12[C@@H]3CC[C@H]1[C@@H](OC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N2CC3 ZINC000005923753 GE Annotated Bother C[C@H]1C[C@H](N)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C(C)(C)CF ZINC000005930141 GE Annotated Anodyne CO[C@]12COC(=O)[C@@H]1[C@H](c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3 ZINC000005941930 GE Annotated Anodyne c1ccc(CN2CCN(c3nc4nonc4nc3NC3CCCC3)CC2)nc1 ZINC000055060958 GE Annotated Anodyne CCS(=O)(=O)c1ncc(CN(C)Cc2cnccn2)n1CCc1ccccc1 ZINC000055131675 GE Annotated Anodyne Cc1ccn(CC(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)n1 ZINC000055132804 GE Annotated Anodyne Cc1ccn(CC(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)n1 ZINC000055132805 GE Annotated Anodyne O=C(C(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1)c1ccco1 ZINC000055414961 GE Annotated Anodyne O=C(C(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1)c1ccco1 ZINC000055414962 GE Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 ZINC000056871367 GE Annotated Anodyne in-vitro CC1([C@@H]2CC(=O)N(CCOc3ccc(F)c(C#N)c3)C2)CCS(=O)(=O)CC1 ZINC000584905440 GE Annotated Mild CCCC/C=C/C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000584905664 GE Annotated Mild Cc1cc2c(cc1Cl)S[C@@H](c1c(O)[nH]c(=S)[nH]c1=O)NS2(=O)=O ZINC000058501984 GE Annotated Anodyne O=C(NCc1ccc(-c2noc(CCC3CCCC3)n2)cc1)[C@H]1NCC[C@@H]1O ZINC000058502032 GE Annotated Anodyne O=C(NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccncc1 ZINC000058502250 GE Annotated Reactive CCN(CC)CCNc1nc(NCCN(CC)CC)nc(N2CCCCC2)n1 ZINC000058506700 GE Annotated Anodyne Cc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23CC(=O)N(C)C3=O)cc1 ZINC000058506748 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C=C[C@@]52CO)[C@]63O)CC[C@@H]41 ZINC000058522430 GE Annotated Anodyne CC(C)(C)[C@H](NC(=O)N1CCCCC1)C(=O)N(CC(=O)NO)CC1CCCC1 ZINC000058534615 GE Annotated Bother CC(C)(C)[C@H](NC(=O)c1cccs1)C(=O)N(CC(=O)NO)CC1CCCC1 ZINC000058534755 GE Annotated Bother CCc1c(C)cc2c(c1O)C(=O)[C@H]1O[C@@](C)(C(=O)OC)C(=O)C(C)(C)[C@@H]1C2=O ZINC000058537900 GE Annotated Clean CC(C)(C)OC(=O)NC(=N)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000058538289 GE Annotated Bother O=C1[C@H]2C=C(I)[C@H](C[C@@H]2OCCCCCCO)[C@]12CO2 ZINC000058538601 GE Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@@]13CC(=O)[C@]1(C)[C@@]2(C)CO[C@]1(OC(=O)c1ccccc1)[C@@H]3O ZINC000058539536 GE Annotated Anodyne in-vitro biogenic O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Br ZINC000058566144 GE Annotated Anodyne CCn1cc(Cl)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1 ZINC000058568804 GE Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1 ZINC000058575032 GE Annotated Bother Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCn3cnnc3C2)cc1 ZINC000058581750 GE Annotated Anodyne C[C@@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@H]1O ZINC000058587381 GE Annotated Anodyne COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1 ZINC000058590739 GE Annotated Anodyne COc1cccc(COC[C@@H]2COCS(=O)(=O)N2Cc2ccccc2)c1 ZINC000058591784 GE Annotated Anodyne C#CCN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 ZINC000058592471 GE Annotated Mild Oc1ccc([C@@H]2C/C(=N\NC(=S)N3CCNCC3)c3ccc(O)cc3O2)cc1 ZINC000058599190 GE Annotated Mild O=C(O)[C@@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000058608861 GE Annotated Anodyne C[C@@H](CS(C)(=O)=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12 ZINC000058638353 GE Annotated Anodyne C[C@H](CS(C)(=O)=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12 ZINC000058638964 GE Annotated Anodyne CC[C@@H](CC(=O)NCCN1CCOCC1)n1c(N)nc2cc(Cl)ccc21 ZINC000058649919 GE Annotated Anodyne C[C@H](c1ccc(-n2cncn2)cc1)N1C[C@H](N)[C@H](C(=O)[C@H]2CCC[C@H]2C#N)C1 ZINC000058651133 GE Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Br)c1 ZINC000058662580 GE Annotated Anodyne C[C@H]1CN(CCn2cnnn2)CC[C@H]1N(C(=O)c1ccco1)c1ccccc1F ZINC000058682850 GE Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586885646 GE Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586885651 GE Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586885653 GE Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586885654 GE Annotated Anodyne CC(C)CCOc1cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586886084 GE Annotated Anodyne CC(C)CCOc1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586886089 GE Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586886092 GE Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586886094 GE Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586886226 GE Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586886233 GE Annotated Anodyne CCCCCOc1cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586890122 GE Annotated Anodyne CCCCCOc1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586890125 GE Annotated Anodyne CCCCCOc1cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586890127 GE Annotated Anodyne CCCCCOc1cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586890129 GE Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586890734 GE Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586890736 GE Annotated Anodyne O=S(=O)(c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1)N1CCOCC1 ZINC000586896630 GE Annotated Anodyne O=S(=O)(c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1)N1CCOCC1 ZINC000586897928 GE Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586900285 GE Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1)N1CCOCC1 ZINC000586900939 GE Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1)N1CCOCC1 ZINC000586900944 GE Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1)N1CCOCC1 ZINC000586900945 GE Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1)N1CCOCC1 ZINC000586900946 GE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CC3OCCO3)[nH]c2c1 ZINC000586909367 GE Annotated Anodyne Brc1cnc(Br)c2[nH]c(C[C@H]3COCCO3)nc12 ZINC000586910523 GE Annotated Anodyne Brc1cnc(Br)c2[nH]c(C[C@@H]3COCCO3)nc12 ZINC000586910524 GE Annotated Anodyne Clc1ncc(I)c2nc(C[C@H]3COCCO3)[nH]c12 ZINC000586910596 GE Annotated Anodyne Clc1ncc(I)c2nc(C[C@@H]3COCCO3)[nH]c12 ZINC000586910597 GE Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586912252 GE Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586912255 GE Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586912258 GE Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586912261 GE Annotated Anodyne OC1(c2nc3c(Br)cnc(Br)c3[nH]2)CCOCC1 ZINC000586914185 GE Annotated Anodyne OC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCOCC1 ZINC000586914230 GE Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586915284 GE Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586915285 GE Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586915286 GE Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586915287 GE Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586916448 GE Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586916450 GE Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586916451 GE Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586916453 GE Annotated Anodyne COc1cc(OC)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000586919632 GE Annotated Bother N[C@@H](N=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586919684 GE Annotated Bother N[C@H](N=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586919685 GE Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586919742 GE Annotated Bother N#Cc1nc(Cl)cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586919754 GE Annotated Mild CN(C)C(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586919757 GE Annotated Bother COC(=O)c1ccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2c1OC ZINC000586920028 GE Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586920045 GE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000586920218 GE Annotated Bother O=C(O)c1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1F ZINC000586920414 GE Annotated Bother COc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1OC ZINC000586920694 GE Annotated Bother O=C(O)c1cc(F)cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920708 GE Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586920757 GE Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586920804 GE Annotated Bother COC(=O)c1cc2[nH]c(CS(=O)(=O)c3ccc(OC)cc3)nc2cc1OC ZINC000586920855 GE Annotated Anodyne O=C1CCc2cc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3cc2N1 ZINC000586921090 GE Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586921162 GE Annotated Mild Cc1c(Br)ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c12 ZINC000586921191 GE Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586921195 GE Annotated Anodyne CCCOc1cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2cc1Br ZINC000586921292 GE Annotated Anodyne Cc1cc(Br)c2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2c1 ZINC000586921304 GE Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1)c1ccccc1 ZINC000586921327 GE Annotated Anodyne Cc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br ZINC000586921476 GE Annotated Anodyne Nc1nc(O)c2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586921514 GE Annotated Anodyne O=C1COc2cc3[nH]c(CCS(=O)(=O)c4ccc5c(c4)CCC5)nc3cc2N1 ZINC000586921550 GE Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586921552 GE Annotated Anodyne O=S(=O)(CCc1nc2c(S)nc(S)nc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921835 GE Annotated Anodyne Cc1cc(Br)cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c12 ZINC000586922058 GE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586922257 GE Annotated Mild Cn1nccc1CS(=O)(=O)Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000586922569 GE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586922589 GE Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586922593 GE Annotated Anodyne COC(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2n1 ZINC000586922633 GE Annotated Anodyne COC(=O)c1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cn1 ZINC000586922663 GE Annotated Anodyne CS(=O)(=O)/C=C\c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586922697 GE Annotated Anodyne CS(=O)(=O)/C=C/c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586922701 GE Annotated Anodyne O=S(=O)(CCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586923073 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12 ZINC000586923131 GE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000586923251 GE Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)o1 ZINC000586923254 GE Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)CP(=O)(O)O)[nH]c3c2)cc1 ZINC000586923316 GE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000586923513 GE Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2cc1Br ZINC000586923630 GE Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586923646 GE Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(N)ccnc4[nH]3)c2)o1 ZINC000586923797 GE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000586923844 GE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000586923857 GE Annotated Anodyne O=S(=O)(Cc1nc2cc(I)cnc2[nH]1)C1CCCC1 ZINC000586923937 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 ZINC000586924039 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924182 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924183 GE Annotated Anodyne CS(=O)(=O)/C=C\c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586924435 GE Annotated Anodyne CS(=O)(=O)/C=C/c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586924440 GE Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cnnc(O)c2[nH]1 ZINC000586924804 GE Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586924938 GE Annotated Anodyne COc1cc(Cc2nc3cc(N)c(N)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924995 GE Annotated Unstable O=S(=O)(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C1CCCC1 ZINC000586925281 GE Annotated Anodyne COc1cc(Cc2nc3ccnc(O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925364 GE Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586925859 GE Annotated Unstable Nc1nc(O)c2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2n1 ZINC000586926172 GE Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(N)c(N)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926371 GE Annotated Bother CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586926385 GE Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926407 GE Annotated Bother N#Cc1nc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2nc1C#N ZINC000586926968 GE Annotated Unstable N#Cc1nc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2nc1C#N ZINC000586927398 GE Annotated Unstable CCc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927423 GE Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(O)ncnc2[nH]1 ZINC000586928046 GE Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586928165 GE Annotated Bother Cc1c(Br)cnc2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc12 ZINC000586928480 GE Annotated Anodyne COC(=O)c1cccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586928545 GE Annotated Mild CN(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928595 GE Annotated Mild COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2n1 ZINC000586928618 GE Annotated Anodyne COC(=O)c1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cn1 ZINC000586928631 GE Annotated Anodyne CN(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928699 GE Annotated Bother CN(Cc1nc2cc3c(cc2[nH]1)OCCCO3)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928705 GE Annotated Mild COc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1OC ZINC000586928789 GE Annotated Mild CN(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928808 GE Annotated Mild Cc1nc2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2cc1Br ZINC000586928845 GE Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2c1 ZINC000586928892 GE Annotated Anodyne CN(Cc1nc2c(F)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928901 GE Annotated Mild COc1cc(OC)c2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586928914 GE Annotated Mild CN(Cc1nc2cc3c(cc2[nH]1)OCCO3)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928935 GE Annotated Mild CN(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929008 GE Annotated Mild Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(O)nc(O)nc3[nH]2)c1Cl ZINC000586929023 GE Annotated Unstable CN(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929138 GE Annotated Mild NS(=O)(=O)c1ccc(CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586929148 GE Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)ncc(Br)c3[nH]2)c1 ZINC000586929154 GE Annotated Anodyne CN(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929224 GE Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586929299 GE Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929370 GE Annotated Mild COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586929396 GE Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586929432 GE Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 ZINC000586929452 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc12 ZINC000586929496 GE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)cnc2[nH]1 ZINC000586929508 GE Annotated Anodyne CN(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929526 GE Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586929540 GE Annotated Mild CN(Cc1nc2ccc(Br)c(O)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929545 GE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586929585 GE Annotated Bother CCOC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586929586 GE Annotated Mild CN(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929632 GE Annotated Anodyne Cc1cc2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2cc1[N+](=O)[O-] ZINC000586929696 GE Annotated Mild CN(Cc1nc2cc(Cl)nc(C#N)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929702 GE Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Br)nc2[nH]1 ZINC000586929787 GE Annotated Anodyne CCOC(=O)c1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1 ZINC000586929815 GE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(Br)ccnc2[nH]1 ZINC000586929935 GE Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)c1 ZINC000586929997 GE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586930098 GE Annotated Bother NS(=O)(=O)Cc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 ZINC000586930220 GE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccnc(Br)c2[nH]1 ZINC000586930293 GE Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(F)c(Br)cc3[nH]2)c1 ZINC000586930394 GE Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000586930398 GE Annotated Anodyne COc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1OC ZINC000586930545 GE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)ncc2[nH]1 ZINC000586930560 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)o1 ZINC000586930806 GE Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3ncc(Br)c(Cl)c3[nH]2)c1 ZINC000586930829 GE Annotated Anodyne Cc1nc2nc(-c3ccc(CS(N)(=O)=O)cc3)[nH]c2cc1Br ZINC000586930881 GE Annotated Anodyne COc1cc(OC)c2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2c1 ZINC000586930892 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000586930966 GE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cncc(Br)c2[nH]1 ZINC000586930997 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(C(=O)OC)ccnc3[nH]2)c1 ZINC000586931092 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000586931248 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C(=O)OC)nc3[nH]2)c1 ZINC000586931252 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586931350 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)o1 ZINC000586931374 GE Annotated Anodyne COc1cc(OC)c2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 ZINC000586931375 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586931481 GE Annotated Mild COC(=O)c1cccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 ZINC000586931576 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000586931641 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000586931642 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586931670 GE Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000586931704 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586931817 GE Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586931844 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000586931866 GE Annotated Mild CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000586931893 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586932002 GE Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2nc(Br)c[nH]c-2n1)C(C)C ZINC000586932128 GE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2nc(Br)c[nH]c-2n1)C(C)C ZINC000586932129 GE Annotated Anodyne COc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1OC ZINC000586932189 GE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(S)nc(S)nc2[nH]1)C(C)C ZINC000586933231 GE Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(S)nc(S)nc2[nH]1)C(C)C ZINC000586933234 GE Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(C)C ZINC000586933278 GE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(C)C ZINC000586933280 GE Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(C)C ZINC000586933483 GE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(C)C ZINC000586933484 GE Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586935090 GE Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586935099 GE Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000586935421 GE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(OCCN(C)C)ccc3[nH]2)c1 ZINC000586935455 GE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000586935639 GE Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000586935704 GE Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000586935709 GE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(O)c2[nH]1 ZINC000586935948 GE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(O)c2[nH]1 ZINC000586935954 GE Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 ZINC000586936006 GE Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1 ZINC000586936008 GE Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000586936012 GE Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2cc1OC ZINC000586936222 GE Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000586936682 GE Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000586936684 GE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000586936728 GE Annotated Bother COC(=O)c1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1OC ZINC000586936766 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586936862 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586936866 GE Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586936876 GE Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586936880 GE Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586937035 GE Annotated Anodyne Cc1c(Br)ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586937038 GE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(N)ccnc2[nH]1 ZINC000586937163 GE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(N)ccnc2[nH]1 ZINC000586937182 GE Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000586937222 GE Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000586937224 GE Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586937321 GE Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586937540 GE Annotated Anodyne Cc1cc(Br)cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586937543 GE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(N)c2[nH]1 ZINC000586937625 GE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(N)c2[nH]1 ZINC000586937626 GE Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586937699 GE Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586937702 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586937885 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586937886 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586937903 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586937904 GE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)nccc3[nH]2)c1 ZINC000586937956 GE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(N)ncc2[nH]1 ZINC000586938033 GE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(N)ncc2[nH]1 ZINC000586938035 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586938059 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586938061 GE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586938299 GE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586938300 GE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586938302 GE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586938304 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)cc2[nH]1 ZINC000586938416 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)cc2[nH]1 ZINC000586938425 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586938495 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586938498 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(Br)c2[nH]1 ZINC000586938572 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(Br)c2[nH]1 ZINC000586938574 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586938582 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586938584 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586938895 GE Annotated Mild C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586938896 GE Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586938963 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586938965 GE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(Br)ccc3[nH]2)c1 ZINC000586939075 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586939607 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586939608 GE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cnc(Br)cc3[nH]2)c1 ZINC000586939694 GE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cncc3[nH]2)c1 ZINC000586939727 GE Annotated Anodyne Cc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586940221 GE Annotated Anodyne Cc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Br ZINC000586940222 GE Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586940253 GE Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586940254 GE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586940265 GE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586940266 GE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nccc(Br)c3[nH]2)c1 ZINC000586940276 GE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc(Br)cc3[nH]2)c1 ZINC000586940307 GE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cccc(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940549 GE Annotated Bother COC(=O)c1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2n1 ZINC000586940559 GE Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2n1 ZINC000586940561 GE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(C)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586940618 GE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(F)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000586940698 GE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940699 GE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3c(C)ccnc3[nH]2)cc1[N+](=O)[O-] ZINC000586940794 GE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3c(C)nccc3[nH]2)cc1[N+](=O)[O-] ZINC000586940855 GE Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586940860 GE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586940861 GE Annotated Anodyne O=S(=O)(NCc1nc2cc(F)c(F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941029 GE Annotated Anodyne O=S(=O)(NCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941036 GE Annotated Anodyne O=S(=O)(NCc1nc2cnc3ccccc3c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941085 GE Annotated Anodyne COC(=O)c1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cn1 ZINC000586941146 GE Annotated Anodyne COC(=O)c1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cn1 ZINC000586941147 GE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cccnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941148 GE Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586941189 GE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586941190 GE Annotated Anodyne O=S(=O)(NCc1nc2cc(F)cc(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941222 GE Annotated Anodyne O=S(=O)(NCc1nc2cccc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941250 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c(CNS(=O)(=O)/C=C/c3ccc(C)cc3)nc12 ZINC000586941401 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c(CNS(=O)(=O)/C=C\c3ccc(C)cc3)nc12 ZINC000586941403 GE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cnccc3[nH]2)cc1[N+](=O)[O-] ZINC000586941440 GE Annotated Bother O=S(=O)(NCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941588 GE Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586941635 GE Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3cc(C)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941661 GE Annotated Bother CCS(=O)(=O)NCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586941702 GE Annotated Bother Nc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cn1 ZINC000586941759 GE Annotated Anodyne O=S(=O)(NCc1nc2ccc3ncccc3c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941808 GE Annotated Anodyne Cc1c(F)ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941813 GE Annotated Anodyne COc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1C ZINC000586941820 GE Annotated Anodyne COc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1F ZINC000586941832 GE Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 ZINC000586941858 GE Annotated Anodyne CC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941899 GE Annotated Anodyne O=S(=O)(NCCc1nc2ccnc(O)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586941936 GE Annotated Anodyne Cc1cc(F)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586942041 GE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cncc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586942090 GE Annotated Bother COc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1C ZINC000586942100 GE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586942146 GE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586942281 GE Annotated Anodyne O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1F ZINC000586942312 GE Annotated Bother COc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1OC ZINC000586942438 GE Annotated Anodyne COc1cc(OC)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 ZINC000586942457 GE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(I)cc2[nH]1 ZINC000586942490 GE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586942493 GE Annotated Anodyne O=[N+]([O-])c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586942499 GE Annotated Bother CCCCOc1cc2nc(CNS(=O)(=O)NC)[nH]c2cc1Br ZINC000586942505 GE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586942521 GE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586942524 GE Annotated Bother O=S(=O)(NCCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942575 GE Annotated Anodyne O=S(=O)(NCc1nc2ccc(F)c(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942579 GE Annotated Anodyne Nc1ccnc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc12 ZINC000586942585 GE Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586942730 GE Annotated Anodyne O=[N+]([O-])c1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942820 GE Annotated Bother CCS(=O)(=O)NCCCc1nc2cccc(I)c2[nH]1 ZINC000586942866 GE Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 ZINC000586942881 GE Annotated Anodyne Cc1cc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2cc1[N+](=O)[O-] ZINC000586942890 GE Annotated Bother O=S(=O)(NCCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942946 GE Annotated Anodyne Nc1nccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586943070 GE Annotated Anodyne O=S(=O)(NCc1nc2cc(F)cnc2[nH]1)c1ccc(Br)s1 ZINC000586943291 GE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000586943860 GE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586944521 GE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586944535 GE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586944595 GE Annotated Clean Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000586944621 GE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000586944904 GE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586944976 GE Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(O)ncnc2[nH]1 ZINC000586945000 GE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586945213 GE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586945241 GE Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1 ZINC000586945261 GE Annotated Anodyne Nc1ccnc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc12 ZINC000586945280 GE Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cnnc(O)c2[nH]1 ZINC000586945556 GE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccnc(O)c2[nH]1 ZINC000586945701 GE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccnc(O)c2[nH]1 ZINC000586945705 GE Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1 ZINC000586945770 GE Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586945867 GE Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586945869 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586945899 GE Annotated Mild Nc1ncnc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc12 ZINC000586945909 GE Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccnc(O)c2[nH]1 ZINC000586945994 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586946031 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586946102 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000586946269 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586946277 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586946284 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586946357 GE Annotated Anodyne Nc1nccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586946385 GE Annotated Anodyne Nc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cn1 ZINC000586946398 GE Annotated Anodyne COc1cncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 ZINC000586946641 GE Annotated Anodyne COc1cncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 ZINC000586946643 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586946654 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)c(OC)cc3[nH]2)cc1 ZINC000586946657 GE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(F)cc(Br)cc3[nH]2)n(C)c1 ZINC000586946722 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586946770 GE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(C#N)cc3[nH]2)n(C)c1 ZINC000586946996 GE Annotated Mild CNS(=O)(=O)c1ccc(CCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586947099 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000586947149 GE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586947357 GE Annotated Bother CNS(=O)(=O)c1ccc(CCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586947476 GE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(F)c(Br)ccc3[nH]2)n(C)c1 ZINC000586947584 GE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(F)cc3[nH]2)n(C)c1 ZINC000586947603 GE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(F)c(Br)cc3[nH]2)n(C)c1 ZINC000586947631 GE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)c(F)ccc3[nH]2)n(C)c1 ZINC000586947632 GE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)n(C)c1 ZINC000586947643 GE Annotated Mild COC(=O)c1cc2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2cc1OC ZINC000586947765 GE Annotated Clean COC(=O)c1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1OC ZINC000586947821 GE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000586948181 GE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000586948440 GE Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586948515 GE Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000586948576 GE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000586948610 GE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000586948993 GE Annotated Clean CCOC(=O)Cc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 ZINC000586949059 GE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000586949351 GE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000586949722 GE Annotated Clean COC(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1OC ZINC000586949826 GE Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000586949936 GE Annotated Anodyne CN(C)CCOc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 ZINC000586950046 GE Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586950340 GE Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2cc1OC ZINC000586950576 GE Annotated Anodyne Nc1nccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950651 GE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586950716 GE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586951018 GE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586951038 GE Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cnncc3[nH]2)c1 ZINC000586951408 GE Annotated Anodyne Nc1ccnc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc12 ZINC000586951471 GE Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cncnc3[nH]2)c1 ZINC000586951515 GE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586951542 GE Annotated Anodyne Nc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cn1 ZINC000586951576 GE Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ncc[nH]c-3n2)c1 ZINC000586951644 GE Annotated Anodyne COC(=O)c1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1OC ZINC000586951748 GE Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1 ZINC000586951777 GE Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2cc1OC ZINC000586951797 GE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586951799 GE Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1 ZINC000586951946 GE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(OCCN(C)C)cc3[nH]2)CC1 ZINC000586951982 GE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC1 ZINC000586952003 GE Annotated Anodyne COC(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1OC ZINC000586952217 GE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1 ZINC000586952484 GE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 ZINC000586952487 GE Annotated Bother CC1CCC(NS(=O)(=O)Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC1 ZINC000586952616 GE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3nc(Br)c[nH]c-3n2)CC1 ZINC000586952630 GE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)CC1 ZINC000586953171 GE Annotated Anodyne COC(=O)c1cc2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2cc1OC ZINC000586953262 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C)cc(Br)c3[nH]2)CC1 ZINC000586954132 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000586954215 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Br)c(F)c3[nH]2)CC1 ZINC000586954229 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 ZINC000586954258 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)cc(C)c3[nH]2)CC1 ZINC000586954358 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(Cl)ccnc4[nH]3)c2N)C1 ZINC000586954370 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2N)C1 ZINC000586954463 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(F)cc(Br)c3[nH]2)CC1 ZINC000586954524 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Br)c(C)c3[nH]2)CC1 ZINC000586954587 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(F)c(Br)c3[nH]2)CC1 ZINC000586954633 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 ZINC000586954649 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)CC1 ZINC000586954706 GE Annotated Mild O=S(=O)(c1ccc(Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c1)N1CCC1 ZINC000586954722 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C)c(Br)cc3[nH]2)CC1 ZINC000586954774 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cncc(Cl)c4[nH]3)c2N)C1 ZINC000586954817 GE Annotated Anodyne Nc1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1N ZINC000586954838 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 ZINC000586954998 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)c(F)cc3[nH]2)CC1 ZINC000586955124 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Cl)nc4[nH]3)c2N)C1 ZINC000586955132 GE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 ZINC000586955185 GE Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2N)C1 ZINC000586955209 GE Annotated Bother Cc1cnc(Cl)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc12 ZINC000586955237 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)cnc4[nH]3)c2N)C1 ZINC000586955274 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(F)cc(F)c4[nH]3)c2N)C1 ZINC000586955349 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)cc(F)c3[nH]2)CC1 ZINC000586955461 GE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC1 ZINC000586955579 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2N)C1 ZINC000586955621 GE Annotated Bother COc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1C ZINC000586955659 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(F)c(F)cc4[nH]3)c2N)C1 ZINC000586955708 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)ncc4[nH]3)c2N)C1 ZINC000586955740 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 ZINC000586955802 GE Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(F)c(F)c4[nH]3)c2N)C1 ZINC000586955965 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2N)C1 ZINC000586955995 GE Annotated Anodyne COc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1F ZINC000586956016 GE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccnc(Cl)c4[nH]3)c2N)C1 ZINC000586956076 GE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 ZINC000586956176 GE Annotated Bother N=c1[nH]c2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc-2c(Cl)[nH]1 ZINC000586956194 GE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586957581 GE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586957582 GE Annotated Anodyne COc1cc(OC)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586957850 GE Annotated Anodyne COc1cc(OC)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586957852 GE Annotated Anodyne Cc1cc2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2cc1[N+](=O)[O-] ZINC000586957935 GE Annotated Bother Cc1cc2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2cc1[N+](=O)[O-] ZINC000586957937 GE Annotated Bother C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000586958297 GE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000586958298 GE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000586958355 GE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000586958356 GE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000586958614 GE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000586958615 GE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586958704 GE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586958705 GE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586959072 GE Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586959073 GE Annotated Bother C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000586959155 GE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000586959156 GE Annotated Anodyne CCOC(=O)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586959582 GE Annotated Anodyne CCOC(=O)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586959584 GE Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccnc3[nH]2)cc1 ZINC000586959605 GE Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000586959674 GE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000586959676 GE Annotated Anodyne N=c1[nH]cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc-2[nH]1 ZINC000586959871 GE Annotated Anodyne N=c1[nH]cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc-2[nH]1 ZINC000586959873 GE Annotated Anodyne N=c1[nH]cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc-2[nH]1 ZINC000586959874 GE Annotated Anodyne N=c1[nH]cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc-2[nH]1 ZINC000586959876 GE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000586960085 GE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000586960088 GE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586960172 GE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586960176 GE Annotated Anodyne N=c1[nH]cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)nc-2[nH]1 ZINC000586960222 GE Annotated Anodyne N=c1[nH]cc2nc(CCC[S@](=O)c3ccc(Br)cc3)nc-2[nH]1 ZINC000586960228 GE Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cnccc3[nH]2)cc1 ZINC000586960471 GE Annotated Mild COc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1OC ZINC000586960567 GE Annotated Anodyne COc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1OC ZINC000586960571 GE Annotated Anodyne Nc1ncnc2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc12 ZINC000586960993 GE Annotated Anodyne Nc1ncnc2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc12 ZINC000586960996 GE Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586961335 GE Annotated Bother C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586961336 GE Annotated Bother COC(=O)c1cc2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc2cc1OC ZINC000586961349 GE Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc2cc1OC ZINC000586961351 GE Annotated Anodyne O=[S@](CCCc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Br)cc1 ZINC000586961567 GE Annotated Anodyne O=[S@@](CCCc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Br)cc1 ZINC000586961569 GE Annotated Anodyne CC1=C(c2ccc3nc([C@@H](C)Sc4nc(N)cc(O)n4)[nH]c3c2)NNC(=O)C1 ZINC000586962127 GE Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)Sc4nc(N)cc(O)n4)[nH]c3c2)NNC(=O)C1 ZINC000586962129 GE Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1OC ZINC000586962580 GE Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1OC ZINC000586962581 GE Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586962644 GE Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586962645 GE Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586963208 GE Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586963210 GE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cnc(Cl)[nH]c-2n1 ZINC000586964611 GE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(N)c(N)cc2[nH]1 ZINC000586964637 GE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccnc(OC)c2[nH]1 ZINC000586964657 GE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cncc(OC)c2[nH]1 ZINC000586964911 GE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC)ncc2[nH]1 ZINC000586965099 GE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2nc(Cl)c[nH]c-2n1 ZINC000586965168 GE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Cl)ncnc2[nH]1 ZINC000586965176 GE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(C(N)=O)c2[nH]1 ZINC000586965279 GE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586965285 GE Annotated Bother CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(=N)N)cc2[nH]1 ZINC000586965349 GE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586965586 GE Annotated Bother CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(OC)nc2[nH]1 ZINC000586965730 GE Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4nc(C#N)c(C#N)nc4[nH]3)n2C)cc1 ZINC000586965962 GE Annotated Mild CCc1cc(O)nc(SCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)n1 ZINC000586966587 GE Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)n1 ZINC000586966696 GE Annotated Anodyne Oc1cc(O)nc(SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)n1 ZINC000586966764 GE Annotated Anodyne Nc1nc(O)c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2n1 ZINC000586966766 GE Annotated Anodyne Oc1cc(O)nc(SCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)n1 ZINC000586966981 GE Annotated Anodyne c1cncc(-c2noc(SCc3nc4ccc(-n5cnnn5)cc4[nH]3)n2)c1 ZINC000586967045 GE Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(O)nc(N)nc3[nH]2)cc1Cl ZINC000586967723 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CSc3ncccc3C(=O)O)[nH]c12 ZINC000586967765 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586967785 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cccnc3SCC(=O)O)nc12 ZINC000586969698 GE Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(I)cnc2[nH]1 ZINC000586969920 GE Annotated Anodyne O=C(CBr)NCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586971019 GE Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586972187 GE Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586972188 GE Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586972687 GE Annotated Mild CC(=O)N[C@H](CSCc1ccccc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586972699 GE Annotated Mild CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586973470 GE Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586973477 GE Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(N)ncc3[nH]2)cc1OC ZINC000586974557 GE Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(N)ncc3[nH]2)cc1OC ZINC000586974561 GE Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(N)ccnc3[nH]2)cc1OC ZINC000586975057 GE Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(N)ccnc3[nH]2)cc1OC ZINC000586975058 GE Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccnc(N)c3[nH]2)cc1OC ZINC000586975229 GE Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccnc(N)c3[nH]2)cc1OC ZINC000586975230 GE Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccnc(O)c3[nH]2)cc1OC ZINC000586976670 GE Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccnc(O)c3[nH]2)cc1OC ZINC000586976680 GE Annotated Anodyne Cc1nn(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)c1Br ZINC000586978778 GE Annotated Anodyne CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1Br ZINC000586979681 GE Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(N)ncnc2[nH]1 ZINC000586980089 GE Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Br ZINC000586980157 GE Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(O)ncnc2[nH]1 ZINC000586980505 GE Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cnnc(O)c2[nH]1 ZINC000586980640 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 ZINC000586981433 GE Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586983449 GE Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586983451 GE Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586983614 GE Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586983615 GE Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000586983981 GE Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000586984020 GE Annotated Anodyne Nc1nc(O)c2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 ZINC000586984441 GE Annotated Anodyne Nc1nc(O)c2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 ZINC000586984442 GE Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000586984984 GE Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(N)ncnc2[nH]1)c1ccc(Br)cc1 ZINC000586985603 GE Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(N)ncnc2[nH]1)c1ccc(Br)cc1 ZINC000586985604 GE Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1 ZINC000586986461 GE Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1 ZINC000586986464 GE Annotated Anodyne CC(=O)N[C@H](Cc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1 ZINC000586986675 GE Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1 ZINC000586986676 GE Annotated Anodyne Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(=O)n(C)c1=O ZINC000586988290 GE Annotated Anodyne O=C1NC(=O)[C@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)N1 ZINC000586990129 GE Annotated Anodyne O=C1NC(=O)[C@@]2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)N1 ZINC000586990132 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586996501 GE Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586996565 GE Annotated Anodyne N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(Br)cc1 ZINC000586996767 GE Annotated Anodyne N[C@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996791 GE Annotated Anodyne Oc1nc(O)c2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1 ZINC000586998442 GE Annotated Anodyne Oc1nc(O)c2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1 ZINC000586998443 GE Annotated Anodyne Nc1nc(O)c2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1 ZINC000586999369 GE Annotated Anodyne Nc1nc(O)c2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1 ZINC000586999370 GE Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)ncnc2[nH]1 ZINC000586999456 GE Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)nncc2[nH]1 ZINC000586999476 GE Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586999514 GE Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586999883 GE Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)n1 ZINC000587000308 GE Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)n1 ZINC000587000805 GE Annotated Anodyne Oc1nc(O)c2nc(CCn3ncc4cc(Br)ccc43)[nH]c2n1 ZINC000587001237 GE Annotated Anodyne Nc1nc(O)c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 ZINC000587001693 GE Annotated Anodyne Nc1nc(O)c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 ZINC000587001696 GE Annotated Anodyne N#Cc1nc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2nc1C#N ZINC000587002072 GE Annotated Mild Nc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cn1 ZINC000587002190 GE Annotated Anodyne Nc1ccnc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12 ZINC000587002724 GE Annotated Anodyne Oc1nc(O)c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 ZINC000587002958 GE Annotated Anodyne Oc1nc(O)c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 ZINC000587002960 GE Annotated Anodyne O=C1C[C@H](Cc2nc3c(O)nc(O)nc3[nH]2)c2c(Br)cccc2O1 ZINC000587003070 GE Annotated Anodyne O=C1C[C@@H](Cc2nc3c(O)nc(O)nc3[nH]2)c2c(Br)cccc2O1 ZINC000587003071 GE Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccnc(O)c2[nH]1 ZINC000587003290 GE Annotated Anodyne O=C1C[C@@H](Cc2nc3cnnc(O)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003342 GE Annotated Anodyne O=C1C[C@H](Cc2nc3cnnc(O)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003352 GE Annotated Anodyne O=C1C[C@@H](Cc2nc3c(O)ncnc3[nH]2)c2c(Br)cccc2O1 ZINC000587003581 GE Annotated Anodyne O=C1C[C@H](Cc2nc3c(O)ncnc3[nH]2)c2c(Br)cccc2O1 ZINC000587003583 GE Annotated Anodyne Nc1nccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587003662 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005177 GE Annotated Anodyne Clc1cnc(Br)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)n1 ZINC000587005228 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006214 GE Annotated Anodyne Nc1ncc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2n1 ZINC000587006480 GE Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007392 GE Annotated Anodyne Sc1nc(S)c2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1 ZINC000587008698 GE Annotated Anodyne NS(=O)(=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587008780 GE Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008969 GE Annotated Anodyne O=C1COc2cc3[nH]c(-c4cnn5cc(Br)cnc45)nc3cc2N1 ZINC000587009100 GE Annotated Anodyne Brc1cnc2c(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cnn2c1 ZINC000587009102 GE Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587009350 GE Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc(C(C)(C)NC(=O)CCl)[nH]c2c1 ZINC000587009743 GE Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc(C(C)(C)NC(=O)CCl)[nH]c2c1 ZINC000587009775 GE Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(I)cnc2[nH]1 ZINC000587010019 GE Annotated Reactive Cc1nc(C)c(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)s1 ZINC000587013094 GE Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cs1 ZINC000587013843 GE Annotated Reactive CC(C)(C)OC(=O)NCc1nc(-c2nc3c(O)nc(S)nc3[nH]2)cs1 ZINC000587014541 GE Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cs1 ZINC000587014651 GE Annotated Mild Oc1nc(O)c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2n1 ZINC000587017517 GE Annotated Anodyne Nc1nc(O)c2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2n1 ZINC000587018393 GE Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(O)nc(O)nc3[nH]2)cs1 ZINC000587018893 GE Annotated Anodyne Nc1nc(O)c2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2n1 ZINC000587019468 GE Annotated Anodyne N#Cc1nc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2nc1C#N ZINC000587019690 GE Annotated Mild CC(C)(C)OC(=O)Nc1nc(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)cs1 ZINC000587020436 GE Annotated Mild CN(C)S(=O)(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 ZINC000587020862 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 ZINC000587021177 GE Annotated Anodyne O=C(CCc1nc2nc(Cl)c[nH]c-2n1)Nc1nnc(-c2ccncc2)s1 ZINC000587023371 GE Annotated Anodyne O=C(CCc1nc2c(Cl)ncnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023470 GE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)s1 ZINC000587023485 GE Annotated Anodyne COc1nccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 ZINC000587023502 GE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)s1 ZINC000587023519 GE Annotated Bother CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(S)nc(S)nc3[nH]2)s1 ZINC000587023753 GE Annotated Anodyne O=C(c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587023922 GE Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1)N1CCOCC1 ZINC000587024006 GE Annotated Anodyne O=C(CCc1nc2cnc(Cl)[nH]c-2n1)Nc1nnc(-c2ccncc2)s1 ZINC000587024105 GE Annotated Anodyne NC(=O)c1cccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 ZINC000587024114 GE Annotated Anodyne COc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cn1 ZINC000587024167 GE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)s1 ZINC000587024190 GE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)s1 ZINC000587024191 GE Annotated Anodyne Nc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1N ZINC000587024241 GE Annotated Anodyne N=C(N)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587024251 GE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)s1 ZINC000587024290 GE Annotated Bother CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(CCO)cc3[nH]2)s1 ZINC000587024308 GE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(C(=O)O)cc3[nH]2)s1 ZINC000587024314 GE Annotated Anodyne NC(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587024364 GE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(C(=O)O)c3[nH]2)s1 ZINC000587024405 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587025009 GE Annotated Anodyne O=C(CCc1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587025298 GE Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025906 GE Annotated Anodyne O=C(CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587026289 GE Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1 ZINC000587027806 GE Annotated Anodyne O=C(NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1cscn1 ZINC000587027926 GE Annotated Anodyne Cc1ncsc1CCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587028008 GE Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CNC(=O)c3cscn3)nc2c1 ZINC000587028443 GE Annotated Anodyne O=C(NCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1cscn1 ZINC000587028520 GE Annotated Anodyne O=C(NCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1cscn1 ZINC000587028816 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 ZINC000587029016 GE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 ZINC000587030063 GE Annotated Anodyne O=C(NCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035140 GE Annotated Anodyne CS(=O)(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587035190 GE Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(O)nc(N)nc4[nH]3)c2C1 ZINC000587035361 GE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(O)nc(S)nc4[nH]3)cc12 ZINC000587036805 GE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(O)nc(S)nc4[nH]3)cc12 ZINC000587036806 GE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc12 ZINC000587037437 GE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc12 ZINC000587037441 GE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(C(N)=O)cc4[nH]3)cc12 ZINC000587037628 GE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(C(N)=O)cc4[nH]3)cc12 ZINC000587037629 GE Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cn1 ZINC000587037962 GE Annotated Anodyne COC(=O)c1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cn1 ZINC000587037963 GE Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)C1=O ZINC000587037970 GE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)C1=O ZINC000587037972 GE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C1=O ZINC000587038093 GE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C1=O ZINC000587038099 GE Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(-n3cnnn3)ccc2[nH]1 ZINC000587038250 GE Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)C1=O ZINC000587038514 GE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)C1=O ZINC000587038634 GE Annotated Mild CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587038743 GE Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587038948 GE Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(S(N)(=O)=O)ccc2[nH]1 ZINC000587039028 GE Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2n1 ZINC000587039380 GE Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2n1 ZINC000587039386 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc12 ZINC000587039522 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc12 ZINC000587039524 GE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(C(N)=O)c4[nH]3)cc12 ZINC000587039639 GE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(C(N)=O)c4[nH]3)cc12 ZINC000587039642 GE Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(S(N)(=O)=O)cccc2[nH]1 ZINC000587039934 GE Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)CC)cc3[nH]2)C1=O ZINC000587040053 GE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)CC)cc3[nH]2)C1=O ZINC000587040059 GE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)C1=O ZINC000587040091 GE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)C1=O ZINC000587040095 GE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)C1=O ZINC000587040096 GE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)C1=O ZINC000587040097 GE Annotated Mild CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000587040701 GE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000587040702 GE Annotated Anodyne NNC(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042426 GE Annotated Reactive NNC(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042428 GE Annotated Reactive O=C1CSC[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)N1 ZINC000587042869 GE Annotated Anodyne N#Cc1nc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2nc1C#N ZINC000587042873 GE Annotated Mild O=C1CSC[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)N1 ZINC000587042874 GE Annotated Anodyne N#Cc1nc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2nc1C#N ZINC000587042878 GE Annotated Mild CN(C)S(=O)(=O)c1cccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 ZINC000587043028 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 ZINC000587043032 GE Annotated Anodyne O=C1CSC[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)N1 ZINC000587043811 GE Annotated Anodyne O=C1CSC[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)N1 ZINC000587043813 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587043978 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587043979 GE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CSCC(=O)N3)nc2c1 ZINC000587044391 GE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CSCC(=O)N3)nc2c1 ZINC000587044393 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 ZINC000587051241 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 ZINC000587052014 GE Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587054804 GE Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587054810 GE Annotated Bother Nc1ncc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2n1 ZINC000587063898 GE Annotated Anodyne Nc1nc(O)c2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2n1 ZINC000587063944 GE Annotated Anodyne O=c1cccc(-c2nc3c(O)nc(O)nc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064050 GE Annotated Anodyne Nc1ncnc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c12 ZINC000587065062 GE Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587066698 GE Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587066892 GE Annotated Anodyne Cc1c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074375 GE Annotated Mild NS(=O)(=O)c1cccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587074972 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587074977 GE Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076525 GE Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076527 GE Annotated Anodyne Cc1onc(-c2nc3cc(N)c(N)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079965 GE Annotated Bother Cc1onc(-c2nc3c(O)nccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080097 GE Annotated Bother NS(=O)(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 ZINC000587080937 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12 ZINC000587081007 GE Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082154 GE Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082155 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084421 GE Annotated Anodyne Clc1nccnc1N1CCC(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 ZINC000587084791 GE Annotated Anodyne NS(=O)(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587084870 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087115 GE Annotated Anodyne FC(Br)(Br)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587087399 GE Annotated Anodyne Nc1nccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12 ZINC000587089223 GE Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnnc(O)c2[nH]1 ZINC000587089242 GE Annotated Mild Nc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cn1 ZINC000587089289 GE Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(O)ncnc2[nH]1 ZINC000587089495 GE Annotated Mild Nc1ncnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc12 ZINC000587089844 GE Annotated Mild O=C1COc2cc3[nH]c(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)nc3cc2N1 ZINC000587090955 GE Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)nn1CC(F)(F)F ZINC000587091018 GE Annotated Bother CCOc1ccccc1[C@](N)(c1nc2nc(C#N)c(C#N)nc2[nH]1)C(F)(F)F ZINC000587091056 GE Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2nc(C#N)c(C#N)nc2[nH]1)C(F)(F)F ZINC000587091057 GE Annotated Mild O=[N+]([O-])c1cc(-c2nc3c(S)nc(S)nc3[nH]2)nn1CC(F)(F)F ZINC000587091620 GE Annotated Bother O=[N+]([O-])c1cc(-c2nc3nc(Br)c[nH]c-3n2)nn1CC(F)(F)F ZINC000587091797 GE Annotated Bother CC1=C(c2ccc3nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587091811 GE Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587091819 GE Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1)N1CCOCC1 ZINC000587092027 GE Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(C(=O)NN)cc2[nH]1)C(F)(F)F ZINC000587092471 GE Annotated Reactive CCOc1ccccc1[C@@](N)(c1nc2ccc(C(=O)NN)cc2[nH]1)C(F)(F)F ZINC000587092472 GE Annotated Reactive Nc1nc(O)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2n1 ZINC000587092578 GE Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(O)nc(S)nc3[nH]2)C(F)(F)F)n1 ZINC000587094248 GE Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(O)nc(S)nc3[nH]2)C(F)(F)F)n1 ZINC000587094249 GE Annotated Anodyne Cc1csc([C@](O)(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C(F)(F)F)n1 ZINC000587094316 GE Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C(F)(F)F)n1 ZINC000587094317 GE Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)C(F)(F)F)n1 ZINC000587095062 GE Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)C(F)(F)F)n1 ZINC000587095080 GE Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)N4CCNC(=O)C4)nc13)-c1ccccc1C2=O ZINC000587097995 GE Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587111347 GE Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587111351 GE Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587112767 GE Annotated Anodyne Nc1nc(O)c2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2n1 ZINC000587112771 GE Annotated Anodyne N=c1[nH]c2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc-2c(Cl)[nH]1 ZINC000587112818 GE Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587112831 GE Annotated Anodyne Oc1nc(S)nc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 ZINC000587114713 GE Annotated Anodyne Nc1nc(O)c2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2n1 ZINC000587116486 GE Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587116693 GE Annotated Bother NS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587116910 GE Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587116987 GE Annotated Anodyne COC(=O)c1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cn1 ZINC000587117547 GE Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587117566 GE Annotated Bother Oc1ncnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 ZINC000587117757 GE Annotated Anodyne Nc1nc(O)c2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2n1 ZINC000587118016 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc12 ZINC000587118173 GE Annotated Bother Oc1nncc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587118303 GE Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2n1 ZINC000587118409 GE Annotated Anodyne COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2n1 ZINC000587118538 GE Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118955 GE Annotated Anodyne Nc1ncnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 ZINC000587118962 GE Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000587119069 GE Annotated Bother NS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119358 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587119558 GE Annotated Anodyne NNC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119573 GE Annotated Reactive N#Cc1nc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2nc1C#N ZINC000587119590 GE Annotated Mild NS(=O)(=O)c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587119958 GE Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587119976 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587120304 GE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2nc(Cl)c[nH]c-2n1 ZINC000587120653 GE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(Cl)ncnc2[nH]1 ZINC000587120940 GE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cnc(Cl)[nH]c-2n1 ZINC000587120965 GE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(N)c(N)cc2[nH]1 ZINC000587120987 GE Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc2N1 ZINC000587122151 GE Annotated Reactive C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc2N1 ZINC000587122157 GE Annotated Reactive C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc2N1 ZINC000587122158 GE Annotated Reactive C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc2N1 ZINC000587122159 GE Annotated Reactive Cc1cc(-c2nc3c(O)nc(O)nc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125887 GE Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cn1 ZINC000587126405 GE Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(S)nc(S)nc2[nH]1)C(F)(F)F ZINC000587126466 GE Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2n1 ZINC000587126738 GE Annotated Anodyne O=C1COc2cc3nc(-c4cccnc4S(=O)(=O)C(F)(F)F)[nH]c3cc2N1 ZINC000587127069 GE Annotated Anodyne COc1nccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 ZINC000587127807 GE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(CO)cc2[nH]1 ZINC000587128253 GE Annotated Anodyne FC(F)c1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cnc2ncnn12 ZINC000587128553 GE Annotated Anodyne COc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cn1 ZINC000587128688 GE Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1[N+](=O)[O-] ZINC000587128952 GE Annotated Bother COc1cncc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 ZINC000587129038 GE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccnc(O)c2[nH]1 ZINC000587129074 GE Annotated Anodyne COc1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2n1 ZINC000587129125 GE Annotated Anodyne CC1=C(c2ccc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587129287 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3nnn(C)c3C(F)F)[nH]c2c1 ZINC000587129520 GE Annotated Anodyne Cn1nnc(-c2nc3cc(I)cnc3[nH]2)c1C(F)F ZINC000587129565 GE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(C(=O)NN)cc3[nH]2)C(F)(F)C1 ZINC000587131791 GE Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(C(=O)NN)cc3[nH]2)C(F)(F)C1 ZINC000587131810 GE Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](c2nc3nc(C#N)c(C#N)nc3[nH]2)C(F)(F)C1 ZINC000587132091 GE Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](c2nc3nc(C#N)c(C#N)nc3[nH]2)C(F)(F)C1 ZINC000587132092 GE Annotated Mild O=C(O)c1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587133829 GE Annotated Anodyne O=C(O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134020 GE Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134040 GE Annotated Anodyne N[C@H](N=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134041 GE Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134663 GE Annotated Anodyne COC(=O)c1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134690 GE Annotated Anodyne N#Cc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1C#N ZINC000587134703 GE Annotated Mild O=S(=O)(NCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135473 GE Annotated Anodyne O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(F)c(F)c1F ZINC000587135547 GE Annotated Anodyne O=S(=O)(NCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135635 GE Annotated Anodyne O=[N+]([O-])c1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587135700 GE Annotated Bother Cc1cc(N(C)Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136031 GE Annotated Bother O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(F)c(F)c1F ZINC000587136241 GE Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136582 GE Annotated Bother Cc1nc2[nH]c(-c3cc(S(N)(=O)=O)ccc3F)nc2cc1Br ZINC000587142136 GE Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587142161 GE Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587142225 GE Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587142341 GE Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(N)(=O)=O)ccc3F)nc2c1 ZINC000587142427 GE Annotated Anodyne N#Cc1nc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2nc1C#N ZINC000587143613 GE Annotated Mild N#Cc1nc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2nc1C#N ZINC000587143614 GE Annotated Mild N[C@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)cc1F ZINC000587145462 GE Annotated Anodyne N[C@@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)cc1F ZINC000587145464 GE Annotated Anodyne N=c1[nH]c2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc-2c(Cl)[nH]1 ZINC000587147921 GE Annotated Anodyne N=c1[nH]c2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc-2c(Cl)[nH]1 ZINC000587147923 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587148493 GE Annotated Bother O=C1C[C@@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149062 GE Annotated Anodyne O=C1C[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149073 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587149921 GE Annotated Bother O=C1C[C@@H](c2nc3c(O)nc(S)nc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150210 GE Annotated Anodyne O=C1C[C@H](c2nc3c(O)nc(S)nc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150213 GE Annotated Anodyne COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)nn1-c1ccccc1F ZINC000587155363 GE Annotated Anodyne Nc1nc(O)c2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2n1 ZINC000587155385 GE Annotated Anodyne Cn1nc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1O ZINC000587156272 GE Annotated Anodyne N=c1[nH]cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc-2[nH]1 ZINC000587156314 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587158781 GE Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587159809 GE Annotated Bother Oc1nc(S)nc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 ZINC000587160804 GE Annotated Anodyne N=c1[nH]c2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)nc-2c(Cl)[nH]1 ZINC000587161440 GE Annotated Anodyne NNC(=O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587161745 GE Annotated Reactive N#Cc1nc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2nc1C#N ZINC000587161776 GE Annotated Mild COC(=O)c1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cn1 ZINC000587162372 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc12 ZINC000587162501 GE Annotated Anodyne COC(=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2n1 ZINC000587163362 GE Annotated Anodyne O=C1CC=C(c2nc3c(S)nc(S)nc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164498 GE Annotated Anodyne O=C1COc2cc3[nH]c(C4=CCC(=O)N(Cc5ccc(F)cc5)N4)nc3cc2N1 ZINC000587164947 GE Annotated Anodyne N=c1[nH]cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc-2[nH]1 ZINC000587167284 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587168319 GE Annotated Anodyne NNC(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587168890 GE Annotated Reactive CN(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169380 GE Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)S(=O)(=O)c1ccc(F)cc1 ZINC000587169719 GE Annotated Anodyne CN(Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169728 GE Annotated Anodyne CN(Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169729 GE Annotated Anodyne CN(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169734 GE Annotated Anodyne CN(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169762 GE Annotated Anodyne COC(=O)c1cccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587169769 GE Annotated Anodyne CN(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169943 GE Annotated Anodyne N=c1[nH]cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc-2[nH]1 ZINC000587170016 GE Annotated Anodyne CN(Cc1nc2cc(Cl)nc(C#N)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170039 GE Annotated Mild N=c1[nH]cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc-2[nH]1 ZINC000587170118 GE Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cnnc(O)c2[nH]1)c1ccc(F)cc1 ZINC000587170780 GE Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cnnc(O)c2[nH]1)c1ccc(F)cc1 ZINC000587170781 GE Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)OCCO3)S(=O)(=O)c1ccc(F)cc1 ZINC000587170890 GE Annotated Anodyne O=C(c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587170933 GE Annotated Anodyne CN(C)C(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1 ZINC000587171019 GE Annotated Anodyne Nc1ncnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 ZINC000587171222 GE Annotated Anodyne Nc1ncnc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 ZINC000587171223 GE Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(O)ncnc2[nH]1)c1ccc(F)cc1 ZINC000587171541 GE Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(O)ncnc2[nH]1)c1ccc(F)cc1 ZINC000587171543 GE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171631 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587172130 GE Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(N)ccnc2[nH]1 ZINC000587178618 GE Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(N)ncc2[nH]1 ZINC000587178700 GE Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccnc(N)c2[nH]1 ZINC000587179263 GE Annotated Anodyne Cn1nc(-c2nc3ccc(F)cc3[nH]2)c(I)c1C(=O)O ZINC000587179802 GE Annotated Anodyne COc1cccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587180051 GE Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(O)nncc2[nH]1 ZINC000587180268 GE Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(O)nncc2[nH]1 ZINC000587180271 GE Annotated Anodyne Cn1nc(-c2nc3cccc(F)c3[nH]2)c(I)c1C(=O)O ZINC000587180545 GE Annotated Anodyne Cc1cc2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2c(C)n1 ZINC000587180576 GE Annotated Anodyne Cc1cc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2c(C)n1 ZINC000587180614 GE Annotated Anodyne Cn1nc(-c2nc3ccc(C#N)cc3[nH]2)c(I)c1C(=O)O ZINC000587180615 GE Annotated Mild COc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)c(I)c1 ZINC000587180690 GE Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(N)ncc2[nH]1 ZINC000587180708 GE Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nc(N)ncc2[nH]1 ZINC000587180710 GE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 ZINC000587181120 GE Annotated Unstable COc1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1 ZINC000587181540 GE Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(O)ncnc2[nH]1 ZINC000587181575 GE Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(O)ncnc2[nH]1 ZINC000587181576 GE Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ncnc(N)c2[nH]1 ZINC000587181592 GE Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2ncnc(N)c2[nH]1 ZINC000587181593 GE Annotated Anodyne Cn1nc(-c2nc3cccc(C#N)c3[nH]2)c(I)c1C(=O)O ZINC000587181670 GE Annotated Mild Cc1cc(F)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 ZINC000587181719 GE Annotated Anodyne CC(=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587181734 GE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cncc(Cl)c3[nH]2)n1 ZINC000587181747 GE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccnc(Cl)c3[nH]2)n1 ZINC000587181788 GE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(Cl)nc3[nH]2)n1 ZINC000587181831 GE Annotated Anodyne Cc1cc2[nH]c(-c3nc(O)nc(O)c3I)nc2c(C)n1 ZINC000587181836 GE Annotated Anodyne COc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1C ZINC000587181922 GE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Cl)ncc3[nH]2)n1 ZINC000587181926 GE Annotated Anodyne Cc1c(F)ccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587182247 GE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Cl)cnc3[nH]2)n1 ZINC000587182428 GE Annotated Anodyne Cc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1F ZINC000587182594 GE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587182771 GE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587182776 GE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587182907 GE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587182908 GE Annotated Anodyne COc1cccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587182916 GE Annotated Anodyne Nc1nc(O)c2nc(-c3cc(I)ccc3Cl)[nH]c2n1 ZINC000587183164 GE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(F)c(F)cc3[nH]2)n1 ZINC000587183282 GE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(Cl)ccnc3[nH]2)n1 ZINC000587183418 GE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(F)cc(F)c3[nH]2)n1 ZINC000587183446 GE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(F)c(F)c3[nH]2)n1 ZINC000587183459 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cncc(I)c3)nc12 ZINC000587184226 GE Annotated Anodyne CC[C@@H](c1nc2ccnc(N)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184235 GE Annotated Anodyne CC[C@H](c1nc2ccnc(N)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184236 GE Annotated Anodyne Nc1ccnc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc12 ZINC000587184269 GE Annotated Anodyne Nc1ccnc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc12 ZINC000587184273 GE Annotated Anodyne Nc1nc(O)c2nc(/C=C\c3cccc(I)c3)[nH]c2n1 ZINC000587184412 GE Annotated Anodyne Nc1nc(O)c2nc(/C=C/c3cccc(I)c3)[nH]c2n1 ZINC000587184416 GE Annotated Anodyne CC[C@H](c1nc2cc(N)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587184672 GE Annotated Anodyne CC[C@@H](c1nc2cc(N)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587184673 GE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(F)cccc3[nH]2)n1 ZINC000587184912 GE Annotated Anodyne CC[C@H](c1nc2cnnc(O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184990 GE Annotated Anodyne CC[C@@H](c1nc2cnnc(O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184994 GE Annotated Anodyne Nc1nc(O)c2nc(-c3cc(Cl)cc(I)c3)[nH]c2n1 ZINC000587185182 GE Annotated Anodyne O=C(O)c1nn(Cc2nc3cccc(F)c3[nH]2)cc1I ZINC000587185283 GE Annotated Anodyne Ic1cncc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587185294 GE Annotated Anodyne CC[C@H](c1nc2c(N)ncnc2[nH]1)n1cc(I)c(C)n1 ZINC000587185296 GE Annotated Anodyne CC[C@@H](c1nc2c(N)ncnc2[nH]1)n1cc(I)c(C)n1 ZINC000587185297 GE Annotated Anodyne CC[C@H](c1nc2c(O)ncnc2[nH]1)n1cc(I)c(C)n1 ZINC000587185340 GE Annotated Anodyne CC[C@@H](c1nc2c(O)ncnc2[nH]1)n1cc(I)c(C)n1 ZINC000587185343 GE Annotated Anodyne COC(=O)c1cc2nc(-c3cncc(I)c3)[nH]c2cn1 ZINC000587185416 GE Annotated Anodyne COc1cccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587185440 GE Annotated Anodyne Cc1cc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2c(C)n1 ZINC000587185626 GE Annotated Anodyne COC(=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2n1 ZINC000587185707 GE Annotated Anodyne Oc1nc2cc3nc(-c4nccnc4I)[nH]c3cc2[nH]1 ZINC000587185834 GE Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3nccnc3I)[nH]c12 ZINC000587185851 GE Annotated Anodyne Nc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cn1 ZINC000587185878 GE Annotated Anodyne Nc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cn1 ZINC000587185880 GE Annotated Anodyne Nc1nccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587185882 GE Annotated Anodyne Nc1nccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587185885 GE Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(F)cc3[nH]2)cc1I ZINC000587185957 GE Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186096 GE Annotated Anodyne Cc1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587186101 GE Annotated Anodyne Cc1cc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c(C)n1 ZINC000587186213 GE Annotated Anodyne O=C(O)c1cc2nc(-c3nccnc3I)[nH]c2cc1F ZINC000587186268 GE Annotated Anodyne Ic1nccnc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587186345 GE Annotated Anodyne Cc1cccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587186439 GE Annotated Anodyne Cc1cccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587186569 GE Annotated Anodyne COC(=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186682 GE Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186700 GE Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186701 GE Annotated Anodyne FC(F)(F)c1ncc2nc(-c3nccnc3I)nc-2[nH]1 ZINC000587186716 GE Annotated Anodyne COC(=O)c1cccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186741 GE Annotated Anodyne Nc1nccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587187547 GE Annotated Anodyne Nc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cn1 ZINC000587187875 GE Annotated Anodyne Nc1ccnc2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587187907 GE Annotated Anodyne O=C(O)CCN(CCc1nc2c(S)nc(S)nc2[nH]1)Cc1ccccc1 ZINC000587193413 GE Annotated Anodyne O=C(O)CCN(CCc1nc2cc3c(cc2[nH]1)OCC(=O)N3)Cc1ccccc1 ZINC000587193574 GE Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(-n3cnnn3)cc2[nH]1)Cc1ccccc1 ZINC000587193660 GE Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587193674 GE Annotated Anodyne COC(=O)c1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587193680 GE Annotated Anodyne COC(=O)c1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cn1 ZINC000587193868 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc12 ZINC000587194040 GE Annotated Anodyne COC(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2n1 ZINC000587194057 GE Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587194122 GE Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587194123 GE Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587194124 GE Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587194125 GE Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(I)cnc2[nH]1 ZINC000587194272 GE Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587194279 GE Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587194465 GE Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587194466 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 ZINC000587194489 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 ZINC000587194490 GE Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587194592 GE Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587194593 GE Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587194926 GE Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587194929 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1 ZINC000587195110 GE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1 ZINC000587195882 GE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C[C@H]1CCCO1 ZINC000587196707 GE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C[C@@H]1CCCO1 ZINC000587196715 GE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(O)nc(S)nc2[nH]1)C[C@H]1CCCO1 ZINC000587197448 GE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(O)nc(S)nc2[nH]1)C[C@@H]1CCCO1 ZINC000587197449 GE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2nc(C#N)c(C#N)nc2[nH]1)C[C@H]1CCCO1 ZINC000587197515 GE Annotated Mild CC(C)(C)OC(=O)N(Cc1nc2nc(C#N)c(C#N)nc2[nH]1)C[C@@H]1CCCO1 ZINC000587197520 GE Annotated Mild CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587197843 GE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(C(=O)NN)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197858 GE Annotated Reactive CC(C)(C)OC(=O)N(Cc1nc2ccc(C(=O)NN)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197859 GE Annotated Reactive CC(C)(C)OC(=O)N(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197894 GE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197895 GE Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc12 ZINC000587202073 GE Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc12 ZINC000587202074 GE Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2c1 ZINC000587203123 GE Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc2c1 ZINC000587203131 GE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587203159 GE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587203160 GE Annotated Anodyne C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587203298 GE Annotated Anodyne C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587203374 GE Annotated Anodyne Cc1nc2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2cc1Br ZINC000587203828 GE Annotated Anodyne Cc1nc2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc2cc1Br ZINC000587203829 GE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587204648 GE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587204649 GE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587205130 GE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587205131 GE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587205166 GE Annotated Mild CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587205167 GE Annotated Mild CCOC(=O)c1nnn(Cc2cc3c4c(cccc4n2)CC3)c1C(=O)OCC ZINC000587210417 GE Annotated Anodyne Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O)CC3 ZINC000587212057 GE Annotated Anodyne Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O)CC3 ZINC000587212061 GE Annotated Anodyne Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O)CC3 ZINC000587212062 GE Annotated Anodyne Cc1nc2cccc3c2c(c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O)CC3 ZINC000587212063 GE Annotated Anodyne CN1C=N[C@@H]2[C@H]1C(=O)N(CCCCc1cc3c4c(cccc4n1)CC3)C(=O)N2C ZINC000587213100 GE Annotated Anodyne CN1C(=O)N(CCCCc2cc3c4c(cccc4n2)CC3)C(=O)[C@H]2[C@H]1N=CN2C ZINC000587213107 GE Annotated Anodyne CN1C=N[C@H]2[C@H]1C(=O)N(CCCCc1cc3c4c(cccc4n1)CC3)C(=O)N2C ZINC000587213110 GE Annotated Anodyne CN1C=N[C@H]2[C@@H]1C(=O)N(CCCCc1cc3c4c(cccc4n1)CC3)C(=O)N2C ZINC000587213116 GE Annotated Anodyne COC(=O)c1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1OC ZINC000587223346 GE Annotated Anodyne COC(=O)c1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1OC ZINC000587223347 GE Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2nc(Br)c[nH]c-2n1 ZINC000587224816 GE Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2nc(Br)c[nH]c-2n1 ZINC000587224821 GE Annotated Anodyne COC(=O)c1cc2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2cc1OC ZINC000587225692 GE Annotated Anodyne COC(=O)c1cc2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2cc1OC ZINC000587225694 GE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587226882 GE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587227380 GE Annotated Bother N#Cc1nc(Cl)cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c12 ZINC000587227742 GE Annotated Mild Cc1cc2[nH]c(CNC(=O)CNC(=O)OCc3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587227828 GE Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(C(N)=O)c3[nH]2)cc1 ZINC000587228177 GE Annotated Anodyne O=C(O)CNCCNCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587228433 GE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(C(=O)OC)ccnc3[nH]2)cc1 ZINC000587228560 GE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000587228845 GE Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587228890 GE Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C(=O)OC)nc3[nH]2)cc1 ZINC000587228898 GE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(=O)OC)ncc3[nH]2)cc1 ZINC000587229021 GE Annotated Anodyne O=C(O)CNCCNCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587229109 GE Annotated Anodyne O=C(O)CNCCNCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587229229 GE Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587229256 GE Annotated Anodyne CC(C)COc1cc2nc(CNCCNCC(=O)O)[nH]c2cc1Br ZINC000587229566 GE Annotated Anodyne O=C(O)CNCCNCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587229569 GE Annotated Anodyne CCNC(=O)CCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587229807 GE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C)cnc3[nH]2)c1 ZINC000587229929 GE Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230023 GE Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230024 GE Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230025 GE Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230026 GE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(O)c3[nH]2)c1 ZINC000587230224 GE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587230849 GE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587230854 GE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587230856 GE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587230859 GE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(C)nccc3[nH]2)c1 ZINC000587230877 GE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587230912 GE Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587230920 GE Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587230922 GE Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587230923 GE Annotated Bother COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(F)cnc3[nH]2)c1 ZINC000587230933 GE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587231189 GE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587231191 GE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587231193 GE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587231194 GE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587231515 GE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587231519 GE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587231520 GE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587231521 GE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(C#N)cc3[nH]2)c1 ZINC000587231765 GE Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587231821 GE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587231824 GE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587231826 GE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587231828 GE Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)c(C2CC2)n1 ZINC000587232143 GE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587232282 GE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587232283 GE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587232284 GE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587232285 GE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(CO)cc3[nH]2)c1 ZINC000587232528 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587232698 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587232720 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587233937 GE Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=O)NN)cc3[nH]2)CCC(=O)CC1 ZINC000587234125 GE Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587234184 GE Annotated Anodyne CC(=O)NC1(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CCC(C)CC1 ZINC000587234469 GE Annotated Anodyne CC(=O)NC1(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CCC(C)CC1 ZINC000587234581 GE Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCC(=O)CC1 ZINC000587234590 GE Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(O)nc(S)nc3[nH]2)CCC(=O)CC1 ZINC000587234862 GE Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CCC(=O)CC1 ZINC000587234977 GE Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CCC(O)CC1 ZINC000587236696 GE Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587236762 GE Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587236763 GE Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587236764 GE Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587236765 GE Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc12 ZINC000587237219 GE Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2n1 ZINC000587237242 GE Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCC(O)CC1 ZINC000587237283 GE Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(O)nc(S)nc3[nH]2)CCC(O)CC1 ZINC000587237286 GE Annotated Anodyne COC(=O)c1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cn1 ZINC000587237785 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)ncnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238351 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)ncnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238359 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)ncnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238360 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)ncnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238361 GE Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)c(O)c1 ZINC000587240392 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c[nH]c(=N)[nH]c-3n2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240846 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c[nH]c(=N)[nH]c-3n2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240849 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c[nH]c(=N)[nH]c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240851 GE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c[nH]c(=N)[nH]c-3n2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240853 GE Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000587244791 GE Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000587244881 GE Annotated Mild COC(=O)Nc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cn1 ZINC000587245422 GE Annotated Anodyne NCCOCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587245763 GE Annotated Anodyne NCCOCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587246879 GE Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(I)cnc2[nH]1 ZINC000587249065 GE Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(CC(=O)O)c(N)c4)[nH]c3c2)NNC(=O)C1 ZINC000587249301 GE Annotated Anodyne Nc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1CC(=O)O ZINC000587249872 GE Annotated Anodyne CC1=C(c2ccc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c3c2)NNC(=O)C1 ZINC000587250212 GE Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587250759 GE Annotated Anodyne Nc1ccc(/C=C\c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000587251470 GE Annotated Anodyne Nc1ccc(/C=C/c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000587251471 GE Annotated Anodyne Nc1ccc(/C=C\c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000587252055 GE Annotated Anodyne Nc1ccc(/C=C/c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000587252056 GE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc(N)nc3O)nc2c1 ZINC000587253132 GE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c12 ZINC000587253449 GE Annotated Anodyne Nc1ncc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(O)n1 ZINC000587253824 GE Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3=C(N)C(C)(C)OC3=O)nc2c1 ZINC000587254642 GE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587256683 GE Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)C4COC4)[nH]c3c2)cc1 ZINC000587256995 GE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)C3COC3)[nH]c2c1 ZINC000587257114 GE Annotated Anodyne COC(=O)CC[C@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587258258 GE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)CCC(=O)OC)nc2c1 ZINC000587258380 GE Annotated Anodyne COC(=O)CC[C@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587259688 GE Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587259862 GE Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587259988 GE Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587260083 GE Annotated Anodyne COc1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261125 GE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261284 GE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261285 GE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261286 GE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261287 GE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261350 GE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261351 GE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261352 GE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261353 GE Annotated Bother Cc1cc(C#Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261533 GE Annotated Mild COC(=O)c1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1OC ZINC000587261719 GE Annotated Mild CN(C)C(=O)c1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587262082 GE Annotated Mild COc1cc(OCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262113 GE Annotated Bother O=CC(C=O)c1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1[N+](=O)[O-] ZINC000587262503 GE Annotated Mild O=CC(C=O)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1[N+](=O)[O-] ZINC000587262546 GE Annotated Mild Cc1cc(C#Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262812 GE Annotated Mild COc1nccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 ZINC000587263210 GE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587263311 GE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587263313 GE Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccnc(O)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263320 GE Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(F)cnc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263417 GE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587263520 GE Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587263580 GE Annotated Bother COc1cncc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 ZINC000587263590 GE Annotated Bother COc1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2n1 ZINC000587263606 GE Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 ZINC000587263616 GE Annotated Bother CN1CCN(c2ccc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3c2)CC1 ZINC000587263851 GE Annotated Bother CCS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587264024 GE Annotated Bother COC(=O)c1cc2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2cc1OC ZINC000587264038 GE Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(S)nc2[nH]1 ZINC000587264099 GE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Cl)c[nH]c-2n1 ZINC000587264264 GE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Cl)c[nH]c-2n1 ZINC000587264266 GE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Cl)c[nH]c-2n1 ZINC000587264269 GE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Cl)c[nH]c-2n1 ZINC000587264270 GE Annotated Bother COC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1OC ZINC000587264635 GE Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587264645 GE Annotated Reactive COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1OC ZINC000587264818 GE Annotated Bother COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1OC ZINC000587264820 GE Annotated Bother COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1OC ZINC000587264821 GE Annotated Bother COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1OC ZINC000587264823 GE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587264950 GE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)c(N)cc2[nH]1 ZINC000587265055 GE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)c(N)cc2[nH]1 ZINC000587265065 GE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)c(N)cc2[nH]1 ZINC000587265066 GE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)c(N)cc2[nH]1 ZINC000587265067 GE Annotated Bother CCS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587265213 GE Annotated Bother CCS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587265221 GE Annotated Bother CCS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587265223 GE Annotated Bother CCS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587265225 GE Annotated Bother COCCNc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587265292 GE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(Cl)[nH]c-2n1 ZINC000587265506 GE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(Cl)[nH]c-2n1 ZINC000587265507 GE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(Cl)[nH]c-2n1 ZINC000587265508 GE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(Cl)[nH]c-2n1 ZINC000587265510 GE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)ncnc2[nH]1 ZINC000587265514 GE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)ncnc2[nH]1 ZINC000587265516 GE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)ncnc2[nH]1 ZINC000587265518 GE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)ncnc2[nH]1 ZINC000587265519 GE Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265784 GE Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3nc(Br)c[nH]c-3n2)c([N+](=O)[O-])c1 ZINC000587265976 GE Annotated Bother CN(C)CCOc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587266037 GE Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587266135 GE Annotated Mild COC(=O)c1cc2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc2cc1OC ZINC000587266303 GE Annotated Bother COC(=O)c1cc2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc2cc1OC ZINC000587266305 GE Annotated Bother COC(=O)c1cc2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc2cc1OC ZINC000587266307 GE Annotated Bother COC(=O)c1cc2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc2cc1OC ZINC000587266309 GE Annotated Bother COCCOc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1[N+](=O)[O-] ZINC000587266513 GE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587266659 GE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587266661 GE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587266662 GE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587266663 GE Annotated Bother COc1nccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587266969 GE Annotated Bother COc1nccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587266971 GE Annotated Bother COc1nccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587266973 GE Annotated Bother COc1nccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587266975 GE Annotated Bother COc1cncc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587266992 GE Annotated Bother COc1cncc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587266994 GE Annotated Bother COc1cncc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587266995 GE Annotated Bother COc1cncc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587266996 GE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CO)cc2[nH]1 ZINC000587267003 GE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CO)cc2[nH]1 ZINC000587267004 GE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CO)cc2[nH]1 ZINC000587267005 GE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CO)cc2[nH]1 ZINC000587267006 GE Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587267008 GE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cnc2[nH]1 ZINC000587267110 GE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cnc2[nH]1 ZINC000587267111 GE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cnc2[nH]1 ZINC000587267112 GE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cnc2[nH]1 ZINC000587267113 GE Annotated Bother COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cn1 ZINC000587267190 GE Annotated Bother COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cn1 ZINC000587267193 GE Annotated Bother COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cn1 ZINC000587267194 GE Annotated Bother COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cn1 ZINC000587267195 GE Annotated Bother COc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2n1 ZINC000587267458 GE Annotated Bother COc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2n1 ZINC000587267459 GE Annotated Bother COc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2n1 ZINC000587267460 GE Annotated Bother COc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2n1 ZINC000587267461 GE Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(O)nc(O)nc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267859 GE Annotated Bother CC1=C(c2ccc3nc([C@@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3c2)NNC(=O)C1 ZINC000587267903 GE Annotated Bother CC1=C(c2ccc3nc([C@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3c2)NNC(=O)C1 ZINC000587267910 GE Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587268164 GE Annotated Bother Nc1ncc(-c2nc3cc(I)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000587268291 GE Annotated Bother Nc1ncc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1[N+](=O)[O-] ZINC000587268301 GE Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587268486 GE Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(I)cnc2[nH]1 ZINC000587268885 GE Annotated Bother NS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 ZINC000587269012 GE Annotated Bother CC1=C(c2ccc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 ZINC000587269167 GE Annotated Bother N#Cc1nc(Cl)cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587269402 GE Annotated Mild CN(C)C(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587269645 GE Annotated Bother O=C1COc2cc3[nH]c(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)nc3cc2N1 ZINC000587269755 GE Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587269779 GE Annotated Bother NS(=O)(=O)c1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 ZINC000587269793 GE Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2nc(Br)c[nH]c-2n1 ZINC000587269805 GE Annotated Bother CN1CCN(c2ccc3nc([C@@H](N)Cc4ccc([N+](=O)[O-])cc4)[nH]c3c2)CC1 ZINC000587270050 GE Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4nc(Br)c[nH]c-4n3)nn2)c1 ZINC000587270259 GE Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)nn2)c1 ZINC000587270263 GE Annotated Bother CC1=C(c2ccc3nc([C@@H](N)Cc4ccc([N+](=O)[O-])cc4)[nH]c3c2)NNC(=O)C1 ZINC000587270601 GE Annotated Bother N[C@@H](CCc1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270995 GE Annotated Bother N[C@@H](CCc1nc2ccc([C@H](N)N=O)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270996 GE Annotated Bother Cc1c(Cl)ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271245 GE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587271647 GE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc3ncccc3c2[nH]1 ZINC000587271849 GE Annotated Bother C=CCc1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587272106 GE Annotated Mild N[C@@H](CCc1nc2cccc(C(=O)O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587272298 GE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(Cl)c2[nH]1 ZINC000587272595 GE Annotated Bother Cc1cc(Cl)cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587272632 GE Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587272906 GE Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(I)cnc2[nH]1 ZINC000587273007 GE Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(I)cnc3[nH]2)n1 ZINC000587273116 GE Annotated Bother N[C@@H](CCc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587273252 GE Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)n1 ZINC000587273533 GE Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])nn3C)nc2c1 ZINC000587273548 GE Annotated Bother CC1=C(c2ccc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3c2)NNC(=O)C1 ZINC000587273573 GE Annotated Bother Cc1cc([N+](=O)[O-])nn1CC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273729 GE Annotated Bother CSc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587273910 GE Annotated Bother CC(C)(C)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000587274120 GE Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587274596 GE Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c1 ZINC000587274752 GE Annotated Bother CC1=C(c2ccc3nc([C@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3c2)NNC(=O)C1 ZINC000587274840 GE Annotated Bother CC1=C(c2ccc3nc([C@@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3c2)NNC(=O)C1 ZINC000587274847 GE Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(I)cnc2[nH]1 ZINC000587274901 GE Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(I)cnc2[nH]1 ZINC000587274902 GE Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587274987 GE Annotated Bother COCc1nn(C)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275953 GE Annotated Anodyne CCn1ncc([N+](=O)[O-])c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276242 GE Annotated Bother Cn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C(=O)Cl)n1 ZINC000587276361 GE Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587276573 GE Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587276574 GE Annotated Bother COCCn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)cn1 ZINC000587276652 GE Annotated Anodyne CCn1cc([N+](=O)[O-])c(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 ZINC000587276687 GE Annotated Bother COC(=O)c1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 ZINC000587276892 GE Annotated Anodyne O=C(Cc1sc(O)nc1O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276989 GE Annotated Anodyne Cn1cc(C(=O)Cl)c(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 ZINC000587277092 GE Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587277426 GE Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587277427 GE Annotated Bother C[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)n1cc([N+](=O)[O-])cn1 ZINC000587277430 GE Annotated Bother C[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)n1cc([N+](=O)[O-])cn1 ZINC000587277431 GE Annotated Bother C[C@@H](c1nc2cc(I)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277520 GE Annotated Bother C[C@H](c1nc2cc(I)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277521 GE Annotated Bother [N-]=[N+]=C[C@]1(CC[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335142 GE Annotated Clean [N-]=[N+]=C[C@@]1(CC[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335160 GE Annotated Clean [N-]=[N+]=C[C@]1(CC[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335165 GE Annotated Clean [N-]=[N+]=C[C@@]1(CC[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335170 GE Annotated Clean C[C@]1(CC(=O)NCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337387 GE Annotated Anodyne C[C@@]1(CC(=O)NCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337401 GE Annotated Anodyne C[C@@]1(CC(=O)NCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337404 GE Annotated Anodyne C[C@]1(CC(=O)NCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337406 GE Annotated Anodyne C[C@@]1(CN2C(=O)COCC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340368 GE Annotated Anodyne C[C@@]1(CN2C(=O)COCC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340370 GE Annotated Anodyne C[C@]1(CN2C(=O)COCC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340372 GE Annotated Anodyne C[C@]1(CN2C(=O)COCC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340373 GE Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CN[C@@H](C(=O)O)[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587346367 GE Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CN[C@@H](C(=O)O)[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587346371 GE Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]21 ZINC000587346374 GE Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]21 ZINC000587346377 GE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349039 GE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349041 GE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349042 GE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349044 GE Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CO1 ZINC000587356102 GE Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CO1 ZINC000587356103 GE Annotated Anodyne O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CO1 ZINC000587356104 GE Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CO1 ZINC000587356105 GE Annotated Anodyne O=C(O)C1=CC(=O)[C@@]2(CO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587360005 GE Annotated Mild O=C(O)C1=CC(=O)[C@]2(CO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587360009 GE Annotated Mild O=C(O)C1=CC(=O)[C@]2(CO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587360011 GE Annotated Mild O=C(O)C1=CC(=O)[C@@]2(CO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587360013 GE Annotated Mild O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1cc(Br)ccc1O ZINC000587365417 GE Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(Br)cc1 ZINC000587366142 GE Annotated Anodyne O=C1C=C(Br)C(=O)c2oc(-c3ccc4c(O)nc(O)nc4n3)cc21 ZINC000587366179 GE Annotated Mild O=C1COc2cc(-c3ccc4c(O)nc(O)nc4n3)c(Br)cc2N1 ZINC000587366232 GE Annotated Anodyne O=[N+]([O-])c1cc(Br)cc(-c2ccc3c(O)nc(O)nc3n2)c1O ZINC000587366433 GE Annotated Bother Oc1nc(O)c2ccc(-c3nc(Br)cnc3Br)nc2n1 ZINC000587367284 GE Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccccc1Br ZINC000587367562 GE Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1Br ZINC000587367579 GE Annotated Anodyne COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1S(=O)(=O)C(F)F ZINC000587368270 GE Annotated Anodyne O=S(=O)(CC(F)(F)F)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587368375 GE Annotated Anodyne O=S(=O)(Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(F)(F)F ZINC000587368483 GE Annotated Unstable CC(=O)N1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2Cl)CC1 ZINC000587368882 GE Annotated Anodyne COc1cc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)c(OC)cc1Cl ZINC000587369105 GE Annotated Anodyne Nc1ccc(I)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587369206 GE Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000587369264 GE Annotated Bother Oc1nc(O)c2ccc(-c3cc(I)ccc3O)nc2n1 ZINC000587369801 GE Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(O)c(I)c3)nc2n1 ZINC000587369832 GE Annotated Anodyne Cc1nc(O)c(I)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587369939 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)C(F)(F)F)/C1=C\N(C)C)O2 ZINC000587381390 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)C(F)(F)F)/C1=C\N(C)C)O2 ZINC000587381391 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)C(F)(F)F)/C1=C/N(C)C)O2 ZINC000587381392 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)C(F)(F)F)/C1=C/N(C)C)O2 ZINC000587381393 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCC(=O)O)c2cc(F)ccc21 ZINC000587383251 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCC(=O)O)c2cc(F)ccc21 ZINC000587383258 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N(c3ccc(F)cc3)N=C1C(=O)O)O2 ZINC000587384318 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N(c3ccc(F)cc3)N=C1C(=O)O)O2 ZINC000587384319 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCC(=O)O)(c1ccccc1)O2 ZINC000587385847 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCC(=O)O)(c1ccccc1)O2 ZINC000587385851 GE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386918 GE Annotated Mild COC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386925 GE Annotated Mild CCOC(=O)C(=O)NC[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387165 GE Annotated Anodyne CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387167 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN)(c1ncn(Cc3ccccc3)c1N)O2 ZINC000587389079 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN)(c1ncn(Cc3ccccc3)c1N)O2 ZINC000587389083 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCOCC1)(c1c(C)nn(C)c1C)O2 ZINC000587389332 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCOCC1)(c1c(C)nn(C)c1C)O2 ZINC000587389333 GE Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCC(N)=O ZINC000587389373 GE Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCC(N)=O ZINC000587389385 GE Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587389712 GE Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587389713 GE Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587391279 GE Annotated Anodyne CCn1ncc([C@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587391283 GE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391843 GE Annotated Bother COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391845 GE Annotated Bother CCn1cc([C@@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587392237 GE Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587392238 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN1CCOCC1)(c1cn(C)nc1C)O2 ZINC000587392547 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCN1CCOCC1)(c1cn(C)nc1C)O2 ZINC000587392553 GE Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1nnnn1C ZINC000587392665 GE Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1nnnn1C ZINC000587392666 GE Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393091 GE Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393100 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587393639 GE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587393647 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2 ZINC000587394698 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2 ZINC000587394699 GE Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587394884 GE Annotated Anodyne COC(=O)[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587394887 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N2CCCc3cc(C(=O)O)cc1c32 ZINC000587394927 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N2CCCc3cc(C(=O)O)cc1c32 ZINC000587394930 GE Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395175 GE Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395176 GE Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395177 GE Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395178 GE Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587395514 GE Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587395515 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ncnc4c3cnn4C)CC1)O2 ZINC000587396281 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2 ZINC000587397271 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)O2 ZINC000587397272 GE Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397320 GE Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397321 GE Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397324 GE Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397327 GE Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OCC ZINC000587399373 GE Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OCC ZINC000587399376 GE Annotated Anodyne CCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2CC(=O)O ZINC000587400056 GE Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2CC(=O)O ZINC000587400057 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(N3CCOCC3)ccc21 ZINC000587400517 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(N3CCOCC3)ccc21 ZINC000587400525 GE Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587402379 GE Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587402380 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587406348 GE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587406351 GE Annotated Bother COc1ccc([C@@]2(CS(C)(=O)=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587406409 GE Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587406412 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(COP(=O)(O)O)cnc(C)c1O)O2 ZINC000587407490 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(COP(=O)(O)O)cnc(C)c1O)O2 ZINC000587407492 GE Annotated Anodyne COc1ccc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1S(N)(=O)=O ZINC000587407966 GE Annotated Anodyne COc1ccc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1S(N)(=O)=O ZINC000587407968 GE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408300 GE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408307 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@@]1(CS(N)(=O)=O)C3(C)C)O2 ZINC000587408494 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@]1(CS(N)(=O)=O)C3(C)C)O2 ZINC000587408496 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@@]1(CS(N)(=O)=O)C3(C)C)O2 ZINC000587408497 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@]1(CS(N)(=O)=O)C3(C)C)O2 ZINC000587408498 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1C(=O)c3ccccc3S1(=O)=O)O2 ZINC000587408742 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CN1C(=O)c3ccccc3S1(=O)=O)O2 ZINC000587408762 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1C)O2 ZINC000587408837 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1C)O2 ZINC000587408840 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1C)O2 ZINC000587408841 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1C)O2 ZINC000587408843 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(O)c(S(C)(=O)=O)cc31)O2 ZINC000587409125 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(O)c(S(C)(=O)=O)cc31)O2 ZINC000587409127 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(CCS(C)(=O)=O)c1C)O2 ZINC000587410329 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn(CCS(C)(=O)=O)c1C)O2 ZINC000587410330 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn([C@@]3(C)CCS(=O)(=O)C3)c1)O2 ZINC000587410480 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn([C@]3(C)CCS(=O)(=O)C3)c1)O2 ZINC000587410481 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn([C@]3(C)CCS(=O)(=O)C3)c1)O2 ZINC000587410482 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn([C@@]3(C)CCS(=O)(=O)C3)c1)O2 ZINC000587410483 GE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21 ZINC000587411024 GE Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21 ZINC000587411027 GE Annotated Unstable CCOC(=O)[C@@]1(c2csc(NC=O)n2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415268 GE Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415277 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Br)c1)(C(O)O)[C@@H](C2)C3=O ZINC000587416891 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Br)c1)(C(O)O)[C@@H](C2)C3=O ZINC000587416892 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(OCC(N)=O)cc1)[C@@H](C2)C3=O ZINC000587417212 GE Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(OCC(N)=O)cc1)[C@@H](C2)C3=O ZINC000587417213 GE Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CC(N)=O)c1C)[C@@H](C2)C3=O ZINC000587417714 GE Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CC(N)=O)c1C)[C@@H](C2)C3=O ZINC000587417715 GE Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587417947 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587417949 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(Cl)nc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587419482 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(Cl)nc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587419484 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ncc(Br)cc41)[C@@H](C2)C3=O ZINC000587419783 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ncc(Br)cc41)[C@@H](C2)C3=O ZINC000587419785 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ncnc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587420599 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ncnc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587420603 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)C(F)(F)F)/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587422163 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)C(F)(F)F)/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587422168 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)C(F)(F)F)/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587422170 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)C(F)(F)F)/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587422173 GE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427143 GE Annotated Mild COC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427145 GE Annotated Mild CCOC(=O)CCCC(=O)NCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428840 GE Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428841 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(CCC(=O)O)c4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587429396 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(CCC(=O)O)c4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587429401 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCOCC1)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587429762 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCOCC1)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587429769 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCN1CCOCC1)(c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587429892 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](CCN1CCOCC1)(c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587429901 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNC(=O)CCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587430088 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)CCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587430090 GE Annotated Anodyne CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430091 GE Annotated Anodyne CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430093 GE Annotated Anodyne CCC(=O)N[C@@H](O)[C@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430094 GE Annotated Anodyne CCC(=O)N[C@@H](O)[C@@]1(c2ccc(C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430096 GE Annotated Anodyne CCOC(=O)C(=O)NC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430599 GE Annotated Anodyne CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430604 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587430713 GE Annotated Bother COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587430716 GE Annotated Bother COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587430718 GE Annotated Bother COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587430720 GE Annotated Bother CNC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587431858 GE Annotated Anodyne CNC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587431862 GE Annotated Anodyne CCn1ncc([C@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587432115 GE Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587432116 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](CN)(c1ncn(Cc4ccccc4)c1N)[C@@H](C2)C3=O ZINC000587432279 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN)(c1ncn(Cc4ccccc4)c1N)[C@@H](C2)C3=O ZINC000587432282 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O ZINC000587432415 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O ZINC000587432416 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(/C(=C/N(C)C)n1cc([N+](=O)[O-])cn1)[C@@H](C2)C3=O ZINC000587432756 GE Annotated Bother COc1cc2c3c(c1)O[C@@](C)(/C(=C/N(C)C)n1cc([N+](=O)[O-])cn1)[C@@H](C2)C3=O ZINC000587432758 GE Annotated Bother COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@H]1CC(=O)O)[C@@H](C2)C3=O ZINC000587432829 GE Annotated Bother COc1cc2c3c(c1)O[C@@]1(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]1CC(=O)O)[C@@H](C2)C3=O ZINC000587432856 GE Annotated Bother COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@H](C[N+](=O)[O-])[C@H]1CC(=O)O)[C@@H](C2)C3=O ZINC000587432859 GE Annotated Bother COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]1CC(=O)O)[C@@H](C2)C3=O ZINC000587432862 GE Annotated Bother COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@H](C[N+](=O)[O-])[C@@H]1CC(=O)O)[C@@H](C2)C3=O ZINC000587432863 GE Annotated Bother CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(N)=O ZINC000587433475 GE Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(N)=O ZINC000587433476 GE Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587433536 GE Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587433538 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O[C@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O ZINC000587433802 GE Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(O[C@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O ZINC000587433803 GE Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1ccc(O[C@@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O ZINC000587433804 GE Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(O[C@@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O ZINC000587433805 GE Annotated Reactive CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587433931 GE Annotated Anodyne CCOC(=O)[C@@]1(CC(N)=O)CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587433936 GE Annotated Anodyne CCOC(=O)[C@@]1(CC(N)=O)CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587433939 GE Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587433941 GE Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2CC(=O)O ZINC000587434875 GE Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2CC(=O)O ZINC000587434877 GE Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4ncnc5c4cnn5C)CC1)[C@@H](C2)C3=O ZINC000587435034 GE Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587435381 GE Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587435385 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4nnnn4C)cc1)[C@@H](C2)C3=O ZINC000587435590 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4nnnn4C)cc1)[C@@H](C2)C3=O ZINC000587435593 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1C(=O)CCC1=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587435638 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1C(=O)CCC1=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587435639 GE Annotated Anodyne COC(=O)[C@H]1c2ccc(OC)nc2CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436181 GE Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436182 GE Annotated Anodyne COC(=O)[C@H]1c2ccc(OC)nc2CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436183 GE Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436184 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc4cc(C(=O)O)nn4c1C)[C@@H](C2)C3=O ZINC000587436191 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4cc(C(=O)O)nn4c1C)[C@@H](C2)C3=O ZINC000587436192 GE Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587436223 GE Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587436224 GE Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)N=O ZINC000587436323 GE Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)N=O ZINC000587436324 GE Annotated Anodyne COC(=O)[C@@H](C[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)N=O ZINC000587436325 GE Annotated Anodyne COC(=O)[C@@H](C[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)N=O ZINC000587436326 GE Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436333 GE Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436334 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4c(C(=O)O)cnn4c1C)[C@@H](C2)C3=O ZINC000587436363 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc4c(C(=O)O)cnn4c1C)[C@@H](C2)C3=O ZINC000587436364 GE Annotated Anodyne CCOC(=O)c1cnn2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cnc12 ZINC000587436487 GE Annotated Anodyne CCOC(=O)c1cnn2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cnc12 ZINC000587436489 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587436616 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587436617 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587436900 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587436901 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587436902 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587436903 GE Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436921 GE Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436922 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cn1c(=O)oc(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587436957 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cn1c(=O)oc(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587436958 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O ZINC000587437824 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O ZINC000587437826 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O ZINC000587437830 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O ZINC000587437832 GE Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cnccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438176 GE Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cnccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438177 GE Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cnccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438178 GE Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cnccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438179 GE Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438307 GE Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438308 GE Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587438442 GE Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587438452 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc5c(cc41)OCCCO5)[C@@H](C2)C3=O ZINC000587438581 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc5c(cc41)OCCCO5)[C@@H](C2)C3=O ZINC000587438582 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O ZINC000587438684 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O ZINC000587438687 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)C[C@@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587438699 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)C[C@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587438704 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)C[C@@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587438707 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)C[C@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587438711 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587438968 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587438970 GE Annotated Anodyne COc1ccc([C@]2(COCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587439066 GE Annotated Anodyne COc1ccc([C@@]2(COCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587439068 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N4CCCc5cc(C(=O)O)cc1c54)[C@@H](C2)C3=O ZINC000587439283 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N4CCCc5cc(C(=O)O)cc1c54)[C@@H](C2)C3=O ZINC000587439284 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCc4nnnn4C)c1)[C@@H](C2)C3=O ZINC000587440370 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4nnnn4C)c1)[C@@H](C2)C3=O ZINC000587440371 GE Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440720 GE Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440723 GE Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440991 GE Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440992 GE Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441312 GE Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441316 GE Annotated Anodyne CCOC(=O)CC[C@]1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441510 GE Annotated Anodyne CCOC(=O)CC[C@@]1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441513 GE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441600 GE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441613 GE Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442232 GE Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442233 GE Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442514 GE Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442515 GE Annotated Anodyne CCOC(=O)C(C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)OCC ZINC000587443106 GE Annotated Anodyne CCOC(=O)C(C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)OCC ZINC000587443108 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OCCO)cc1)(C(C)(C)O)[C@@H](C2)C3=O ZINC000587443711 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OCCO)cc1)(C(C)(C)O)[C@@H](C2)C3=O ZINC000587443716 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4CO[C@@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587443760 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H]4CO[C@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587443766 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]1CO4)[C@@H](C2)C3=O ZINC000587443770 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]1CO4)[C@@H](C2)C3=O ZINC000587443780 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H]4CO[C@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587443790 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4CO[C@@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587443797 GE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444176 GE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444178 GE Annotated Anodyne COC(=O)C1([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC(OC)(OC)C1 ZINC000587444625 GE Annotated Anodyne COC(=O)C1([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC(OC)(OC)C1 ZINC000587444626 GE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444949 GE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444950 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(COCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587445336 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(COCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587445337 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(N5CCOCC5)ccc41)[C@@H](C2)C3=O ZINC000587445360 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(N5CCOCC5)ccc41)[C@@H](C2)C3=O ZINC000587445361 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C=O)(c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587445782 GE Annotated Mild COc1cc2c3c(c1)O[C@](C=O)(c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587445783 GE Annotated Mild COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(CS(N)(=O)=O)C4(C)C)[C@@H](C2)C3=O ZINC000587447506 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CC[C@@]1(CS(N)(=O)=O)C4(C)C)[C@@H](C2)C3=O ZINC000587447507 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(CS(N)(=O)=O)C4(C)C)[C@@H](C2)C3=O ZINC000587447508 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4CC[C@@]1(CS(N)(=O)=O)C4(C)C)[C@@H](C2)C3=O ZINC000587447509 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1CCN(S(=O)(=O)C4CC4)CC1)[C@@H](C2)C3=O ZINC000587447740 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1CCN(S(=O)(=O)C4CC4)CC1)[C@@H](C2)C3=O ZINC000587447741 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](c1nc4ccccc4[nH]1)S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587447758 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](c1nc4ccccc4[nH]1)S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587447759 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](c1nc4ccccc4[nH]1)S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587447760 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](c1nc4ccccc4[nH]1)S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587447761 GE Annotated Anodyne CNS(=O)(=O)c1sccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448042 GE Annotated Anodyne CNS(=O)(=O)c1sccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448044 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(NS(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448616 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(NS(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448617 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587448618 GE Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587448619 GE Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448629 GE Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448630 GE Annotated Bother COc1cc2c3c(c1)OC1(CN(S(=O)(=O)c4ccc(C)cc4)C1)[C@@H](C2)C3=O ZINC000587448631 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](O)SCC(=O)O)[C@@H](C2)C3=O ZINC000587448917 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](O)SCC(=O)O)[C@@H](C2)C3=O ZINC000587448918 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](O)SCC(=O)O)[C@@H](C2)C3=O ZINC000587448919 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](O)SCC(=O)O)[C@@H](C2)C3=O ZINC000587448920 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)s1)(C(O)O)[C@@H](C2)C3=O ZINC000587448975 GE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)s1)(C(O)O)[C@@H](C2)C3=O ZINC000587448983 GE Annotated Anodyne COc1ccc([C@@]2(CS(C)(=O)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587449504 GE Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587449515 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587449517 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587449528 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(CN(C)S(C)(=O)=O)o1)[C@@H](C2)C3=O ZINC000587449573 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(CN(C)S(C)(=O)=O)o1)[C@@H](C2)C3=O ZINC000587449578 GE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCS(=O)(=O)CC4)cc1)[C@@H](C2)C3=O ZINC000587449701 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCS(=O)(=O)CC4)cc1)[C@@H](C2)C3=O ZINC000587449707 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(SCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587450380 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(SCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587450384 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4SCC1(CO)CO)[C@@H](C2)C3=O ZINC000587451160 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4SCC1(CO)CO)[C@@H](C2)C3=O ZINC000587451162 GE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H]2[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]42)[C@@H]1[C@@H]5C31OCCO1 ZINC000587452963 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C1(OCCO1)[C@H]42 ZINC000587452967 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@@H]2[C@H]4[C@@H]3[C@H]21 ZINC000587452972 GE Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@H]2[C@H]4[C@@H]3[C@H]21 ZINC000587452978 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(COC(=O)CCl)OCC1=O)CC2=O ZINC000587459364 GE Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=C(COC(=O)CCl)OCC1=O)CC2=O ZINC000587459372 GE Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(COC(COC(=O)CCl)=CC1=O)CC2=O ZINC000587461158 GE Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(COC(COC(=O)CCl)=CC1=O)CC2=O ZINC000587461159 GE Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@H](C#N)C(=O)OCC)CC2=O ZINC000587468169 GE Annotated Mild CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@@H](C#N)C(=O)OCC)CC2=O ZINC000587468176 GE Annotated Mild CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@H](C#N)C(=O)OCC)CC2=O ZINC000587468177 GE Annotated Mild CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@@H](C#N)C(=O)OCC)CC2=O ZINC000587468179 GE Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)(C(O)O)CC2=O ZINC000587470051 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)(C(O)O)CC2=O ZINC000587470052 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccn(C)n1)CC2=O ZINC000587474088 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccn(C)n1)CC2=O ZINC000587474089 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C(C)C)C[C@H]1C(=O)OCC ZINC000587474349 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C(C)C)C[C@@H]1C(=O)OCC ZINC000587474352 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C(C)C)C[C@@H]1C(=O)OCC ZINC000587474353 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C(C)C)C[C@H]1C(=O)OCC ZINC000587474354 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)ON1C(=O)CCC1=O)CC2=O ZINC000587475066 GE Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)ON1C(=O)CCC1=O)CC2=O ZINC000587475067 GE Annotated Mild CCCc1c(O)ccc2c1O[C@@](CN1CCOCC1)(c1cnn(C)c1)CC2=O ZINC000587475320 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1CCOCC1)(c1cnn(C)c1)CC2=O ZINC000587475321 GE Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CCN3CCOCC3)CC1)CC2=O ZINC000587475936 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cnn(C)c1)CC2=O ZINC000587476214 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cnn(C)c1)CC2=O ZINC000587476216 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)C[C@@H]1C(=O)OCC ZINC000587477537 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)C[C@H]1C(=O)OCC ZINC000587477541 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)C[C@@H]1C(=O)OCC ZINC000587478177 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)C[C@H]1C(=O)OCC ZINC000587478182 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC000587478437 GE Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC000587478455 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC000587478459 GE Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC000587478465 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccnn1C)CC2=O ZINC000587480049 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccnn1C)CC2=O ZINC000587480052 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(N)(=O)=O)(c1ccccc1N)CC2=O ZINC000587482793 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(N)(=O)=O)(c1ccccc1N)CC2=O ZINC000587482819 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(N)=O)c2ccccc21 ZINC000587485719 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(N)=O)c2ccccc21 ZINC000587485725 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC=Cn3c1ncc(C(=O)O)c3=O)CC2=O ZINC000587487913 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC=Cn3c1ncc(C(=O)O)c3=O)CC2=O ZINC000587487914 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCS(=O)(=O)C[C@@H]1C(=O)OCC)CC2=O ZINC000587494991 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCS(=O)(=O)C[C@H]1C(=O)OCC)CC2=O ZINC000587495020 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCS(=O)(=O)C[C@@H]1C(=O)OCC)CC2=O ZINC000587495024 GE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCS(=O)(=O)C[C@H]1C(=O)OCC)CC2=O ZINC000587495027 GE Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]2Cl ZINC000587497675 GE Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]2Cl ZINC000587497679 GE Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl ZINC000587497680 GE Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](Cl)C(=O)C(=O)[C@H]2Cl ZINC000587497681 GE Annotated Reactive COC(=O)C(=O)C[C@]1(c2ccn(C)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516938 GE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516939 GE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517087 GE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517088 GE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517636 GE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517637 GE Annotated Anodyne Cn1cc([C@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517788 GE Annotated Anodyne Cn1cc([C@@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517789 GE Annotated Anodyne O=C1C[C@@]2(C=C(CN3CCOCC3)OCC2=O)Oc2c1ccc1c2CCCC1 ZINC000587519142 GE Annotated Anodyne O=C1C[C@]2(C=C(CN3CCOCC3)OCC2=O)Oc2c1ccc1c2CCCC1 ZINC000587519143 GE Annotated Anodyne O=C1C[C@]2(COC(CN3CCOCC3)=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587519194 GE Annotated Mild O=C1C[C@@]2(COC(CN3CCOCC3)=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587519195 GE Annotated Mild NC(=O)CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587519320 GE Annotated Anodyne NC(=O)CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587519321 GE Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587527597 GE Annotated Anodyne COC(=O)c1cc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O ZINC000587527607 GE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530305 GE Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530308 GE Annotated Anodyne CCOC(=O)[C@H]1CS(=O)(=O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530309 GE Annotated Anodyne CCOC(=O)[C@H]1CS(=O)(=O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530310 GE Annotated Anodyne Nc1ccccc1[C@@]1(CS(N)(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532145 GE Annotated Anodyne Nc1ccccc1[C@]1(CS(N)(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532146 GE Annotated Anodyne CN(C)S(=O)(=O)n1ccnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532357 GE Annotated Anodyne CN(C)S(=O)(=O)n1ccnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532373 GE Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587532984 GE Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587532985 GE Annotated Anodyne CN(C)S(=O)(=O)n1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587533656 GE Annotated Anodyne CN(C)S(=O)(=O)n1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587533657 GE Annotated Anodyne CN(C)S(=O)(=O)n1nccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534511 GE Annotated Anodyne CN(C)S(=O)(=O)n1nccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534512 GE Annotated Anodyne COC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547268 GE Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547339 GE Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547341 GE Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547342 GE Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CN(C(=O)C(F)(F)F)C2 ZINC000587550620 GE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CN(C(=O)C(F)(F)F)C2 ZINC000587550621 GE Annotated Anodyne CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587553052 GE Annotated Anodyne CN(C)/C=C1/C[C@@H](NC(=O)OC(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587553055 GE Annotated Anodyne CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587553056 GE Annotated Anodyne CN(C)/C=C1\C[C@@H](NC(=O)OC(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587553058 GE Annotated Anodyne CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(O)nc(O)nc2n1 ZINC000587554605 GE Annotated Bother CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(O)nc(O)nc2n1 ZINC000587554609 GE Annotated Bother COc1ccc2[nH]c(C)c(Cc3cc4c(O)nc(O)nc4nc3C)c(=O)c2c1 ZINC000587555099 GE Annotated Anodyne O=C(NC[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1)OCc1ccccc1 ZINC000587555250 GE Annotated Anodyne O=C(NC[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1)OCc1ccccc1 ZINC000587555254 GE Annotated Anodyne CCOC(=O)c1c[nH]c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2c1=O ZINC000587555470 GE Annotated Anodyne O=C(O)c1cc(COc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)on1 ZINC000587556163 GE Annotated Anodyne COc1ccc2[nH]c(C)c(CCc3ccc4c(O)nc(O)nc4n3)c(=O)c2c1 ZINC000587556537 GE Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587556574 GE Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587556576 GE Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587556577 GE Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587556579 GE Annotated Anodyne O=C(OCc1ccccc1)N1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3[C@H]2C1 ZINC000587558888 GE Annotated Anodyne O=C(OCc1ccccc1)N1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3[C@@H]2C1 ZINC000587558896 GE Annotated Anodyne O=C(OCc1ccccc1)N1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3[C@@H]2C1 ZINC000587558898 GE Annotated Anodyne O=C(OCc1ccccc1)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3C[C@H]2C1 ZINC000587558901 GE Annotated Anodyne O=C(OCc1ccccc1)N1CCO[C@H](c2ccc3c(O)nc(O)nc3n2)C1 ZINC000587559291 GE Annotated Anodyne O=C(OCc1ccccc1)N1CCO[C@@H](c2ccc3c(O)nc(O)nc3n2)C1 ZINC000587559292 GE Annotated Anodyne CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CN1CCOCC1 ZINC000587559311 GE Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587562447 GE Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587563269 GE Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc(-c3ccc4c(O)nc(O)nc4n3)c2)cc1 ZINC000587563714 GE Annotated Anodyne COCC(=O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587563988 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587566250 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587566578 GE Annotated Mild CCOC(=O)CCOCCCOCCc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587567396 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587567601 GE Annotated Anodyne O=C(NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCOCC1 ZINC000587567982 GE Annotated Anodyne O=C(NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCOCC1 ZINC000587567983 GE Annotated Anodyne O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCOCC1 ZINC000587567984 GE Annotated Anodyne O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCOCC1 ZINC000587567985 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587568484 GE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568755 GE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568756 GE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568757 GE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568758 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587569916 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587569987 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587570007 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587570036 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587570288 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587570324 GE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587570766 GE Annotated Anodyne O=C(O)CNc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587574548 GE Annotated Anodyne O=C(O)CNc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587574553 GE Annotated Anodyne O=C(O)CNc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587574554 GE Annotated Anodyne O=C(O)CNc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587574555 GE Annotated Anodyne C[C@]1(Cn2cnc([N+](=O)[O-])n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577464 GE Annotated Bother C[C@@]1(Cn2cnc([N+](=O)[O-])n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577476 GE Annotated Bother C[C@@]1(Cn2cnc([N+](=O)[O-])n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577477 GE Annotated Bother C[C@]1(Cn2cnc([N+](=O)[O-])n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577479 GE Annotated Bother Cc1nn(C)c(C)c1[C@@]1(C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579226 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579234 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579236 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579238 GE Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587581194 GE Annotated Anodyne COC(=O)Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587581195 GE Annotated Anodyne COC(=O)Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587581196 GE Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587581197 GE Annotated Anodyne CN(C)C(=O)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581953 GE Annotated Anodyne CN(C)C(=O)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581955 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582194 GE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582201 GE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582203 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582204 GE Annotated Anodyne COC(=O)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583620 GE Annotated Anodyne COC(=O)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583621 GE Annotated Anodyne CC1=C[C@]2(CC(=O)N1CC(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583856 GE Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CC(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583862 GE Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CC(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583863 GE Annotated Anodyne CC1=C[C@]2(CC(=O)N1CC(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583864 GE Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587908 GE Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587912 GE Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587587914 GE Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587587917 GE Annotated Anodyne CC(=O)OCC1(COC(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591231 GE Annotated Anodyne CC(=O)OCC1(COC(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591236 GE Annotated Anodyne COC(=O)CC[C@]1(C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593209 GE Annotated Anodyne COC(=O)CC[C@@]1(C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593210 GE Annotated Anodyne COC(=O)CC[C@@]1(C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593211 GE Annotated Anodyne COC(=O)CC[C@]1(C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593212 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587593997 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594000 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594001 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594002 GE Annotated Anodyne COC(=O)CC1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596158 GE Annotated Anodyne COC(=O)CC1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596159 GE Annotated Anodyne C[C@]1(CC(=O)N2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596680 GE Annotated Anodyne C[C@@]1(CC(=O)N2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596681 GE Annotated Anodyne C[C@@]1(CC(=O)N2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596683 GE Annotated Anodyne C[C@]1(CC(=O)N2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596684 GE Annotated Anodyne O=C1NC(=O)C2(CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)N1 ZINC000587597198 GE Annotated Anodyne O=C1NC(=O)C2(CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)N1 ZINC000587597201 GE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1CN[C@@H](C(=O)O)[C@@H]1C2 ZINC000587597512 GE Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2C[C@]3(C[C@H]21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587597540 GE Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2C[C@]3(C[C@@H]21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587597543 GE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1[C@H](CN[C@H]1C(=O)O)C2 ZINC000587597549 GE Annotated Anodyne CCOC(=O)C1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597820 GE Annotated Anodyne CCOC(=O)C1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597822 GE Annotated Anodyne COC(=O)C[C@]1(C(OC)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598537 GE Annotated Anodyne COC(=O)C[C@@]1(C(OC)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598542 GE Annotated Anodyne COC(=O)C[C@@]1(C(OC)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598547 GE Annotated Anodyne COC(=O)C[C@]1(C(OC)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598552 GE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]1[C@H]2CN[C@H]1C(=O)O ZINC000587598964 GE Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598966 GE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1[C@H]2CN[C@H]1C(=O)O ZINC000587598969 GE Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598971 GE Annotated Anodyne C[C@H](/C=C/C(=O)O)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601686 GE Annotated Anodyne C[C@H](/C=C/C(=O)O)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601687 GE Annotated Anodyne C[C@H](/C=C/C(=O)O)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601688 GE Annotated Anodyne C[C@H](/C=C/C(=O)O)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601689 GE Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604907 GE Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604908 GE Annotated Anodyne CS(=O)(=O)NCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606527 GE Annotated Anodyne CS(=O)(=O)NCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606529 GE Annotated Anodyne CS(=O)(=O)NCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606530 GE Annotated Anodyne CS(=O)(=O)NCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606532 GE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H](C(=O)O)[C@H](C(=O)O)C2 ZINC000587612792 GE Annotated Anodyne O=C(O)[C@@H]1CC2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612793 GE Annotated Anodyne O=C(O)[C@H]1C[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612794 GE Annotated Anodyne O=C(O)[C@H]1C[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612795 GE Annotated Anodyne Nc1nc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587613794 GE Annotated Anodyne Nc1nc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587613795 GE Annotated Anodyne Nc1nc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587613796 GE Annotated Anodyne Nc1nc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587613797 GE Annotated Anodyne NS(=O)(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621667 GE Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)ON1C(=O)CCC1=O ZINC000587623175 GE Annotated Mild COC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CNC(=O)OC(C)(C)C ZINC000587649788 GE Annotated Anodyne CC(C)(C)OC(=O)c1c(C[C@H](O)CC#N)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650324 GE Annotated Mild Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@](O)(c1nccn1C)C(F)(F)F ZINC000587650325 GE Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@](O)(c1nccn1C)C(F)(F)F ZINC000587650326 GE Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1CN1CCOCC1 ZINC000587650374 GE Annotated Anodyne Cc1nn(C)c(C)c1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1N1CCOCC1 ZINC000587650618 GE Annotated Anodyne CC(C)(C)OC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@H](O)CC#N ZINC000587650725 GE Annotated Mild O=C(c1[nH]nc([N+](=O)[O-])c1Br)n1ncc2ccc(Cl)cc2c1=O ZINC000587650777 GE Annotated Bother COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651019 GE Annotated Anodyne Cn1nc(Br)c2c(-n3ncc4ccc(Cl)cc4c3=O)ncnc21 ZINC000587651381 GE Annotated Anodyne O=C(c1ccn(Cn2cc(Cl)cn2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651454 GE Annotated Anodyne NNc1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(Cl)c(N)c1Cl ZINC000587651807 GE Annotated Anodyne O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652753 GE Annotated Bother Cc1cc(C)n(Cn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)n1 ZINC000587652791 GE Annotated Anodyne O=C(c1csc(N2CCOCC2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653149 GE Annotated Anodyne COc1nn([C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587653228 GE Annotated Bother COc1nn([C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587653229 GE Annotated Bother Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653245 GE Annotated Bother Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653246 GE Annotated Bother O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000587653443 GE Annotated Anodyne Cc1nc(N2CCOCC2)sc1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654166 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)nc1 ZINC000587654525 GE Annotated Anodyne O=C(Cc1csc(N2CCOCC2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654564 GE Annotated Anodyne CC(C)NS(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)nc1 ZINC000587654650 GE Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000587654670 GE Annotated Anodyne O=C(CCn1c(O)nc2ccccc2c1=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654911 GE Annotated Anodyne CCn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2ccccc2c1=O ZINC000587655025 GE Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ncccc1S(=O)(=O)N1CCCC1 ZINC000587655223 GE Annotated Anodyne Cn1ncc(N)c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655944 GE Annotated Anodyne CN1CCN(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 ZINC000587656263 GE Annotated Anodyne O=C(CN1CCOCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656306 GE Annotated Anodyne CN1C[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1=O ZINC000587657268 GE Annotated Anodyne CN1C[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1=O ZINC000587657269 GE Annotated Anodyne Nc1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ncc1[N+](=O)[O-] ZINC000587657277 GE Annotated Bother NNC(=O)c1ccnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587657410 GE Annotated Reactive NC(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1 ZINC000587657433 GE Annotated Anodyne NNC(=O)c1cccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587657521 GE Annotated Reactive NNC(=O)CCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658658 GE Annotated Reactive CS(=O)(=O)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659176 GE Annotated Anodyne CN1CCN(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 ZINC000587660032 GE Annotated Anodyne NNC(=O)c1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587660057 GE Annotated Reactive Cn1cc(C(=O)O)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587660266 GE Annotated Anodyne O=C(Cc1cc(O)nc(O)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660700 GE Annotated Anodyne O=C([C@@H]1CCS(=O)(=O)C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660914 GE Annotated Anodyne O=C([C@H]1CCS(=O)(=O)C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660915 GE Annotated Anodyne NNC(=O)c1ccnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587661105 GE Annotated Reactive Nc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ncc1[N+](=O)[O-] ZINC000587661587 GE Annotated Bother O=C(Cn1cnc([N+](=O)[O-])n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662078 GE Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CC(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587666514 GE Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)OC)c(=O)c3ccccc23)c(O)c1 ZINC000587667588 GE Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CC(N)=O)c(=O)c3ccccc23)cc1OCC ZINC000587668631 GE Annotated Anodyne CCOc1ccc(-c2nn(-c3nncn3N)c(=O)c3ccccc23)cc1OCC ZINC000587669735 GE Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NN)c(=O)c3ccccc23)cc1OCC ZINC000587669799 GE Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587671430 GE Annotated Anodyne C=C(NNC(=O)CC#N)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749352 GE Annotated Reactive C=C(NNC(=O)CC#N)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749355 GE Annotated Reactive C=C(NNC(=O)CC#N)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749356 GE Annotated Reactive C=C(NNC(=O)CC#N)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749357 GE Annotated Reactive C=C(NNC(=O)CC#N)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750055 GE Annotated Reactive C=C(NNC(=O)CC#N)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750056 GE Annotated Reactive C=C(NNC(=O)CC#N)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750058 GE Annotated Reactive C=C(NNC(=O)CC#N)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750062 GE Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NCC(=O)O)nc2)N1 ZINC000587752578 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NCC(=O)O)nc2)N1 ZINC000587752580 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NCC(=O)O)nc2)N1 ZINC000587752582 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NCC(=O)O)nc2)N1 ZINC000587752586 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(N)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754124 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(N)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754127 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(N)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754128 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(N)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754129 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(N)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754476 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(N)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754478 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(N)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754480 GE Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(N)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754482 GE Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587755885 GE Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587755886 GE Annotated Anodyne COC(=O)Cn1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587755887 GE Annotated Anodyne COC(=O)Cn1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587755888 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NCC(=O)O)nc2)N1 ZINC000587757479 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NCC(=O)O)nc2)N1 ZINC000587757480 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NCC(=O)O)nc2)N1 ZINC000587757481 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NCC(=O)O)nc2)N1 ZINC000587757482 GE Annotated Anodyne COC(=O)Cn1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587761475 GE Annotated Anodyne COC(=O)Cn1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587761476 GE Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587761477 GE Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587761478 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3C(=CC2=O)N(C)C[C@@H]3O)N1 ZINC000587761896 GE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3C(=CC2=O)N(C)C[C@H]3O)N1 ZINC000587761899 GE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3C(=CC2=O)N(C)C[C@H]3O)N1 ZINC000587761901 GE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3C(=CC2=O)N(C)C[C@@H]3O)N1 ZINC000587761902 GE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3C(=CC2=O)[C@H](O)CN3C)N1 ZINC000587761922 GE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3C(=CC2=O)[C@@H](O)CN3C)N1 ZINC000587761923 GE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C(=CC2=O)[C@H](O)CN3C)N1 ZINC000587761924 GE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C(=CC2=O)[C@@H](O)CN3C)N1 ZINC000587761925 GE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3C(=CC2=O)N(C)C[C@H]3O)N1 ZINC000587762545 GE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3C(=CC2=O)N(C)C[C@@H]3O)N1 ZINC000587762547 GE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C(=CC2=O)N(C)C[C@H]3O)N1 ZINC000587762549 GE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C(=CC2=O)N(C)C[C@@H]3O)N1 ZINC000587762551 GE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3C(=CC2=O)[C@@H](O)CN3C)N1 ZINC000587762988 GE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3C(=CC2=O)[C@H](O)CN3C)N1 ZINC000587762989 GE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3C(=CC2=O)[C@H](O)CN3C)N1 ZINC000587762990 GE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3C(=CC2=O)[C@@H](O)CN3C)N1 ZINC000587762991 GE Annotated Mild COc1cc(/C=C/c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(O)c1O ZINC000587785610 GE Annotated Clean COc1cc(/C=C\c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(O)c1O ZINC000587785615 GE Annotated Clean COc1cc(/C=C\c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(O)c1O ZINC000587786406 GE Annotated Clean COc1cc(/C=C/c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(O)c1O ZINC000587786408 GE Annotated Clean COc1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(OC)c1O ZINC000587786689 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789230 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789231 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789232 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789233 GE Annotated Anodyne COC(=O)C[C@]1(C(OC)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789762 GE Annotated Anodyne COC(=O)C[C@]1(C(OC)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789776 GE Annotated Anodyne COC(=O)C[C@@]1(C(OC)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789778 GE Annotated Anodyne COC(=O)C[C@@]1(C(OC)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789781 GE Annotated Anodyne COC(=O)C[C@]1(C(OC)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789809 GE Annotated Anodyne COC(=O)C[C@]1(C(OC)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789812 GE Annotated Anodyne COC(=O)C[C@@]1(C(OC)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789814 GE Annotated Anodyne COC(=O)C[C@@]1(C(OC)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789817 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@H]3C2)N1 ZINC000587790381 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C2)N1 ZINC000587790385 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@@H]3C2)N1 ZINC000587790386 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@H]3C2)N1 ZINC000587790388 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)NC(=O)NC3=O)N1 ZINC000587790564 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)NC(=O)NC3=O)N1 ZINC000587790570 GE Annotated Anodyne CC(=O)OCC1(COC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792021 GE Annotated Anodyne CC(=O)OCC1(COC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792027 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(O)n(C)c2=O)N1 ZINC000587792229 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(O)n(C)c2=O)N1 ZINC000587792232 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(O)n(C)c2=O)N1 ZINC000587792234 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(O)n(C)c2=O)N1 ZINC000587792235 GE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792336 GE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792341 GE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792343 GE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587792346 GE Annotated Anodyne CCOC(=O)C1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793434 GE Annotated Anodyne CCOC(=O)C1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793435 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@H]3C2)N1 ZINC000587795300 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C2)N1 ZINC000587795301 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@@H]3C2)N1 ZINC000587795302 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@H]3C2)N1 ZINC000587795303 GE Annotated Anodyne CCOC(=O)C1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795350 GE Annotated Anodyne CCOC(=O)C1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795351 GE Annotated Anodyne CC(=O)OCC1(COC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797325 GE Annotated Anodyne CC(=O)OCC1(COC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797327 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587797391 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587797401 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587797403 GE Annotated Anodyne CCOC(=O)[C@@H]1CNCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587797404 GE Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)c1OC ZINC000587797772 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@@H](C(=O)O)NC[C@H]32)N1 ZINC000587798642 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@@H](C(=O)O)NC[C@@H]32)N1 ZINC000587798643 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@H]2CN[C@H]3C(=O)O)N1 ZINC000587798644 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@H](C(=O)O)NC[C@@H]32)N1 ZINC000587798645 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(O)n(C)c2=O)N1 ZINC000587799029 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(O)n(C)c2=O)N1 ZINC000587799030 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(O)n(C)c2=O)N1 ZINC000587799031 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(O)n(C)c2=O)N1 ZINC000587799032 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@H]2CN[C@H]3C(=O)O)N1 ZINC000587799484 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@H](C(=O)O)NC[C@@H]32)N1 ZINC000587799486 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@@H](C(=O)O)NC[C@H]32)N1 ZINC000587799488 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@@H](C(=O)O)NC[C@@H]32)N1 ZINC000587799490 GE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799810 GE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799811 GE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799812 GE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799813 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)NC(=O)NC3=O)N1 ZINC000587799822 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)NC(=O)NC3=O)N1 ZINC000587799823 GE Annotated Anodyne COC(=O)CC[C@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805162 GE Annotated Anodyne COC(=O)CC[C@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805163 GE Annotated Anodyne COC(=O)CC[C@@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805164 GE Annotated Anodyne COC(=O)CC[C@@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805165 GE Annotated Anodyne COC(=O)CC1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806500 GE Annotated Anodyne COC(=O)CC1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806502 GE Annotated Anodyne COC(=O)CC[C@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809342 GE Annotated Anodyne COC(=O)CC[C@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809343 GE Annotated Anodyne COC(=O)CC[C@@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809346 GE Annotated Anodyne COC(=O)CC[C@@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809348 GE Annotated Anodyne COC1=C[C@@]2(C=C(CO)C1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810481 GE Annotated Mild COC1=C[C@@]2(C=C(CO)C1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810497 GE Annotated Mild COC1=C[C@]2(C=C(CO)C1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810502 GE Annotated Mild COC1=C[C@]2(C=C(CO)C1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810508 GE Annotated Mild COC1=CC(=O)C=C(CO)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811110 GE Annotated Mild COC1=CC(=O)C=C(CO)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811112 GE Annotated Mild COC1=CC(=O)C=C(CO)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811114 GE Annotated Mild COC1=CC(=O)C=C(CO)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811116 GE Annotated Mild COC1=C[C@@]2(C=C(CO)C1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811496 GE Annotated Mild COC1=C[C@@]2(C=C(CO)C1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811498 GE Annotated Mild COC1=C[C@]2(C=C(CO)C1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811499 GE Annotated Mild COC1=C[C@]2(C=C(CO)C1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811500 GE Annotated Mild COC(=O)CC1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812438 GE Annotated Anodyne COC(=O)CC1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812439 GE Annotated Anodyne COC1=CC(=O)C=C(CO)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813340 GE Annotated Mild COC1=CC(=O)C=C(CO)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813342 GE Annotated Mild COC1=CC(=O)C=C(CO)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813344 GE Annotated Mild COC1=CC(=O)C=C(CO)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813346 GE Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C2(O)O ZINC000587820844 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C2(O)O ZINC000587820845 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C2(O)O ZINC000587820846 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C2(O)O ZINC000587820847 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C2(O)O ZINC000587823114 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C2(O)O ZINC000587823118 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C2(O)O ZINC000587823121 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C2(O)O ZINC000587823123 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=C(C(=O)O)OC(C(=O)O)=C2)N1 ZINC000587831672 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C=C(C(=O)O)OC(C(=O)O)=C2)N1 ZINC000587831765 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=C(C(=O)O)OC(C(=O)O)=C2)N1 ZINC000587832769 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C=C(C(=O)O)OC(C(=O)O)=C2)N1 ZINC000587832771 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNS(C)(=O)=O)N1 ZINC000587839830 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNS(C)(=O)=O)N1 ZINC000587839833 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNS(C)(=O)=O)N1 ZINC000587839835 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNS(C)(=O)=O)N1 ZINC000587839836 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNS(C)(=O)=O)N1 ZINC000587841124 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNS(C)(=O)=O)N1 ZINC000587841125 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNS(C)(=O)=O)N1 ZINC000587841126 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNS(C)(=O)=O)N1 ZINC000587841127 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(C)(=O)=O)CC2)N1 ZINC000587842353 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(S(C)(=O)=O)CC2)N1 ZINC000587842356 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(C)(=O)=O)CC2)N1 ZINC000587842613 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(S(C)(=O)=O)CC2)N1 ZINC000587842614 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2csc(N)n2)N1 ZINC000587852684 GE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2csc(N)n2)N1 ZINC000587852685 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2csc(N)n2)N1 ZINC000587852686 GE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2csc(N)n2)N1 ZINC000587852687 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2csc(N)n2)N1 ZINC000587853330 GE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2csc(N)n2)N1 ZINC000587853331 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2csc(N)n2)N1 ZINC000587853332 GE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2csc(N)n2)N1 ZINC000587853333 GE Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000587862903 GE Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)NS(C)(=O)=O ZINC000587863404 GE Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)NS(C)(=O)=O ZINC000587863405 GE Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCN(C)CC1 ZINC000587863471 GE Annotated Anodyne CNC(=O)c1nc[nH]c1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587863935 GE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cnc(N)n1 ZINC000587865726 GE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCC(=O)NC ZINC000587866082 GE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(=O)n(C)c(=O)n1C ZINC000587866096 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(NN)n1 ZINC000587867822 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCCC(=O)NN ZINC000587867823 GE Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000587867873 GE Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000587867893 GE Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cc(O)nc(O)n1 ZINC000587867922 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000587867930 GE Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000587868166 GE Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000587868217 GE Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnc(NN)c1 ZINC000587868253 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)cc1C(=O)O ZINC000587868497 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc([N+](=O)[O-])c(N)n1 ZINC000587868699 GE Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000587868708 GE Annotated Bother CCn1cc(N)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587868928 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(O)c2c[nH]nc2n1 ZINC000587869095 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1CCN(C)CC1 ZINC000587869267 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1CCOCC1 ZINC000587869648 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)N1CCOCC1 ZINC000587869701 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)N1CCOCC1 ZINC000587869702 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCc2nncn2C1 ZINC000587869703 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCc2nncn2C1 ZINC000587869730 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000587869787 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000587869790 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1ccccc1=O ZINC000587869802 GE Annotated Anodyne CCn1c(O)nc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1=O ZINC000587869883 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(O)c2cnn(C)c2n1 ZINC000587869969 GE Annotated Anodyne CCn1ncc(N)c1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587870038 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000587870080 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000587870082 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000587870083 GE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000587870085 GE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000587871670 GE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(O)nc1O ZINC000587871766 GE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000587871978 GE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCN1CCOCC1 ZINC000587872602 GE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000587872605 GE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000587872606 GE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCSCCC(=O)NN ZINC000587872654 GE Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000587872703 GE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000587873424 GE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000587873426 GE Annotated Anodyne O=C(CN1CCN(c2ncccn2)CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874784 GE Annotated Anodyne NS(=O)(=O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000587874786 GE Annotated Bother O=C(CS(=O)(=O)Cn1cc(Cl)cn1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876733 GE Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C/c1c[nH]c(=O)nc1O ZINC000587877201 GE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C\c1c[nH]c(=O)nc1O ZINC000587877202 GE Annotated Mild NC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587877362 GE Annotated Mild NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c1 ZINC000587878973 GE Annotated Mild COC(=O)c1ncncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880672 GE Annotated Mild COC(=O)c1cnc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881219 GE Annotated Mild COC(=O)c1nc(N)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881241 GE Annotated Mild COc1ncc(C(N)=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881379 GE Annotated Mild COc1nc(C#N)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881533 GE Annotated Mild NNc1ncc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881679 GE Annotated Mild Nc1ncc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881716 GE Annotated Mild NC(=O)[C@H](N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882594 GE Annotated Mild NC(=O)[C@@H](N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882595 GE Annotated Mild N#Cc1c(N)ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587885447 GE Annotated Mild Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587885538 GE Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587885963 GE Annotated Mild Nc1cc(C(=O)O)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887120 GE Annotated Mild O=CNc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1O ZINC000587887180 GE Annotated Mild COC(=O)c1cc(N)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887227 GE Annotated Mild COC(=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587887250 GE Annotated Mild NCCCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887575 GE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC000587887861 GE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)NC(=O)CN2 ZINC000587888153 GE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)OCC(=O)N2 ZINC000587888271 GE Annotated Mild COC(=O)c1c[nH]cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1=O ZINC000587888465 GE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)NC(=O)CO2 ZINC000587888568 GE Annotated Mild Nc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(=O)O ZINC000587889244 GE Annotated Mild N=c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]cc1[N+](=O)[O-] ZINC000587889271 GE Annotated Mild Nc1ncnc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc12 ZINC000587889285 GE Annotated Mild N=c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)[nH]cc1[N+](=O)[O-] ZINC000587889322 GE Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ncc1N ZINC000587889458 GE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(n1)NC(=O)CO2 ZINC000587889763 GE Annotated Mild CN(C)C(=O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587890026 GE Annotated Mild COC(=O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587890125 GE Annotated Mild CN(C)c1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587890135 GE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC000587890490 GE Annotated Mild CCOC(=O)c1nc(N)oc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890584 GE Annotated Mild Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1=O ZINC000587890796 GE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2cc(CO)nn2c1 ZINC000587890799 GE Annotated Mild COC(=O)c1coc(=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587891162 GE Annotated Mild COc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2cnnc12 ZINC000587891303 GE Annotated Mild NS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896501 GE Annotated Mild N=c1nc2[nH]cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc-2s1 ZINC000587898618 GE Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(Cn2ccc(C(N)=O)n2)c1C ZINC000587903227 GE Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1Br)=C(O)C(=O)N=2 ZINC000587908091 GE Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000587912544 GE Annotated Mild COC(=O)N1C(=O)C(Br)=C(C#Cc2cc(Cl)ccc2OC)C1=O ZINC000587912683 GE Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(S(N)(=O)=O)c([N+](=O)[O-])cc1F ZINC000587915450 GE Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(CNC[C@H](O)CO)sc1OC ZINC000587918944 GE Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(CNC[C@@H](O)CO)sc1OC ZINC000587918946 GE Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)N2CCNCC2)s1 ZINC000587919156 GE Annotated Mild CCN(c1ccc(-c2csc(-c3cncnc3N)n2)cc1)S(C)(=O)=O ZINC000587923596 GE Annotated Anodyne C=C1NNC(=O)C(c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)=C1C ZINC000587923613 GE Annotated Anodyne Cc1ncc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c(N)n1 ZINC000587923999 GE Annotated Anodyne C=C1NNC(=O)C(c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)=C1C ZINC000587924274 GE Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587924844 GE Annotated Bother COc1ccc(CCCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1OC ZINC000587925388 GE Annotated Anodyne COc1ccc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1OC ZINC000587927830 GE Annotated Anodyne COc1ccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1OC ZINC000587927896 GE Annotated Anodyne COc1ccc(CCCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c(OC)c1 ZINC000587928809 GE Annotated Anodyne COc1ccc(CCCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(OC)c1 ZINC000587929464 GE Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)cc([C@@H](CC(=O)O)C(=O)O)c3O)c2)=N1 ZINC000587934156 GE Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)cc([C@H](CC(=O)O)C(=O)O)c3O)c2)=N1 ZINC000587934159 GE Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(C(=O)O)c3O)cc2Br)CC1 ZINC000587935027 GE Annotated Anodyne O=C1Cc2c3c(n(-c4cccc(Br)c4[N+](=O)[O-])c2O1)OC(=O)C3 ZINC000587937335 GE Annotated Bother O=C1Cc2c3c(n(-c4cccc(-c5cccc(C(=O)O)n5)c4)c2O1)OC(=O)C3 ZINC000587937522 GE Annotated Anodyne O=C(O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587939190 GE Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(NCc2ccccc2Br)c1O ZINC000587939405 GE Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(NCc2ccccc2Br)c1O ZINC000587939409 GE Annotated Anodyne CCOc1cc(-n2c3c(c4c2OC(=O)C4)CC(=O)O3)c(Cl)cc1C(=O)O ZINC000587939468 GE Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2cc(C(=O)O)ncc2Br)c1OC ZINC000587939944 GE Annotated Anodyne O=C1Cc2c3c(n(-c4cc5cnccc5c(Br)n4)c2O1)OC(=O)C3 ZINC000587940020 GE Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1c[nH]cc(Br)c1=O ZINC000587940029 GE Annotated Mild CCOc1cc(-n2c(O)ccc2OCC[C@H](N)C(=O)O)c(Cl)cc1C(=O)O ZINC000587940479 GE Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2ccnc(Br)c2)c1OC ZINC000587940854 GE Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941162 GE Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccnc(CCl)n1 ZINC000587941185 GE Annotated Reactive COc1cc(C#N)c(OC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941884 GE Annotated Mild COC(=O)c1cc(OC)n(-c2cc(C(=O)O)ncc2Br)c1OC ZINC000587942364 GE Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1cc(F)c(Br)cc1F)C(=O)O ZINC000587943695 GE Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2nc(N3CCCCC3)ncc2F)c1OC ZINC000587945302 GE Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(C(=O)O)c1O ZINC000587945928 GE Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(S(N)(=O)=O)c4[nH]1)(C3)C2 ZINC000587949772 GE Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(N)(=O)=O)cc4[nH]1)(C3)C2 ZINC000587951648 GE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1 ZINC000587971180 GE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1 ZINC000587971181 GE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3[C@H](C(=O)O)[C@H]3C(=O)O)nc2c1 ZINC000587971182 GE Annotated Anodyne CCCCC/C=C/C1=C(COC(C)=O)[C@@H](O)[C@H]2O[C@@]2(C/C=C(\C)C(=O)O)C1=O ZINC000059046815 GE Annotated Mild C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CCC[C@H](C(=O)OC)[C@]21C ZINC000059129325 GE Annotated Anodyne CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@H]4C)C3)cc2)CC1 ZINC000059260775 GE Annotated Anodyne CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)cc2)CC1 ZINC000059260776 GE Annotated Anodyne Cn1cc(CCC(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cn1 ZINC000059311785 GE Annotated Anodyne Cn1cc(CCC(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cn1 ZINC000059311786 GE Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000059338463 GE Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000059338563 GE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4C/C(=C/CO)[C@H](C[C@H]41)[C@H]1CCC(=O)N2[C@H]13 ZINC000059587975 GE Annotated Anodyne 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@H]34 ZINC000059587986 GE Annotated Anodyne in-vitro biogenic COc1ccc([C@@H](O)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@H]2CO)cc1OC ZINC000059588938 GE Annotated Anodyne in-vitro biogenic COC(=O)O[C@H]1Oc2cc(O)ccc2-c2c1oc1cc(O)c(O)c(O)c1c2=O ZINC000059729344 GE Annotated Anodyne COC(=O)O[C@@H]1Oc2cc(O)ccc2-c2c1oc1cc(O)c(O)c(O)c1c2=O ZINC000059729345 GE Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000059818065 GE Annotated Anodyne O=C1CC[C@@H](CN(Cc2ccccn2)Cc2nc(Cc3ccccc3)no2)N1 ZINC000059939045 GE Annotated Anodyne COC(=O)C1=C(C(=O)OC)c2cc(OC)ccc2[C@H](C(=S)N(C)C)S1 ZINC000006001725 GE Annotated Anodyne O=C(O)[C@@H]1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000006005683 GE Annotated Anodyne COC(=O)[C@H]1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000006005708 GE Annotated Anodyne CCOC(=O)C1=NOC2(C=C(Br)C(=O)C(Br)=C2)C1 ZINC000006009891 GE Annotated Mild C=C[C@@H]1C[C@]2(C(=O)OC)Cc3nc4ccccc4nc3CC(C(=O)OC)=C2O1 ZINC000006010038 GE Annotated Mild COC(=O)[C@H]1[C@@H](C)OC[C@H]2[C@@H]3N(C(C)=O)c4ccccc4[C@@]34CCN(C)[C@@H]4C[C@H]21 ZINC000006031726 GE Annotated Anodyne C[n+]1c(COc2ccc(/C=N/NC(=N)N3CCCC3)cc2)cn2ccccc21 ZINC000006072353 GE Annotated Mild O=c1c2ccc(/C(O)=N/CCc3cnc[nH]3)cc2nc(S)n1C[C@@H]1CCCO1 ZINC000006079971 GE Annotated Mild O=c1c2ccc(/C(O)=N/CCc3cnc[nH]3)cc2nc(S)n1C[C@H]1CCCO1 ZINC000006079974 GE Annotated Mild O=C1C=C[C@H](O)[C@H]([C@H](O)[C@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)O1 ZINC000006095580 GE Annotated Anodyne in-vitro biogenic COc1cc2c(cc1OC)[C@@]13CCN4C=C5CCO[C@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000006145606 GE Annotated Anodyne C#C/C=C(\c1cccc(F)c1)c1ccc2nc(N)n(S(=O)(=O)N(C)C)c2c1 ZINC000006150627 GE Annotated Mild Cc1ccc(S(=O)(=O)N[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2n2ccnc2)cc1 ZINC000006244568 GE Annotated Clean CN(C)/C=N/S(=O)(=O)c1nn2c(C=O)c(-c3ccc(Cl)cc3)nc2s1 ZINC000006244596 GE Annotated Mild C/C=C1\C[C@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@@H](CC3=O)OC1=O ZINC000006361221 GE Annotated Anodyne CCN(CC)CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N ZINC000006382298 GE Annotated Anodyne CCN(C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1)C(=O)C(=O)OC ZINC000006384928 GE Annotated Anodyne CCN(C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1)C(=O)C(=O)OC ZINC000006384935 GE Annotated Anodyne CS(=O)(=O)c1ccc(CO[P@@](N)(=O)N(CCCl)CCCl)cc1 ZINC000006425067 GE Annotated Reactive COC(=O)C1=C(C(=O)OC)c2cc(OC)ccc2[C@@H](C(=S)N(C)C)S1 ZINC000006426132 GE Annotated Anodyne COC(=O)[C@@]12C(=O)C=CC(=O)[C@@H]1[C@@H]1C(=C[C@@H]2C)O[C@H]2OC3(CCCCC3)O[C@@H]21 ZINC000006480824 GE Annotated Mild CN1c2ccccc2N2C(=O)CN(CCN3CCCCC3)C(=O)[C@@H]2c2cccn21 ZINC000006481591 GE Annotated Anodyne CN1c2ccccc2N2C(=O)CN(CCN3CCCCC3)C(=O)[C@H]2c2cccn21 ZINC000006481599 GE Annotated Anodyne Cc1ccc(N2C(=O)C=C(C3=C(O)C(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1 ZINC000006487169 GE Annotated Anodyne CC(C)C(=O)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3ccco3)CC2=O)CC1 ZINC000006499035 GE Annotated Mild CC(C)c1ccc(NC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061896044 GE Annotated Anodyne CCc1nc2ccc(C(=O)N(C)CCCN(C)C)cn2c1N(CC)CCOC ZINC000061896744 GE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1cccc(F)c1 ZINC000061896771 GE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1cccc(F)c1 ZINC000061896772 GE Annotated Anodyne CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1 ZINC000061897528 GE Annotated Anodyne CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1 ZINC000061897530 GE Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2CC2)cc1 ZINC000061898500 GE Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C2CC2)cc1 ZINC000061898502 GE Annotated Anodyne CCc1nc2ccc(C(=O)N(C)CCN(C)C)cn2c1N(CC)CCOC ZINC000061898855 GE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)CC1CCCC1 ZINC000061902664 GE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)CC1CCCC1 ZINC000061902665 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)CSc2ccccc2)C1 ZINC000061903051 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)CSc2ccccc2)C1 ZINC000061903052 GE Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCCN(C)C)O3)cc1 ZINC000061903236 GE Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCCN(C)C)O3)cc1 ZINC000061903237 GE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000061903273 GE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000061903274 GE Annotated Anodyne COC(=O)c1ccc(Cn2c(C)c(C(=O)NCc3ccco3)sc2=O)o1 ZINC000061903314 GE Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)c1cccc(F)c1 ZINC000061903504 GE Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)c1cccc(F)c1 ZINC000061903505 GE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)C1CCCCC1 ZINC000061903781 GE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)C1CCCCC1 ZINC000061903782 GE Annotated Anodyne Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2cccc(F)c2)c1 ZINC000061903951 GE Annotated Anodyne Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2cccc(F)c2)c1 ZINC000061903952 GE Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 ZINC000061904256 GE Annotated Anodyne CCCNC(=O)c1cc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 ZINC000061904257 GE Annotated Anodyne OC[C@@H]1CN(Cc2ccccc2)C[C@H](n2ccc3c(N4CCCC4)ncnc32)O1 ZINC000061904794 GE Annotated Anodyne CCOc1ccc(-c2noc(-c3csc([C@@H]4C[C@H](O)[C@@H](CO)O4)n3)n2)cc1 ZINC000061905194 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cccc(C)c2C)C1 ZINC000061905422 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(C)c2C)C1 ZINC000061905423 GE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000061905611 GE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000061905612 GE Annotated Anodyne CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(CC)CCOC ZINC000061905735 GE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1ccco1 ZINC000061906003 GE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1ccco1 ZINC000061906004 GE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1ccccc1 ZINC000061906095 GE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1ccccc1 ZINC000061906096 GE Annotated Anodyne O=C(NCc1cccs1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061906257 GE Annotated Anodyne C[C@]1(C(=O)NCc2ccco2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061906713 GE Annotated Anodyne C[C@@]1(C(=O)NCc2ccco2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061906714 GE Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(Cc2noc(-c3ccccc3OC)n2)C1 ZINC000061906835 GE Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(Cc2noc(-c3ccccc3OC)n2)C1 ZINC000061906836 GE Annotated Anodyne COCCNC(=O)[C@@]1(C)CCN(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000061907314 GE Annotated Anodyne COCCNC(=O)[C@]1(C)CCN(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000061907315 GE Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1cccc2c1CCCC2 ZINC000061908143 GE Annotated Anodyne CCCCS(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061908355 GE Annotated Anodyne CCCCS(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061908356 GE Annotated Anodyne CCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CC)C(C)=O ZINC000061908387 GE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1ccccc1 ZINC000061908540 GE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1ccccc1 ZINC000061908541 GE Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C2CCCCC2)cc1 ZINC000061908835 GE Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2CCCCC2)cc1 ZINC000061908836 GE Annotated Anodyne NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCCC(F)(F)F)O3)c1 ZINC000061908923 GE Annotated Anodyne NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCCC(F)(F)F)O3)c1 ZINC000061908924 GE Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C(=O)N(C)C)=C1C ZINC000061920987 GE Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N(C)C)=C1C ZINC000061920988 GE Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061921003 GE Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061921004 GE Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)C(=O)OC(C)(C)C ZINC000061922189 GE Annotated Anodyne Nc1ccn(CCCN2CCN(Cc3cccc4ccccc34)CC2)c(=O)n1 ZINC000061922389 GE Annotated Anodyne COc1ncnc2c1ncn2CCCN1CCN(Cc2ccc(C)cc2)CC1 ZINC000061922644 GE Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2ccco2)CC(C(=O)N(C)C)=C1C ZINC000061923410 GE Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N(C)C)=C1C ZINC000061923411 GE Annotated Anodyne COc1cc(C(=O)N2Cc3ccccc3-n3nncc3C2)cc(OC)c1OC ZINC000061924171 GE Annotated Anodyne C#CCN([C@@H](C)C(=O)OCC)S(=O)(=O)c1ccc(Br)cc1F ZINC000061924255 GE Annotated Mild Cc1c(C(=O)N2CC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)oc2ccccc12 ZINC000061925599 GE Annotated Anodyne Cc1c(C(=O)N2CC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)oc2ccccc12 ZINC000061925600 GE Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CC2CCCC2)cc1 ZINC000061925640 GE Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CC2CCCC2)cc1 ZINC000061925641 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000061925663 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000061925664 GE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)CSc2ccccc2)C1 ZINC000061925740 GE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)CSc2ccccc2)C1 ZINC000061925741 GE Annotated Anodyne O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1cccc2c1CCCC2 ZINC000061926176 GE Annotated Anodyne Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1 ZINC000061926305 GE Annotated Anodyne Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1 ZINC000061926306 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)CCc2cccs2)C1 ZINC000061926321 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)CCc2cccs2)C1 ZINC000061926322 GE Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000061926393 GE Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000061926394 GE Annotated Anodyne C[C@]1(C(=O)NCC2CCOCC2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061926607 GE Annotated Anodyne C[C@@]1(C(=O)NCC2CCOCC2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061926608 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061926877 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061926878 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000061927056 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000061927057 GE Annotated Anodyne CC(C)c1ccc(NC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061927133 GE Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NCCN(C)C)O3)c1 ZINC000061927343 GE Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NCCN(C)C)O3)c1 ZINC000061927344 GE Annotated Anodyne CN(Cc1ccccc1)C(=O)c1ccc2[nH]c([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061927707 GE Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2C(=O)OCCF)on1 ZINC000061928209 GE Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@H]2COCCN2C(=O)OCCF)on1 ZINC000061928212 GE Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)on1 ZINC000061928487 GE Annotated Anodyne CCCNC(=O)c1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)on1 ZINC000061928490 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000061928546 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000061928548 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(F)ccc2C)C1 ZINC000061928579 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(F)ccc2C)C1 ZINC000061928581 GE Annotated Anodyne CCc1nc2ccc(C(=O)NCCCN(C)C)cn2c1N(CC)CCOC ZINC000061929194 GE Annotated Anodyne Cc1ccccc1-c1cc2nc(NCCN3CCNC3=O)n(C)c(=O)c2s1 ZINC000061929579 GE Annotated Anodyne CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn12 ZINC000061929731 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000061929982 GE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000061929983 GE Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)[C@]2(C)CCN2C(=O)c2cccc(F)c2)nc1 ZINC000061930754 GE Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)[C@@]2(C)CCN2C(=O)c2cccc(F)c2)nc1 ZINC000061930756 GE Annotated Mild C[C@]1(C(=O)NCc2ccco2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061930873 GE Annotated Anodyne C[C@@]1(C(=O)NCc2ccco2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061930875 GE Annotated Anodyne Cc1ccc(NC(=O)c2ncn(CCCNCCCN3CCCC3=O)n2)cc1C ZINC000061936042 GE Annotated Anodyne CC(C)CNS(=O)(=O)c1ccc(Br)cc1N1CCC[C@@H]1CO ZINC000061944678 GE Annotated Anodyne CCCCNS(=O)(=O)c1ccc(Br)cc1N1CCC[C@H]1CO ZINC000061944687 GE Annotated Anodyne COC(=O)[C@H](C)N1C/C=C\COc2c(Cl)cc(Cl)cc2S1(=O)=O ZINC000061944777 GE Annotated Anodyne CON(C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000061948198 GE Annotated Anodyne CON(C)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000061948200 GE Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CNC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000061948823 GE Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1c1ccccc1 ZINC000061958799 GE Annotated Anodyne CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958837 GE Annotated Anodyne CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958839 GE Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@@H]1c1cccc(OC)c1 ZINC000061958868 GE Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@H]1c1cccc(OC)c1 ZINC000061958870 GE Annotated Anodyne CCCSc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000061959549 GE Annotated Anodyne CC[C@@H](C)Sc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061959630 GE Annotated Anodyne CC[C@H](C)Sc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061959631 GE Annotated Anodyne CC(C)C[C@@H](CN1C(=O)C(=O)NC[C@@H]1CC(C)C)NC(=O)Cc1ccccc1 ZINC000061959671 GE Annotated Anodyne CC[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(OC)cc2)C1=O ZINC000061959731 GE Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(OC)cc2)C1=O ZINC000061959732 GE Annotated Anodyne Cn1c(N=Nc2c(O)[nH]c3ccc(Br)cc23)cc(=O)n(C)c1=O ZINC000617960112 GE Annotated Clean C/C=C1/CN2CC[C@@]34C(=Nc5ccc(OC)cc53)[C@H]2C[C@@H]1[C@]4(CO)C(=O)OC ZINC000618006181 GE Annotated Anodyne CN(C)CCSSCCC(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000618007580 GE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1c(N)cccc1Cl ZINC000618007648 GE Annotated Reactive NCCSSCCCC(=O)n1c(=O)n(C2CCNCC2)c2ccccc21 ZINC000618007666 GE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1cc(F)cc(F)c1 ZINC000618007757 GE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(F)ccc1OC ZINC000618007774 GE Annotated Reactive CN(C)CCSSCCNC(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000618007787 GE Annotated Reactive CN(C)CCSSCCNC(=O)Nc1cccc2c(O)nnc(O)c12 ZINC000618007791 GE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(C(C)=O)s1 ZINC000618007990 GE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)C1(c2ccccc2)CC1 ZINC000618008095 GE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cccc(F)c1F ZINC000618008265 GE Annotated Reactive CN(C)CCSSCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000618008306 GE Annotated Reactive CC1=NN(c2ccc(C(=O)NCCSSCCN(C)C)cc2)C(=O)C1 ZINC000618008407 GE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000618008596 GE Annotated Reactive CN(C)CCSSCCNC(=O)CN(C)C(=O)OCc1ccccc1 ZINC000618008722 GE Annotated Reactive C[C@H](C(=O)NCCCSSCCN(C)C)N1C(=O)c2ccccc2C1=O ZINC000618009022 GE Annotated Reactive C[C@@H](C(=O)NCCCSSCCN(C)C)N1C(=O)c2ccccc2C1=O ZINC000618009023 GE Annotated Reactive COc1cc(CC(=O)NCCSSCCN(C)C)cc(OC)c1OC ZINC000618009044 GE Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000618009218 GE Annotated Reactive CN(C)CCSSCCCn1cc(CSc2nnc(N)s2)nn1 ZINC000618009890 GE Annotated Reactive CN(C)CCSSCCn1cc(COc2ccc(C(=O)O)cc2)nn1 ZINC000618010011 GE Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000618010039 GE Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000618010176 GE Annotated Bother CN(C)CCSSCCn1cc(CNC(=O)c2cc(C3CC3)on2)nn1 ZINC000618010371 GE Annotated Reactive Cc1ccc(S(=O)(=O)c2cn(CCSSCCN(C)C)nn2)cc1 ZINC000618010461 GE Annotated Reactive CN(C)CCSSCCNC(=O)c1cnc(O)c(Br)c1 ZINC000618011765 GE Annotated Reactive N#C/C(=C(\O)Cn1nc(C(=O)O)c2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000618012303 GE Annotated Reactive C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1ccc(F)cc1F ZINC000618012322 GE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1ccc(F)cc1F ZINC000618012325 GE Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000618014019 GE Annotated Reactive Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000618014021 GE Annotated Reactive Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000618014022 GE Annotated Reactive Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000618014023 GE Annotated Reactive O=C(N[C@@H]1C[C@@H](C(F)(F)F)CNC1=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000618014028 GE Annotated Anodyne O=C(N[C@H]1C[C@H](C(F)(F)F)CNC1=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000618014029 GE Annotated Anodyne O=C(N[C@H]1C[C@@H](C(F)(F)F)CNC1=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000618014030 GE Annotated Anodyne O=C(N[C@@H]1C[C@H](C(F)(F)F)CNC1=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000618014031 GE Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000618014046 GE Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000618014047 GE Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000618014048 GE Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000618014049 GE Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@H](C)CCc1ccccc1 ZINC000618014168 GE Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@H](C)CCc1ccccc1 ZINC000618014175 GE Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618014177 GE Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618014178 GE Annotated Anodyne Cc1ccc(CN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)C2CC2)o1 ZINC000618014315 GE Annotated Anodyne Cc1ccc(CN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)C2CC2)o1 ZINC000618014316 GE Annotated Anodyne CC(C)C1=C(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)CCCO1 ZINC000618014341 GE Annotated Anodyne CC(C)C1=C(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)CCCO1 ZINC000618014342 GE Annotated Anodyne CC(C)C1=C(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)CCCO1 ZINC000618014343 GE Annotated Anodyne CC(C)C1=C(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)CCCO1 ZINC000618014344 GE Annotated Anodyne N#C/C(=C(/O)CN1C(=O)c2ccccc2S1(=O)=O)c1nc2ccccc2[nH]1 ZINC000618014694 GE Annotated Reactive Cc1ccc(C[C@H](NC(=O)[C@@H]2NC(=O)[C@@H]3CCCC[C@H]3N2)c2ccccn2)cc1 ZINC000618014914 GE Annotated Anodyne Cc1ccc(C[C@H](NC(=O)[C@@H]2NC(=O)[C@H]3CCCC[C@@H]3N2)c2ccccn2)cc1 ZINC000618014915 GE Annotated Anodyne Cc1ccc(C[C@H](NC(=O)[C@@H]2NC(=O)[C@H]3CCCC[C@H]3N2)c2ccccn2)cc1 ZINC000618014916 GE Annotated Anodyne Cc1ccc(C[C@H](NC(=O)[C@@H]2NC(=O)[C@@H]3CCCC[C@@H]3N2)c2ccccn2)cc1 ZINC000618014919 GE Annotated Anodyne C=CCN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618015068 GE Annotated Mild C=CCN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618015086 GE Annotated Mild C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC1(c2ccccc2)CC1 ZINC000618015143 GE Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC1(c2ccccc2)CC1 ZINC000618015154 GE Annotated Anodyne CCN1C(=O)N[C@@H]2C[C@H](C(=O)N[C@H](c3nc(C)cs3)C3CC3)CC[C@@H]2C1=O ZINC000618015465 GE Annotated Anodyne CCN1C(=O)N[C@@H]2C[C@H](C(=O)N[C@@H](c3nc(C)cs3)C3CC3)CC[C@H]2C1=O ZINC000618015466 GE Annotated Anodyne CCN1C(=O)N[C@@H]2C[C@H](C(=O)N[C@@H](c3nc(C)cs3)C3CC3)CC[C@@H]2C1=O ZINC000618015467 GE Annotated Anodyne CCN1C(=O)N[C@@H]2C[C@H](C(=O)N[C@H](c3nc(C)cs3)C3CC3)CC[C@H]2C1=O ZINC000618015468 GE Annotated Anodyne O=C1N[C@H](CN(Cc2ccccc2)C(=O)/C=C/c2ccco2)N[C@H]2CCS[C@H]12 ZINC000618015482 GE Annotated Anodyne O=C1N[C@H](CN(Cc2ccccc2)C(=O)/C=C/c2ccco2)N[C@@H]2CCS[C@@H]12 ZINC000618015483 GE Annotated Anodyne O=C1N[C@H](CN(Cc2ccccc2)C(=O)/C=C/c2ccco2)N[C@@H]2CCS[C@H]12 ZINC000618015484 GE Annotated Anodyne O=C1N[C@H](CN(Cc2ccccc2)C(=O)/C=C/c2ccco2)N[C@H]2CCS[C@@H]12 ZINC000618015485 GE Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cccc([C@@H]2CCC(=O)NN2)c1 ZINC000618015638 GE Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cccc([C@H]2CCC(=O)NN2)c1 ZINC000618015639 GE Annotated Anodyne Cc1nonc1CC(=O)N1CCC[C@@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 ZINC000618016863 GE Annotated Anodyne Cc1nonc1CC(=O)N1CCC[C@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 ZINC000618016864 GE Annotated Anodyne CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)Nc3cn(C)nc3C)CC[C@H]21 ZINC000618016924 GE Annotated Anodyne CCOC(=O)N1CCC2(CC1)C[C@@H](NC(=O)CCOC)[C@@H]1CCCC[C@H]1O2 ZINC000618016963 GE Annotated Anodyne C[C@]1(O)C[C@@H](c2ccccc2)C[C@H](O)CCC[C@@H]1CNC(=O)CCC(=O)O ZINC000618017031 GE Annotated Anodyne C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2F)C1 ZINC000618017435 GE Annotated Anodyne C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CC(F)(F)C1 ZINC000618017787 GE Annotated Reactive C=CS(=O)(=O)N1CCN(Cc2cc(F)c(Br)c(F)c2)CC1 ZINC000618020183 GE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)c(OC)c2)CC1 ZINC000618020191 GE Annotated Anodyne C=CS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000618020204 GE Annotated Anodyne C=CS(=O)(=O)N1C[C@H]2CN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000618020205 GE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)[C@@H](C#N)C1 ZINC000618020227 GE Annotated Mild C=CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C2CCCCC2)no1 ZINC000618020231 GE Annotated Anodyne C[C@H]1CN(S(=O)(=O)CC#N)CCN1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC000618020234 GE Annotated Mild C=CS(=O)(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(C2CCCCC2)no1 ZINC000618020235 GE Annotated Anodyne C=CS(=O)(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(C3CCCCC3)no1)C2 ZINC000618020277 GE Annotated Anodyne C=CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3cc(C4CCCCC4)no3)C[C@@H]2C1 ZINC000618020278 GE Annotated Anodyne C#CCN1CCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1 ZINC000062225006 GE Annotated Mild Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCn3cnnc3C2)cc1 ZINC000062225019 GE Annotated Anodyne O=c1[nH]nc(Sc2ccc([N+](=O)[O-])s2)n1-c1ccc2c(c1)OCCO2 ZINC000062232966 GE Annotated Bother C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000062235494 GE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000062235496 GE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000062235498 GE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000062235500 GE Annotated Mild in-man COc1ccc(-c2cc(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)O)co2)cc1OC ZINC000621431138 GE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)COC)c(=O)n(C)c3nc12 ZINC000621431575 GE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)COC)c(=O)n(C)c3nc12 ZINC000621431576 GE Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1Cl ZINC000621471735 GE Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1Cl ZINC000621471736 GE Annotated Anodyne OC[C@@H](O)c1cccc(-n2ncc3c(OCCc4ccccc4)ncnc32)c1 ZINC000621477333 GE Annotated Anodyne C=CS(=O)(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c3cccc(Cl)c23)C1 ZINC000621478512 GE Annotated Anodyne C=CS(=O)(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c3cccc(Cl)c23)C1 ZINC000621478513 GE Annotated Anodyne C=CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccnc(Cl)n3)o2)C1 ZINC000621485619 GE Annotated Anodyne C#CCOc1ccc(Cl)cc1C(=O)N1CCC[C@H](CNS(=O)(=O)C=C)C1 ZINC000621485670 GE Annotated Mild C=CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccc(O)cc3)o2)C1 ZINC000621485830 GE Annotated Anodyne C=CS(=O)(=O)N(C)CCN(C)C(=O)c1ccc(-c2ccc(OC)cc2)o1 ZINC000621485951 GE Annotated Anodyne C[C@@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@@H](N)C4)c(F)c3n21 ZINC000063539364 GE Annotated Anodyne C[C@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@@H](N)C4)c(F)c3n21 ZINC000063539366 GE Annotated Anodyne C[C@@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)c(F)c3n21 ZINC000063539371 GE Annotated Anodyne C[C@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)c(F)c3n21 ZINC000063539373 GE Annotated Anodyne Nc1ccc(S(=O)(=O)NCc2cn(Cc3ccccc3Cl)nn2)cc1 ZINC000064428930 GE Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(C(F)(F)F)ccc21 ZINC000064436277 GE Annotated Anodyne Cc1c(N2C(=O)C(Cl)=C(c3ccc[nH]3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000064437164 GE Annotated Anodyne NCCCNCCCCNCCCNC1=Nc2ccc([N+](=O)[O-])cc2CCC1 ZINC000064447789 GE Annotated Bother O=C1c2cc3nnn(CCc4cccc(F)c4)c(=O)c3cc2OCN1C1CC1 ZINC000064447868 GE Annotated Anodyne COC(=O)CCCNC[C@H]1CCN(C(=O)Nc2ccc(COC(C)=O)cc2)C1 ZINC000064448272 GE Annotated Anodyne COC(=O)CCCNC[C@@H]1CCN(C(=O)Nc2ccc(COC(C)=O)cc2)C1 ZINC000064448274 GE Annotated Anodyne Cn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCCCC3)cnc21 ZINC000064513322 GE Annotated Mild COc1ccc(/C=N\Nc2nnc(-c3ncc([N+](=O)[O-])n3C)s2)cc1O ZINC000064528144 GE Annotated Mild Nn1c(S)nnc1-c1ccccc1Nc1ccc(-c2n[nH]c(=S)n2N)cc1 ZINC000064532274 GE Annotated Anodyne FC(F)(F)c1n[nH]cc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1 ZINC000064539084 GE Annotated Anodyne O=C(CCl)Oc1ccc2c(c1)[n+]([O-])c1cc(Br)ccc1[n+]2[O-] ZINC000064549070 GE Annotated Reactive Cn1c(C[S@@](=O)c2ccccc2)nc2c(CN3CCOCC3)c(O)ccc21 ZINC000064549445 GE Annotated Clean Cn1c(C[S@](=O)c2ccccc2)nc2c(CN3CCOCC3)c(O)ccc21 ZINC000064549446 GE Annotated Clean C[C@@H]1O[C@@H](Oc2cc3c4c(c2O)C(C)(C)CC[C@@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064549577 GE Annotated Anodyne C[C@@H]1O[C@@H](Oc2cc3c4c(c2O)C(C)(C)CC[C@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064549578 GE Annotated Anodyne O=C(/C=C/c1ccc2c(c1)OCO2)c1c(O)cc(O)cc1OCCO[N+](=O)[O-] ZINC000064553568 GE Annotated Mild CCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064559521 GE Annotated Anodyne CCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064559522 GE Annotated Anodyne COc1ccc(S(=O)(=O)n2cc(/C(C)=N/NC(=N)N)c3ccc(C)cc32)cc1 ZINC000064559668 GE Annotated Mild Oc1ccc([C@H]2C/C(=N\NC(=S)N3CCNCC3)c3ccc(O)cc3O2)cc1 ZINC000064633907 GE Annotated Mild N#CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 ZINC000006507314 GE Annotated Reactive Cc1c(N2CC[C@H](NCCF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520877 GE Annotated Anodyne Cc1c(N2CC[C@H](n3ccnn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520883 GE Annotated Anodyne Cc1c(N2CC[C@](N)(CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520892 GE Annotated Anodyne Cc1c(N2CC[C@@](CN)(CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520893 GE Annotated Anodyne Cc1c(N2CC[C@](F)(CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520895 GE Annotated Anodyne Cc1c(N2CC[C@@H](NCCF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520928 GE Annotated Anodyne Cc1c(N2CC[C@@H](n3ccnn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520930 GE Annotated Anodyne Cc1c(N2CC[C@@](N)(CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520939 GE Annotated Anodyne Cc1c(N2CC[C@](CN)(CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520940 GE Annotated Anodyne Cc1c(N2CC[C@@](F)(CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520941 GE Annotated Anodyne Cc1c(N2C[C@@H](N)[C@@H](C3CC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520954 GE Annotated Anodyne Cc1c(N2C[C@@H](N)[C@@H](CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520955 GE Annotated Anodyne Cc1c(N2C[C@H](CF)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520962 GE Annotated Anodyne Cc1c(N2C[C@H](C3CC3)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520964 GE Annotated Anodyne Cc1c(N2C[C@@H](N)[C@H](C3CC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520991 GE Annotated Anodyne Cc1c(N2C[C@@H](N)[C@H](CF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520992 GE Annotated Anodyne Cc1c(N2C[C@H](N)[C@H](C3CC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006521003 GE Annotated Anodyne Cc1c(N2C[C@H]3CCNC[C@@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006521014 GE Annotated Anodyne Cc1ccccc1O[C@H](C)C(=O)NN1C(=O)CC(=O)N(c2ccccc2)C1=S ZINC000006523276 GE Annotated Anodyne O=C(CSCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1 ZINC000006535179 GE Annotated Reactive N=C(NCCO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/CCO)cc3)o2)cc1 ZINC000006536362 GE Annotated Mild COc1ccc([C@H](CNc2nnc(C)c(=O)n2N)c2c[nH]c3ccccc23)cc1 ZINC000006603008 GE Annotated Anodyne COc1ccc([C@@H](CNc2nnc(C)c(=O)n2N)c2c[nH]c3ccccc23)cc1 ZINC000006603009 GE Annotated Anodyne COc1cc2c(=O)n(CCN)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000006718459 GE Annotated Bother COC(=O)[C@@H](C)NC(=O)c1cn(-c2ccccc2OC)c(=O)c2ccccc12 ZINC000006720663 GE Annotated Anodyne Cc1ccc(CN2CCN(CC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 ZINC000006728627 GE Annotated Anodyne Cc1ccc(CN2CCN(CC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 ZINC000006728630 GE Annotated Anodyne O=C(NCc1ccc(F)cc1)c1nc(O)c2nnn(Cc3cccs3)c2n1 ZINC000006732704 GE Annotated Anodyne CC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)N2CC(=O)NC1CCCCC1 ZINC000006750538 GE Annotated Anodyne CS(=O)(=O)CC[C@@H](C(=O)NC1CCCCCC1)N1Cc2ccccc2C1=O ZINC000006780034 GE Annotated Anodyne CCc1ccc(NS(=O)(=O)c2c(C)nc3sc(CC)nn3c2=O)cc1 ZINC000006784625 GE Annotated Anodyne CCc1cccc(NS(=O)(=O)c2c(C)nc3sc(CC)nn3c2=O)c1 ZINC000006784628 GE Annotated Anodyne Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)n1 ZINC000006793574 GE Annotated Anodyne CCN(CC)CCCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 ZINC000006796036 GE Annotated Anodyne CCN(CC)CCCNC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 ZINC000006796044 GE Annotated Anodyne CC(C)OCCCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 ZINC000006796301 GE Annotated Anodyne CC(C)OCCCNC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 ZINC000006796304 GE Annotated Anodyne Cc1ccc2c(c1)N(C(=O)CCC(=O)N1CCC3(CC1)OCCO3)C[C@H](C)O2 ZINC000006797872 GE Annotated Anodyne Cc1ccc2c(c1)N(C(=O)CCC(=O)N1CCC3(CC1)OCCO3)C[C@@H](C)O2 ZINC000006797873 GE Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)C1 ZINC000006798696 GE Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)C1 ZINC000006798698 GE Annotated Anodyne C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1 ZINC000006808311 GE Annotated Anodyne C[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1 ZINC000006808312 GE Annotated Anodyne CCc1nn2c(=O)c(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)nc2s1 ZINC000006823063 GE Annotated Anodyne COc1ccc(CNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)cc1 ZINC000006839711 GE Annotated Anodyne CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c2ccccc2O1 ZINC000006846175 GE Annotated Anodyne CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c2ccccc2O1 ZINC000006846184 GE Annotated Anodyne NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000006859495 GE Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CCS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000006893214 GE Annotated Anodyne CC[C@H]1CCCCN1C(=O)CCS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000006893215 GE Annotated Anodyne O=C1CSc2ccc(S(=O)(=O)CCC(=O)NC3CCCCC3)cc2N1 ZINC000006893420 GE Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)C1 ZINC000006893444 GE Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)C1 ZINC000006893445 GE Annotated Anodyne CCCn1c2ccccc2c2cnn(CC(=O)NCCN(CC)CC)c(=O)c21 ZINC000006899975 GE Annotated Anodyne Cc1cc(=O)n(CC(=O)NCc2ccc(OC(C)C)cc2)c2c1c(C)nn2C ZINC000006916225 GE Annotated Anodyne CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2Cl)c(=O)n3C)C1 ZINC000006918930 GE Annotated Anodyne CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)O)cn2C ZINC000006919133 GE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC(C)C)c(=O)c2c1 ZINC000006920274 GE Annotated Anodyne C[C@@H](CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000006930543 GE Annotated Anodyne C[C@H](CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000006930553 GE Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N(C)Cc3ccco3)ccc21 ZINC000006935443 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000006936558 GE Annotated Anodyne O=C(NC[C@H]1CCCO1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000006936562 GE Annotated Anodyne C[C@@H]1CCCN(CCCNC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)C1 ZINC000006937445 GE Annotated Anodyne C[C@H]1CCCN(CCCNC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)C1 ZINC000006937448 GE Annotated Anodyne COCCN(Cc1ccco1)C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O ZINC000006937845 GE Annotated Anodyne Nc1c(-c2nc(-c3ccccc3)no2)nnn1CC(=O)Nc1cccc(F)c1 ZINC000006939145 GE Annotated Anodyne O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)NC2CCCC2)s1 ZINC000006942117 GE Annotated Anodyne CCC(=O)N1[C@H](C(=O)NCc2ccc(OC)cc2)CSC12CCN(C)CC2 ZINC000006943482 GE Annotated Anodyne CCC(=O)N1[C@@H](C(=O)NCc2ccc(OC)cc2)CSC12CCN(C)CC2 ZINC000006943483 GE Annotated Anodyne CCC(=O)N1[C@H](C(=O)NCc2ccc(F)cc2)CSC12CCN(C)CC2 ZINC000006943548 GE Annotated Anodyne CCC(=O)N1[C@@H](C(=O)NCc2ccc(F)cc2)CSC12CCN(C)CC2 ZINC000006943555 GE Annotated Anodyne CN(CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)C1CCCCC1 ZINC000006974124 GE Annotated Anodyne CCc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1 ZINC000006999154 GE Annotated Anodyne aggregator Cc1sc2c(=N[C@@H]3CCNC3)nc(-c3ccncc3)[nH]c2c1C#CC(C)(C)O ZINC000653665766 GE Annotated Mild Nc1ncc(-c2cc(N3CCC3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F ZINC000653666594 GE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H](F)[C@H](F)C3)nc(N3CCC3)n2)cc1OC(F)F ZINC000653667557 GE Annotated Anodyne Nc1ncc(-c2cc(N3CC[C@@H](F)C3)nc(N3CCC3)n2)cc1OC(F)F ZINC000653667725 GE Annotated Anodyne Nc1ncc(-c2cc(N3CC[C@H](F)C3)nc(N3CCC3)n2)cc1OC(F)F ZINC000653667726 GE Annotated Anodyne CO[C@@H]1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)C1 ZINC000653670143 GE Annotated Anodyne CO[C@H]1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)C1 ZINC000653670144 GE Annotated Anodyne COc1c(-c2cc(=O)n3nc(N)c(-c4ccccn4)c3[nH]2)ccc2c1OCO2 ZINC000653670653 GE Annotated Anodyne Nc1ncc(-c2cc(C3CN(C4COC4)C3)nc(C3CC3)n2)cc1OC(F)F ZINC000653676811 GE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC3)n2)cc1C(F)(F)F ZINC000653680454 GE Annotated Anodyne C[C@@H]1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)CCO1 ZINC000653684773 GE Annotated Anodyne C[C@H]1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)CCO1 ZINC000653684774 GE Annotated Anodyne CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653684781 GE Annotated Anodyne CC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(N3CCC(O)CC3)cc2n1O ZINC000653688014 GE Annotated Anodyne COC1=CC[C@@H]2C[C@H]3O[C@H](O)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000653691280 GE Annotated Mild CN(C)CCCn1c(N)c(-c2nc3ccccc3n2C)c2nc(C#N)c(C#N)nc21 ZINC000653695807 GE Annotated Mild c1ccc2c(c1)nnn2Cn1c[n+](Cn2nnc3ccccc32)c2ccccc21 ZINC000653696875 GE Annotated Anodyne Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccccc1B(O)O ZINC000653697074 GE Annotated Reactive Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1CCc1ccc(B(O)O)cc1 ZINC000653697111 GE Annotated Reactive Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1cccc(B(O)O)c1 ZINC000653697115 GE Annotated Reactive CCCCCc1ccc(C#Cc2cn(CCC(CO)CO)c(=O)nc2O)cc1 ZINC000653697813 GE Annotated Mild Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(B(O)O)cc1 ZINC000653700464 GE Annotated Reactive CNCC(=O)OCc1ccc([C@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1 ZINC000653708456 GE Annotated Anodyne CNCC(=O)OCc1ccc([C@@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1 ZINC000653708457 GE Annotated Anodyne COc1ccc(-n2cc(Cn3cc(/C=N/O)c4cccnc43)nn2)cc1OC ZINC000653709183 GE Annotated Mild O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2cccn2)n1 ZINC000653709683 GE Annotated Anodyne O=C(O)CCNc1nc(N2CCC(c3ccccc3)CC2)cc(-n2ccnn2)n1 ZINC000653709739 GE Annotated Anodyne O=C(OCCN[C@@]12O[C@H]3[C@@H]4[C@H]5C[C@@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42)c1cccc(/C=C/[N+](=O)[O-])c1 ZINC000653710231 GE Annotated Bother O=C(OCCN[C@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@H]1[C@H]2[C@H]3[C@H]51)c1cccc(/C=C/[N+](=O)[O-])c1 ZINC000653710232 GE Annotated Bother O=C(OCCN[C@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12)c1cccc(/C=C/[N+](=O)[O-])c1 ZINC000653710233 GE Annotated Bother O=C(OCCN[C@@]12O[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@@H]5C[C@H]([C@@H]3[C@@H]52)[C@@H]41)c1cccc(/C=C/[N+](=O)[O-])c1 ZINC000653710234 GE Annotated Bother N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCN3CCCC3)c2nc1C#N ZINC000653713004 GE Annotated Mild Cc1cccc2cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c3nnnn3c12 ZINC000653718382 GE Annotated Clean Cc1ncc(Cn2cc(CSc3nnc(-c4ccccc4)o3)nn2)c(N)n1 ZINC000653720493 GE Annotated Anodyne CN(CCc1cnn(-c2nccc3c(O)ncnc23)c1)Cc1ccc(C#N)cc1 ZINC000653720561 GE Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12[C@H](CCC(C)(C)[C@H]1[C@H](O)O[C@@H]2OC)OC3=O ZINC000653721441 GE Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12[C@H](CCC(C)(C)[C@H]1[C@H](O)O[C@@H]2OC)OC3=O ZINC000653721442 GE Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12[C@H](CCC(C)(C)[C@H]1[C@H](O)O[C@H]2OC)OC3=O ZINC000653721443 GE Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12[C@H](CCC(C)(C)[C@H]1[C@H](O)O[C@H]2OC)OC3=O ZINC000653721444 GE Annotated Mild CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)CNc2ccccc21 ZINC000653721459 GE Annotated Anodyne C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12[C@@H](O)O[C@@H](OC)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000653722029 GE Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12[C@@H](O)O[C@@H](OC)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000653722030 GE Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12[C@H](CCC(C)(C)[C@H]1[C@H](OC)O[C@H]2O)OC3=O ZINC000653722031 GE Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12[C@H](CCC(C)(C)[C@H]1[C@H](OC)O[C@H]2O)OC3=O ZINC000653722032 GE Annotated Mild CO[C@@H]1O[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3OC(=O)[C@@]45C[C@H](CC[C@H]4[C@]312)[C@@H](C)C5=O ZINC000653722048 GE Annotated Anodyne CO[C@H]1O[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3OC(=O)[C@@]45C[C@H](CC[C@H]4[C@@]312)[C@@H](C)C5=O ZINC000653722049 GE Annotated Anodyne CO[C@@H]1O[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3OC(=O)[C@@]45C[C@H](CC[C@H]4[C@@]312)[C@@H](C)C5=O ZINC000653722050 GE Annotated Anodyne CO[C@H]1O[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3OC(=O)[C@@]45C[C@H](CC[C@H]4[C@]312)[C@@H](C)C5=O ZINC000653722051 GE Annotated Anodyne CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(Br)ccc21 ZINC000653722874 GE Annotated Mild O=C(O)Cc1cccn(Cc2ccccc2S(=O)(=O)c2ccccc2)c1=O ZINC000653725024 GE Annotated Anodyne C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(S(C)(=O)=O)nc2O1 ZINC000653725575 GE Annotated Anodyne C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(S(C)(=O)=O)nc2O1 ZINC000653725576 GE Annotated Anodyne N=C(N/N=C(\CO)c1ccc(Cl)cc1)N/N=C(\CO)c1ccc(Cl)cc1 ZINC000653727943 GE Annotated Mild COc1cc2c(c(O)c1OC)OC[C@@H](c1cc(O)c(OC)c(OC)c1O)[C@H]2O ZINC000653729203 GE Annotated Anodyne COC(=O)[C@H]1CCc2nc(-c3c(N[C@@H]4CC[C@H](N)CC4)ccnc3O)[nH]c2C1 ZINC000653729606 GE Annotated Anodyne COC(=O)[C@@H]1CCc2nc(-c3c(N[C@@H]4CC[C@H](N)CC4)ccnc3O)[nH]c2C1 ZINC000653729607 GE Annotated Anodyne Cc1oc(=O)c2c(c1C)O[C@]1(C)[C@H](O)C[C@@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2 ZINC000653732481 GE Annotated Anodyne CO[C@@H]1O[C@@H](O)[C@]23[C@H](CCC(C)(C)[C@@H]12)OC(=O)[C@@]12C[C@H](CC[C@H]13)[C@@H](C)C2=O ZINC000653737398 GE Annotated Anodyne CO[C@@H]1O[C@H](O)[C@@]23[C@H](CCC(C)(C)[C@@H]12)OC(=O)[C@@]12C[C@H](CC[C@H]13)[C@@H](C)C2=O ZINC000653737399 GE Annotated Anodyne CO[C@@H]1O[C@@H](O)[C@@]23[C@H](CCC(C)(C)[C@@H]12)OC(=O)[C@@]12C[C@H](CC[C@H]13)[C@@H](C)C2=O ZINC000653737400 GE Annotated Anodyne CO[C@@H]1O[C@H](O)[C@]23[C@H](CCC(C)(C)[C@@H]12)OC(=O)[C@@]12C[C@H](CC[C@H]13)[C@@H](C)C2=O ZINC000653737401 GE Annotated Anodyne CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)[nH]n2)COc2ccccc21 ZINC000653739167 GE Annotated Anodyne Cc1ncc(Cn2cc(CSc3nnc(-c4ccccc4F)o3)nn2)c(N)n1 ZINC000653742682 GE Annotated Anodyne C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2c(S(C)(=O)=O)cnc2O1 ZINC000653743782 GE Annotated Anodyne C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2c(S(C)(=O)=O)cnc2O1 ZINC000653743783 GE Annotated Anodyne O=c1c2cccnc2ncn1Cc1nc(C[C@H](O)c2ccc(Cl)cc2)no1 ZINC000653745142 GE Annotated Anodyne O=c1c2cccnc2ncn1Cc1nc(C[C@@H](O)c2ccc(Cl)cc2)no1 ZINC000653745143 GE Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)CCNC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000653746629 GE Annotated Mild COc1ccccc1CN1C(=O)c2c(C)nc(-c3nc(C)no3)c(N)c2C1=O ZINC000653749385 GE Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(N(C)C)cc2)C3=O)n1 ZINC000653749393 GE Annotated Clean COc1cccc(CN2C(=O)c3c(C)nc(-c4nc(C)no4)c(N)c3C2=O)c1 ZINC000653754034 GE Annotated Anodyne CC(=O)c1coc(CNC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCC(C)C)C32CC2)n1 ZINC000653756207 GE Annotated Anodyne CCC(=O)Nc1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000653757126 GE Annotated Anodyne Nc1ncc(-c2cc(N3CCC3)nc(N3C[C@H](F)[C@H](F)C3)n2)cc1OC(F)F ZINC000653760501 GE Annotated Anodyne CCNC(=O)Nc1cn(-c2ncccn2)c2cc(-c3ccn(C)c(=O)c3)cnc12 ZINC000653762974 GE Annotated Clean Cc1[nH]nc(O)c1[C@@H](c1cccc(Br)c1)c1c(O)nc(O)nc1O ZINC000653762981 GE Annotated Anodyne Cc1[nH]nc(O)c1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)nc(S)nc1O ZINC000653764448 GE Annotated Bother C[C@]1(F)CCN(c2nc(-c3cnc(N)c(F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653765545 GE Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653765546 GE Annotated Anodyne COC1(C)CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC3)n2)C1 ZINC000653769228 GE Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(Cl)cn2)C3=O)n1 ZINC000653775416 GE Annotated Anodyne C[C@@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1=O ZINC000653780449 GE Annotated Anodyne C[C@@H](C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1)N1C(=O)C[C@@H](C)C1=O ZINC000653780450 GE Annotated Anodyne C[C@H]1CC(=O)N([C@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1=O ZINC000653780451 GE Annotated Anodyne C[C@H]1CC(=O)N([C@@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1=O ZINC000653780452 GE Annotated Anodyne COc1cc2nc(Cl)nc(-n3[nH]c(-c4ccccn4)nc3=N)c2cc1OC ZINC000653780497 GE Annotated Anodyne C/C(=N\N=C1/SCC(=O)N1CN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC000653782489 GE Annotated Mild O=C(c1nc2cc(C(F)(F)F)cc(-[n+]3cc(=O)o[nH]3)c2s1)N1CCCCC1 ZINC000653784995 GE Annotated Anodyne CONC(=O)[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653790162 GE Annotated Anodyne CNC(=O)[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653790193 GE Annotated Anodyne O=C1CCCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1F ZINC000653793681 GE Annotated Bother COC(=O)[C@@H]1C[C@@]23C(=O)[C@@H]4[C@H](C)CN5C[C@@H](CCC6=C2[C@@H]1CC6)[C@]3(C)[C@H]5[C@H]4O ZINC000653794089 GE Annotated Anodyne COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H]2ON=C(c3ccc(Br)cc3)[C@@H]12 ZINC000653794095 GE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCSCC3)cc1)C2 ZINC000653794475 GE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCSCC3)c(F)c1)C2 ZINC000653794485 GE Annotated Bother COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4C[C@H]5N(C[C@H]4C)C[C@@H](C[C@@H](O)C4=C2[C@@H]1CC4)[C@]53C ZINC000653795335 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4C[C@H]5N(C[C@H]4C)C[C@@H]([C@H](O)CC4=C2[C@@H]1CC4)[C@]53C ZINC000653795336 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4C[C@H]5N(C[C@H]4C)C[C@@H]([C@@H](O)CC4=C2[C@@H]1CC4)[C@]53C ZINC000653795337 GE Annotated Anodyne COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4CC[C@H](OC)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C ZINC000653797908 GE Annotated Mild CC(C)C[C@H](N)C(=O)NCCCS(=O)(=O)Oc1ccc(C(F)(F)F)cc1 ZINC000653799586 GE Annotated Anodyne COCCCN1CCC(O)(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1 ZINC000653803553 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4C[C@H]5N(C[C@H]4C)C[C@@H](C[C@H](O)C4=C2[C@@H]1CC4)[C@]53C ZINC000653803602 GE Annotated Anodyne COC(=O)C1=C2C[C@H](O)C3=C2[C@@]2(C1)C(=O)[C@H]1C[C@H]4N(C[C@H]1C)C[C@@H](CC3)[C@]42C ZINC000653803626 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4C[C@H]5N(C[C@H]4C)C[C@@H](CCC4=C2[C@@H]1C[C@H]4O)[C@]53C ZINC000653803795 GE Annotated Anodyne O=CNC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653804999 GE Annotated Anodyne CC(C)[C@@H](C)n1cc(-c2ccc(N3CCOCC3)cn2)c2[nH]nc(N)c2c1=O ZINC000653806066 GE Annotated Anodyne CC(C)[C@H](C)n1cc(-c2ccc(N3CCOCC3)cn2)c2[nH]nc(N)c2c1=O ZINC000653806067 GE Annotated Anodyne CNCCNc1c2c(c(NCCNC)c3occc13)C(=O)c1ccccc1C2=O ZINC000653806369 GE Annotated Clean Nc1nc(O)c2[nH]cc(C(=O)c3ccc(I)cc3)c2n1 ZINC000653808721 GE Annotated Anodyne CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(CC(C)(C)CO)C[C@H]23)c2ccccn12 ZINC000653810883 GE Annotated Anodyne NC(=O)Cn1nc(-c2ccc(-c3ccc(Br)cc3)s2)oc1=O ZINC000653822662 GE Annotated Anodyne Cc1c(C(=O)CSCCNC(=O)c2ccccc2)[n+](=O)c2ccccc2n1O ZINC000653822700 GE Annotated Anodyne COc1ccc(C(=O)CCC(=O)NNC(=O)Cn2c(C)nc3ccccc32)cc1 ZINC000653830215 GE Annotated Reactive Cn1cnc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)n1 ZINC000653831327 GE Annotated Anodyne Cn1cc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)C(c3ccccc3)=N2)nn1 ZINC000653837936 GE Annotated Anodyne Cn1cc(S(=O)(=O)N2C[C@H](c3ccc(F)cc3)C(c3ccccc3)=N2)nn1 ZINC000653837937 GE Annotated Anodyne CCn1c(=O)c(C(=O)NC)cc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21 ZINC000653840654 GE Annotated Clean COc1ccc(F)c(CN2CN(CC(=O)O)c3ccc(C)cc3S2(=O)=O)c1 ZINC000653841631 GE Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)O)c1=O ZINC000653843520 GE Annotated Anodyne Cc1ccc2cccc(OS(=O)(=O)CCCNC(=O)[C@@H](N)CC(C)C)c2n1 ZINC000653845350 GE Annotated Anodyne CCNC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12 ZINC000653850679 GE Annotated Anodyne CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12 ZINC000653850700 GE Annotated Anodyne COc1ccc(CN2CN(CC(=O)O)c3ccc(C)cc3S2(=O)=O)cc1 ZINC000653851026 GE Annotated Anodyne COc1ccc(-c2nnc3c(NCCN4CCOCC4)cccn23)cc1OC ZINC000653852948 GE Annotated Anodyne CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cn3)cc(=O)n12 ZINC000653854043 GE Annotated Anodyne O=C(O)/C=C/c1ccc2c(c1)CC(=O)N2Cc1ccc2c(c1C(=O)O)OCO2 ZINC000653854448 GE Annotated Anodyne COc1c(O)c2c3c(c1O)C(=O)[C@@]1(O)C(=C3C(C)=C(O)C2=O)O[C@@H](C)C1(C)C ZINC000653856191 GE Annotated Mild O[C@]1(C(F)(F)F)CS/C(=N\c2ccccc2)N1CCN1CCOCC1 ZINC000653866620 GE Annotated Mild O[C@@]1(C(F)(F)F)CS/C(=N\c2ccccc2)N1CCN1CCOCC1 ZINC000653866621 GE Annotated Mild CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1c1nnc2ccccn12 ZINC000653869223 GE Annotated Anodyne CC1(C)O[C@H]2O[C@@H]3COB(c4cccc(/C=N/c5ccccc5)c4)O[C@@H]3[C@H]2O1 ZINC000653870714 GE Annotated Mild C[C@H]1C=C[C@H]2CN(NC(=O)OCc3ccccc3)C(=O)[C@@H]2[C@@H]1C(=O)N1CCCC1 ZINC000653873804 GE Annotated Anodyne O=C(NN1C[C@@H]2C=CC[C@@H](C(=O)N3CCCC3)[C@H]2C1=O)OCc1ccccc1 ZINC000653873842 GE Annotated Anodyne C=C[C@]1(C)C[C@H](OC(=O)C(=C)COC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O ZINC000653882863 GE Annotated Reactive Cc1ccnc2c3c(nn12)CN([C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3 ZINC000653883167 GE Annotated Anodyne N=C(N)NCCCC[C@H]1NCCc2c1n(O)c1cc(Br)ccc21 ZINC000653887640 GE Annotated Anodyne N=C(N)NCCCC[C@@H]1NCCc2c1n(O)c1cc(Br)ccc21 ZINC000653887644 GE Annotated Anodyne CC1(C)O[C@H]2O[C@@H]3COB(c4cccc(/N=C/c5ccccc5O)c4)O[C@@H]3[C@H]2O1 ZINC000653888077 GE Annotated Mild CC1(C)O[C@H]2O[C@@H]3COB(c4ccc(/C=N/c5ccccc5)cc4)O[C@@H]3[C@H]2O1 ZINC000653895733 GE Annotated Mild Cc1cc2ncc3c(n2n1)CN([C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3 ZINC000653916415 GE Annotated Anodyne Cc1ccc2c(c1)cc(/C=C1\SC(=S)N(CCC(=O)O)C1=O)c1nnnn12 ZINC000653918441 GE Annotated Clean Cc1ccc2cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c3nnnn3c2c1 ZINC000653918446 GE Annotated Clean COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nc2)cn1 ZINC000066058838 GE Annotated Bother CCON/C(=N\C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066065872 GE Annotated Mild Cc1cc2c(NCCN)c3c(c(NCCN)c2o1)C(=O)c1ccccc1C3=O ZINC000066066003 GE Annotated Clean NC(=O)Nc1sc2c(c1C(N)=O)CCc1c-2cnn1Cc1ccc(F)cc1 ZINC000066066147 GE Annotated Anodyne COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(C(=O)O)c(=O)n2ccccc12 ZINC000066066460 GE Annotated Anodyne COC(=O)[C@H]1c2ccccc2CCN1Cc1cc(C(=O)O)c(=O)n2ccccc12 ZINC000066066461 GE Annotated Anodyne NOC(=O)c1cncc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)c1 ZINC000066074498 GE Annotated Mild NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn(Cc3ccc(F)cc3)cc1-2 ZINC000066074581 GE Annotated Anodyne N[C@H]1CN(c2cc(-c3cc(F)c(F)cc3F)ncn2)C[C@@H]1N1CCCCC1=O ZINC000066097284 GE Annotated Anodyne O=C(c1ccco1)[C@@H]1[C@@H](c2cccc(O)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000066098381 GE Annotated Anodyne Oc1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1 ZINC000066099750 GE Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(NN)nc(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000066100234 GE Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(NN)nc(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000066100236 GE Annotated Mild COP(=O)(C/C=C/Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O)OC ZINC000066102815 GE Annotated Anodyne CC1=CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1C(=O)C(CO)=C[C@H]2O ZINC000066103158 GE Annotated Mild COP(=O)(C/C=C\Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O)OC ZINC000066103319 GE Annotated Anodyne Nc1nc(-c2ccc(P(=O)(O)O)o2)c(C(=O)OCc2ccccc2)s1 ZINC000066111526 GE Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c(CC4CCNCC4)nc23)cn1 ZINC000066111828 GE Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c(C[C@@H]4CCCNC4)nc23)cn1 ZINC000066111831 GE Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c(C[C@H]4CCCNC4)nc23)cn1 ZINC000066111832 GE Annotated Anodyne COC(=O)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 ZINC000066112055 GE Annotated Anodyne CCOC(=O)Cn1c(=O)c(N/N=C/c2ccccc2OC)nc2ccccc21 ZINC000066112079 GE Annotated Mild CON1CCN/C1=N\c1ccc(Nc2ccc(/N=C3\NCCN3OC)cc2)cc1 ZINC000066112694 GE Annotated Mild CCN1C(NCCCCO)=N[C@@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000066139070 GE Annotated Anodyne CCN1C(NCCCCO)=N[C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000066139073 GE Annotated Anodyne C=C(COC)C1=CCC(C(=O)OC)(C(=O)OC)[C@H](C[N+](=O)[O-])c2ccccc21 ZINC000066157617 GE Annotated Mild COc1cccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)c1O ZINC000066166542 GE Annotated Anodyne CCCNC(=O)c1nnc2c(-c3cncc(C(=O)N4CCC4)c3)cccc2c1N ZINC000066251271 GE Annotated Anodyne N#Cc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nn2)cc1 ZINC000066251921 GE Annotated Mild COc1ccc(-c2cncc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)cn1 ZINC000066251967 GE Annotated Bother COc1cc2c(=O)n(CCCO)c3c4ccccc4[nH]c(=O)c3c2cc1OC ZINC000066252076 GE Annotated Bother C=CCNC(=S)N/N=C\c1ccccc1OCc1ccc2no[n+]([O-])c2c1 ZINC000066252286 GE Annotated Mild CN1C(=O)[C@]2(SC[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)c2ccccc21 ZINC000066252506 GE Annotated Anodyne COc1ccc(-c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)n2)cn1 ZINC000066259056 GE Annotated Bother C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@H]1[C@@]2(C)[C@@H](O)CC[C@@]1(C)COC(C)=O ZINC000066259167 GE Annotated Reactive COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cn2)cn1 ZINC000066259374 GE Annotated Bother O=C(O)CN1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc21 ZINC000066259633 GE Annotated Anodyne O=C(O)CN1CN(Cc2cc(F)c(F)cc2F)c2ccccc2S1(=O)=O ZINC000066259878 GE Annotated Anodyne COc1ccc(-c2ccnc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)cn1 ZINC000066262712 GE Annotated Bother COc1ccc(-c2cc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)ccn2)cn1 ZINC000066263131 GE Annotated Bother CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 ZINC000068246985 GE Annotated Anodyne CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 ZINC000068246986 GE Annotated Anodyne Cc1cc(=O)oc2c(C)c3occ(/C=C4/C(=O)NC(=O)N=C4O)c(=O)c3cc12 ZINC000069062007 GE Annotated Clean CCOC(=O)N1CCN(C2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)CC1 ZINC000007004933 GE Annotated Anodyne COc1ccc(OC)c([C@@H]2CCN(S(=O)(=O)c3csc(C(N)=O)c3)C2)c1 ZINC000007006240 GE Annotated Anodyne COc1ccc(OC)c([C@H]2CCN(S(=O)(=O)c3csc(C(N)=O)c3)C2)c1 ZINC000007006242 GE Annotated Anodyne CCOC(=O)CSC1=N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N1C ZINC000007043192 GE Annotated Anodyne COC(=O)C1=NN[C@@]2(c3ccc(C)cc3)C(=O)N(c3cccc(C)c3C)C(=O)[C@H]12 ZINC000007044086 GE Annotated Anodyne COC(=O)C1=NN[C@]2(c3ccc(C)cc3)C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]12 ZINC000007044093 GE Annotated Anodyne COc1ccc(NN/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000007079395 GE Annotated Clean COc1ccc(C(=O)N/N=C2\CCS(=O)(=O)c3ccc(F)cc32)cc1OC ZINC000007160119 GE Annotated Reactive CCOC(=O)C1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000007342749 GE Annotated Anodyne CCOC(=O)C1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000007342750 GE Annotated Anodyne Cn1c(=O)c2c(SCc3ccccn3)nc(CC(C)(C)C)nc2n(C)c1=O ZINC000007347156 GE Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C=C4[C@@H](C)[C@@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000070454198 GE Annotated Mild in-vitro biogenic CC[C@H]1[C@H]2OC(=O)[C@@](C)(O)[C@H]2[C@]23CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@H]13 ZINC000070454817 GE Annotated Anodyne in-vitro biogenic CC[C@H]1[C@@H]2OC(=O)[C@@](C)(O)[C@@H]2[C@@]23CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@H]13 ZINC000070454818 GE Annotated Anodyne in-vitro biogenic CC[C@@H]1[C@H]2OC(=O)[C@@](C)(O)[C@H]2[C@]23CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@H]13 ZINC000070454820 GE Annotated Anodyne in-vitro biogenic Cc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(-n3cncn3)cc2)no1 ZINC000070725326 GE Annotated Anodyne Cc1cc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(-n3cncn3)cc2)no1 ZINC000070725328 GE Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(-c3ccncc3)ccc21 ZINC000071282444 GE Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(-c3ccco3)ccc21 ZINC000071294694 GE Annotated Anodyne COc1cc(Br)cc([C@H]2C3=C(COC3=O)Nc3[nH]ncc32)c1O ZINC000071295244 GE Annotated Anodyne COc1cc(Br)cc([C@@H]2C3=C(COC3=O)Nc3[nH]ncc32)c1O ZINC000071295245 GE Annotated Anodyne CCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000071295451 GE Annotated Reactive N=C(N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071295490 GE Annotated Bother COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O ZINC000071296043 GE Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(-c3ccc[nH]3)ccc21 ZINC000071296119 GE Annotated Anodyne CCOC(=O)c1oc2ccc(OC(C)=O)c(CNC(C)=O)c2c1NC(C)=O ZINC000071296339 GE Annotated Anodyne O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1c1ccc2c(c1)OCO2 ZINC000071315888 GE Annotated Mild CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)on1 ZINC000071316320 GE Annotated Anodyne Cc1cc(NCCN(C)C)nc2sc(C(=O)N/N=C/c3cccn3C)c(N)c12 ZINC000071316854 GE Annotated Reactive CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4[C@H]4O[C@@H]2N([C@@H]13)[C@@H]4O ZINC000071316979 GE Annotated Anodyne CC1=C2OCCCCN3C(=O)[C@@](O)(c4cc([N+](=O)[O-])ccc43)[C@@]2(C)SC1=O ZINC000071317078 GE Annotated Mild CC1=C2OCCCCN3C(=O)[C@@](O)(c4cc([N+](=O)[O-])ccc43)[C@]2(C)SC1=O ZINC000071317079 GE Annotated Mild CC1=C2OCCCCN3C(=O)[C@](O)(c4cc([N+](=O)[O-])ccc43)[C@@]2(C)SC1=O ZINC000071317080 GE Annotated Mild CC1=C2OCCCCN3C(=O)[C@](O)(c4cc([N+](=O)[O-])ccc43)[C@]2(C)SC1=O ZINC000071317081 GE Annotated Mild CCc1c(C(=O)c2ccccc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O ZINC000071317101 GE Annotated Anodyne OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(C4CCCCC4)cc3)cn21 ZINC000071317692 GE Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4n[nH]nc4c32)cc(OC)c1OC ZINC000071318028 GE Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4n[nH]nc4c32)cc(OC)c1OC ZINC000071318029 GE Annotated Anodyne COc1ccc([C@@H]2ON(C)[C@H](P(=O)(O)O)[C@H]2C(=O)c2ccccc2O)cc1 ZINC000071318209 GE Annotated Anodyne COC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1 ZINC000071318600 GE Annotated Anodyne CN1O[C@@H](c2ccccc2)[C@H](C(=O)c2cc(O)ccc2O)[C@H]1P(=O)(O)O ZINC000071329585 GE Annotated Anodyne COc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)ON(C)[C@@H]2P(=O)(O)O)c(O)c1 ZINC000071329943 GE Annotated Anodyne CCc1c(C(=O)c2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O ZINC000071329957 GE Annotated Anodyne CCCC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071332996 GE Annotated Anodyne CC(C)CC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071334563 GE Annotated Anodyne Cc1c(/C=N/NC(=O)c2ccncc2)[n+](=O)c2cc(C(F)(F)F)ccc2n1O ZINC000071334807 GE Annotated Anodyne O=S1(=O)CC[C@@H](Nc2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)C1 ZINC000071334972 GE Annotated Anodyne O=S1(=O)CC[C@H](Nc2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)C1 ZINC000071334974 GE Annotated Anodyne O=S1(=O)CCC(Nc2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)CC1 ZINC000071340250 GE Annotated Anodyne CCCCC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071341718 GE Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1)C1CCC1 ZINC000071410481 GE Annotated Anodyne CCC(=S)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071416581 GE Annotated Anodyne Cc1noc2ncn(CC(=O)Nc3ccc(CN4CCCCC4)cc3)c(=O)c12 ZINC000071928012 GE Annotated Anodyne CCS(=O)(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072101644 GE Annotated Anodyne CCS(=O)(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072101645 GE Annotated Anodyne CCS(=O)(=O)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101849 GE Annotated Anodyne CCS(=O)(=O)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101850 GE Annotated Anodyne CCS(=O)(=O)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101978 GE Annotated Anodyne CCS(=O)(=O)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072101979 GE Annotated Anodyne CS(=O)(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103316 GE Annotated Anodyne CS(=O)(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103317 GE Annotated Anodyne CCOc1ccc(Oc2cc(/C(=N/O)NCCN3CCOCC3)ccn2)cc1 ZINC000072103444 GE Annotated Mild O=C(O)CN1Cc2ccc(NC(=O)c3ccc(C4CCNCC4)cc3)cc2C1=O ZINC000072104791 GE Annotated Anodyne CCCCCC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072105315 GE Annotated Anodyne COc1cc(S(=O)(=O)N2CCCCC2)cc(C(=O)NCc2ccco2)c1O ZINC000072106382 GE Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(-c3ccc(F)cc3)c(=O)n12 ZINC000072107081 GE Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(-c3ccc(F)cc3)c(=O)n12 ZINC000072107082 GE Annotated Anodyne CC(C)CCC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072107253 GE Annotated Anodyne CCNC(=O)NCc1ccc2c(c1)[nH]c(=O)n2-c1cc(Cl)c(O)cc1O ZINC000072107362 GE Annotated Anodyne Cc1cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)ccc1[N+](=O)[O-] ZINC000072107582 GE Annotated Bother CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(Cc3ccccc3)c(=O)n12 ZINC000072107610 GE Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(Cc3ccccc3)c(=O)n12 ZINC000072107611 GE Annotated Anodyne N#CC1(c2ccncc2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 ZINC000072107944 GE Annotated Mild Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)C[S@@](=O)c1ccccc1)CC2 ZINC000072108047 GE Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)C[S@@](=O)c1ccccc1)CC2 ZINC000072108048 GE Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)C[S@](=O)c1ccccc1)CC2 ZINC000072108049 GE Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)C[S@](=O)c1ccccc1)CC2 ZINC000072108050 GE Annotated Anodyne COC(=O)N1c2ccccc2[C@]23CCN4C(=O)C=C[C@]45CC[C@]12[C@@H](C5)C(=O)O3 ZINC000072108451 GE Annotated Anodyne COc1cc(-c2nc3c([nH]2)C2=N[C@@H](C)CN2C(=O)N3Cc2ccccc2)n(C)n1 ZINC000072109196 GE Annotated Anodyne COc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1OC ZINC000072110012 GE Annotated Anodyne COc1cc(OC)cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 ZINC000072110013 GE Annotated Anodyne COc1cc(-c2nc3c([nH]2)C2=N[C@H](C)CN2C(=O)N3Cc2ccccc2)n(C)n1 ZINC000072110110 GE Annotated Anodyne O=C(N/N=C/c1ccc2c(c1)no[n+]2[O-])c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000072113028 GE Annotated Reactive O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1F ZINC000072116474 GE Annotated Anodyne N/C(=N/O)c1c(-c2ccccc2)nc(Nc2ccc3oc(=O)ccc3c2)[nH]c1=O ZINC000072118504 GE Annotated Mild COc1ccc2nc(C)cc(NC(=O)CN3C[C@H](CNC4CC4)OC3=O)c2c1 ZINC000072119857 GE Annotated Anodyne COc1ccc2nc(C)cc(NC(=O)CN3C[C@@H](CNC4CC4)OC3=O)c2c1 ZINC000072119858 GE Annotated Anodyne Cc1c(Nc2csc3c2C(=O)N[S@@](=O)N3)c(=O)n(-c2ccccc2)n1C ZINC000072120331 GE Annotated Anodyne Cc1c(Nc2csc3c2C(=O)N[S@](=O)N3)c(=O)n(-c2ccccc2)n1C ZINC000072120332 GE Annotated Anodyne Cc1n[nH]c2c1[C@@H](c1cc3ccccc3nc1N1CCOCC1)C(C#N)=C(N)O2 ZINC000072123412 GE Annotated Reactive Cc1n[nH]c2c1[C@H](c1cc3ccccc3nc1N1CCOCC1)C(C#N)=C(N)O2 ZINC000072123413 GE Annotated Reactive CCN/C(=N\S(=O)(=O)c1c(Cl)nc2sccn12)N1C[C@@H](CC)C=N1 ZINC000072124405 GE Annotated Mild CCN/C(=N\S(=O)(=O)c1c(Cl)nc2sccn12)N1C[C@H](CC)C=N1 ZINC000072124406 GE Annotated Mild O=C1c2cc3c(cc2OCN1C[C@@H](O)c1ccccc1)C(=O)N1CCC[C@H]1O3 ZINC000072124940 GE Annotated Anodyne O=C1c2cc3c(cc2OCN1C[C@H](O)c1ccccc1)C(=O)N1CCC[C@H]1O3 ZINC000072124941 GE Annotated Anodyne O=C1c2cc3c(cc2OCN1C[C@@H](O)c1ccccc1)C(=O)N1CCC[C@@H]1O3 ZINC000072124942 GE Annotated Anodyne O=C1c2cc3c(cc2OCN1C[C@H](O)c1ccccc1)C(=O)N1CCC[C@@H]1O3 ZINC000072124943 GE Annotated Anodyne O=C(CN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O)c1ccccc1 ZINC000072126087 GE Annotated Anodyne O=C(CN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O)c1ccccc1 ZINC000072126088 GE Annotated Anodyne C[C@@H](Cn1cc(Cl)cn1)n1cnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072127919 GE Annotated Anodyne C[C@@H](Cn1cc(Cl)cn1)n1cnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072127920 GE Annotated Anodyne C[C@H](Cn1cc(Cl)cn1)n1cnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072127941 GE Annotated Anodyne C[C@H](Cn1cc(Cl)cn1)n1cnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072127942 GE Annotated Anodyne O=C1c2cc3nnn(CCc4cccc(F)c4)c(=O)c3cc2O[C@H]2CCCN12 ZINC000072128495 GE Annotated Anodyne O=C1c2cc3nnn(CCc4cccc(F)c4)c(=O)c3cc2O[C@@H]2CCCN12 ZINC000072128496 GE Annotated Anodyne Cn1c(=O)c2c(-c3ccccc3)n(-c3cc(C(=O)O)ccc3O)cc2n(C)c1=O ZINC000072136695 GE Annotated Anodyne CC(C)CNS(=O)(=O)c1ccc(Br)cc1N1CCC[C@H]1CO ZINC000072136700 GE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)c(F)c1)C2 ZINC000072142772 GE Annotated Bother CC(=O)Nn1c(S)nnc1Cc1c(NC(=O)CCl)sc2c1CCCC2 ZINC000072174786 GE Annotated Reactive N#Cc1c(-c2ccc(C(=O)NCCO)cc2)c(C#N)c2nc3ccccc3n2c1N ZINC000072175153 GE Annotated Mild CO/N=C(/C(=O)NC[P@@](=O)(O)Oc1ccc(C#N)c(F)c1)c1cccs1 ZINC000072175237 GE Annotated Mild CCCCc1ccc(C#Cc2ccc(S(=O)(=O)NCC(=O)NO)s2)cc1 ZINC000072175266 GE Annotated Mild CO/N=C(\C(=O)NC[P@@](=O)(O)Oc1ccc(C#N)c(F)c1)c1cccs1 ZINC000072175309 GE Annotated Mild CC(=O)Nn1c(S)nnc1Cc1c(NCCC(=O)O)sc2c1CCCC2 ZINC000072175461 GE Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccc(O)cc2)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176598 GE Annotated Mild CC[C@H](CO)NC(=O)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1CO ZINC000072176640 GE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)c(O)c1)C2 ZINC000072177595 GE Annotated Bother C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CN3c2ccccc2[N+](=O)[O-])[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177598 GE Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccccc2)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177673 GE Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CN3c2cccc([N+](=O)[O-])c2)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177692 GE Annotated Mild Cc1c(Br)ccc2c1/C(=N/NC(=O)Cc1ccc(O)cc1)C(=O)N2 ZINC000072177875 GE Annotated Reactive Cc1nc2sc(S(N)(=O)=O)nn2c(=O)c1/N=N/c1ccc(Cl)cc1 ZINC000072178214 GE Annotated Clean C[C@H](C(=O)N/N=C1\C(=O)Nc2ccc(C#CCN(C)C)cc21)c1ccc(F)cc1 ZINC000072178293 GE Annotated Reactive C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccc(C#CCN(C)C)cc21)c1ccc(F)cc1 ZINC000072178294 GE Annotated Reactive COc1ccc(N2C[C@]23C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)cc1 ZINC000072179092 GE Annotated Mild COc1ccccc1N1C[C@]12C(=O)O[C@@H]1[C@H]2CC[C@H](C)[C@]2(O)C=CC(=O)[C@@]12C ZINC000072179093 GE Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1F)C2 ZINC000072179192 GE Annotated Bother O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2ccc(OC(F)(F)F)cc21 ZINC000072179592 GE Annotated Reactive Cc1cc(C)nc(N(COC(=O)C(C)(C)C)S(=O)(=O)c2ccc(N)cc2)n1 ZINC000072179697 GE Annotated Anodyne COc1cc(OC(F)(F)F)ccc1CN[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072179903 GE Annotated Bother COc1cc(CN[C@@H]2COc3nc([N+](=O)[O-])cn3C2)ccc1OC(F)(F)F ZINC000072179913 GE Annotated Bother Cc1ccc2c(c1Br)/C(=N/NC(=O)Cc1ccc(O)cc1)C(=O)N2 ZINC000072180255 GE Annotated Reactive O=CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072180622 GE Annotated Bother CCOP(=O)(OCC)OCCCCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O ZINC000072181060 GE Annotated Anodyne CN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F ZINC000072181321 GE Annotated Anodyne COCCN(CCOC)Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000072181835 GE Annotated Anodyne O=C(O)CCC[C@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)CBr)[C@@H]23 ZINC000072182628 GE Annotated Reactive O/N=C(\NCCN1CCOCC1)c1ccnc(Oc2ccc(F)c(F)c2)c1 ZINC000072183720 GE Annotated Mild COc1cc(C)ccc1Oc1ncccc1/C(=N/O)NCCN1CCOCC1 ZINC000072185608 GE Annotated Mild O/N=C(\NC[C@@H]1CCCO1)c1cccnc1Oc1ccc(-n2cncn2)cc1 ZINC000072186411 GE Annotated Mild O/N=C(\NC[C@H]1CCCO1)c1cccnc1Oc1ccc(-n2cncn2)cc1 ZINC000072186412 GE Annotated Mild CCN(CC)CCNC(=O)c1ccc(C(=O)O)c(I)c1 ZINC000072190147 GE Annotated Anodyne investigational CCc1ncnc(N2CCC(O)(C(F)(F)F)CC2)c1C#Cc1ccc(N)nc1 ZINC000072316386 GE Annotated Mild COc1cc(NCC2CCNCC2)nc2c1nnn2-c1cccc(N(C)C)c1 ZINC000072316408 GE Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)Nc3ccc4c(c3)OCCO4)cc2n1C ZINC000072323436 GE Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCc1cccc(OC)c1 ZINC000072323597 GE Annotated Mild CC(=O)N1CCN(C(=O)c2cnc3c(c2)c(C#N)cn3Cc2ccccc2)CC1 ZINC000072323819 GE Annotated Mild CCCS(=O)(=O)N1CCC(n2nc(-c3cc(C)oc3C)ccc2=O)CC1 ZINC000072342431 GE Annotated Anodyne O=C(CCCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1)NO ZINC000073139301 GE Annotated Bother NC(N)=N/N=C/c1c(-c2ccc(F)c([N+](=O)[O-])c2)nc2sc(Cl)cn12 ZINC000073140739 GE Annotated Mild O=C(CCCC1CCN(S(=O)(=O)c2cccc(-c3cnco3)c2)CC1)NO ZINC000073141123 GE Annotated Bother Cc1nc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2c1[nH]c1ccccc12 ZINC000073142287 GE Annotated Reactive CC(C)c1ccc([S@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1 ZINC000073157961 GE Annotated Anodyne CC(C)c1ccc([S@@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1 ZINC000073157964 GE Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cccc([N+](=O)[O-])c4)cc3OC[C@@H]12 ZINC000073161368 GE Annotated Bother CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(CC#N)nc4)cc3OC[C@@H]12 ZINC000073162295 GE Annotated Mild CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C(C)=O)nc4)cc3OC[C@@H]12 ZINC000073163545 GE Annotated Anodyne Cc1cc(C)c2cc1C(=O)NCCCC(=O)NCCSc1cc-2nc(N)n1 ZINC000073166351 GE Annotated Anodyne O=[N+]([O-])c1ncn(CCCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000073167463 GE Annotated Bother N#Cc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000073168042 GE Annotated Reactive Cc1ccc(S(=O)(=O)Nc2cncc(-c3cnc(N)nc3)c2)cc1[N+](=O)[O-] ZINC000073168357 GE Annotated Bother O=C(/N=C/c1ccccc1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCOCC1 ZINC000073169415 GE Annotated Mild Cn1nnnc1/N=C(\O)N1CCC2(CC1)C[C@H](c1cccc(Cl)c1)CO2 ZINC000073169564 GE Annotated Mild Cn1nnnc1/N=C(\O)N1CCC2(CC1)C[C@@H](c1cccc(Cl)c1)CO2 ZINC000073169566 GE Annotated Mild CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cncc(C(C)=O)c4)cc3OC[C@@H]12 ZINC000073195823 GE Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C(C)=O)cn4)cc3OC[C@@H]12 ZINC000073195824 GE Annotated Anodyne CN(CCc1ccccc1)Cc1cn(C[C@H](O)COC(=O)c2ccccc2)nn1 ZINC000073197304 GE Annotated Anodyne CN(CCc1ccccc1)Cc1cn(C[C@@H](O)COC(=O)c2ccccc2)nn1 ZINC000073197305 GE Annotated Anodyne O=C1[C@H]2N=NN(Cc3nc(-c4ccc(F)cc4)no3)[C@H]2C(=O)N1c1ccccc1 ZINC000073197648 GE Annotated Anodyne CN(C(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073198562 GE Annotated Bother O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)Oc1ccc(OC(F)(F)F)cc1 ZINC000073198927 GE Annotated Bother O=C(Cc1ccc(-c2ccc(F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073199219 GE Annotated Bother Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12 ZINC000073199331 GE Annotated Mild Cc1ncc(Cn2cc(COc3ccc([N+](=O)[O-])cc3Cl)nn2)c(N)n1 ZINC000073199335 GE Annotated Bother Cc1cc(C)c2cc1C(=O)NCCNC(=O)CCCSc1cc-2nc(N)n1 ZINC000073219084 GE Annotated Anodyne Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N=C3O)cc2)nc1 ZINC000073224346 GE Annotated Clean NCCC[C@@H](N)C(=O)N[C@@H](C(=O)Nc1ccc2ccccc2c1)c1ccco1 ZINC000073224383 GE Annotated Anodyne NCCC[C@@H](N)C(=O)N[C@H](C(=O)Nc1ccc2ccccc2c1)c1ccco1 ZINC000073224384 GE Annotated Anodyne C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c(=O)c(C#N)cn1c23 ZINC000073224557 GE Annotated Mild C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C#N)cn1c23 ZINC000073224571 GE Annotated Mild CCCCCCCCCC/C=C/C[C@H](OS(=O)(=O)O)[C@H](O)[C@H](N)CO ZINC000073240421 GE Annotated Mild COc1ccc([C@@H]2COc3c(OC)c(OC)c(OC)c(O)c3C2=O)cc1N ZINC000073240715 GE Annotated Anodyne COc1ccc([C@H]2COc3c(OC)c(OC)c(OC)c(O)c3C2=O)cc1N ZINC000073240717 GE Annotated Anodyne Nc1cccn2cc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)nc12 ZINC000073297251 GE Annotated Anodyne O=c1ccc(C(F)(F)F)cn1-c1ccc(N(CCO)CCO)cc1Cl ZINC000073297618 GE Annotated Anodyne C1=CC=C2NCCOCC/N=C3\C=CC=CC=C3NCCOCC/N=C/2C=C1 ZINC000073298576 GE Annotated Clean C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c(=O)c(C#N)cn1c23 ZINC000073386156 GE Annotated Mild O=[N+]([O-])c1ccc(/C=N/Nc2c([N+](=O)[O-])cc3[nH]c(O)nc3c2[N+](=O)[O-])o1 ZINC000073391282 GE Annotated Mild NCCCCN1C(=O)N(CC(=O)O)C(=O)C1(c1ccccc1)c1ccccc1 ZINC000073404068 GE Annotated Anodyne COc1ccc(NC(=O)CO/N=C/C(=O)Nc2ccccc2C)c([N+](=O)[O-])c1 ZINC000007985192 GE Annotated Mild COC(=O)CNC(=O)[C@@]1(Cc2ccccc2)C=C[C@@H](C)N1C(=O)c1ccccc1 ZINC000007992809 GE Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C ZINC000007998163 GE Annotated Anodyne COC(=O)[C@@H]1O[C@@H](c2c(OC)c(OC)c(C)c(OC)c2OC)[C@H](C)[C@@H](O)[C@@H]1C ZINC000007998503 GE Annotated Anodyne Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)c3cc(F)cc(F)c3)oc(C)c12 ZINC000008013086 GE Annotated Anodyne Cc1cc2c(cc1Cl)S[C@H](c1c(O)[nH]c(=S)[nH]c1=O)NS2(=O)=O ZINC000080847732 GE Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCC4(CC3)OCCO4)C(=O)O[C@@H]1C2 ZINC000082051193 GE Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCC2(CC1)OCCO2 ZINC000082051194 GE Annotated Anodyne C[C@]12CCC[C@]3(C)C[C@H]4OC(=O)[C@H](CN5CCC6(CC5)OCCO6)[C@H]4C[C@]13O2 ZINC000082051753 GE Annotated Anodyne O=C1C=C2C[C@H](N3CCN(c4ccccc4)CC3)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 ZINC000082051984 GE Annotated Anodyne C[C@@H](Cc1nsc(N2CCN(C)CC2)n1)NC1CC(C)(C)NC(C)(C)C1 ZINC000082052252 GE Annotated Anodyne C[C@H](Cc1nsc(N2CCN(C)CC2)n1)NC1CC(C)(C)NC(C)(C)C1 ZINC000082052255 GE Annotated Anodyne CCc1nnc(Nc2nc3nonc3nc2Nc2nnc(CC)s2)s1 ZINC000082053401 GE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)N4CCCNCC4)C3)co2)cc1 ZINC000082069476 GE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)N4CCCNCC4)C3)co2)cc1 ZINC000082069477 GE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)N3CCCNCC3)C2)co1 ZINC000082069498 GE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)N3CCCNCC3)C2)co1 ZINC000082069499 GE Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2csc(CC)n2)C1 ZINC000082069658 GE Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2csc(CC)n2)C1 ZINC000082069659 GE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)N2CCCNCC2)C(C)C)co1 ZINC000082070164 GE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)N2CCCNCC2)C(C)C)co1 ZINC000082070165 GE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCN)C(C)C)cs1 ZINC000082070213 GE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCN)C(C)C)cs1 ZINC000082070214 GE Annotated Anodyne CCc1nc(C(=O)N[C@@H](C)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082070525 GE Annotated Anodyne CCc1nc(C(=O)N[C@H](C)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082070526 GE Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCOCCN(C)C ZINC000082070761 GE Annotated Anodyne C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCOCCN(C)C ZINC000082070762 GE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCN(C)C)cs1 ZINC000082070911 GE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCN(C)C)cs1 ZINC000082070912 GE Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCN)cs1 ZINC000082071602 GE Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCN)cs1 ZINC000082071603 GE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCC(=O)OCCN(C)C)cs1 ZINC000082072381 GE Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082073761 GE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)NCCCN3CCCC3)co2)cc1 ZINC000082073875 GE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCCCN2CCCC2)co1 ZINC000082073900 GE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCN(C)C)cs1 ZINC000082074107 GE Annotated Anodyne CN(C)CCOCCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 ZINC000082076500 GE Annotated Anodyne COc1cc([C@@H](O)c2nc(/C(O)=N/CCN(C)C)cs2)cc(OC)c1OC ZINC000082078735 GE Annotated Mild COc1cc([C@H](O)c2nc(/C(O)=N/CCN(C)C)cs2)cc(OC)c1OC ZINC000082078736 GE Annotated Mild NCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082080898 GE Annotated Anodyne NCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082080899 GE Annotated Anodyne O=C(c1coc(-c2cccs2)n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000082081416 GE Annotated Anodyne O=C(c1coc(-c2cccs2)n1)N1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000082081417 GE Annotated Anodyne CN(C)CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081570 GE Annotated Anodyne CN(C)CCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081571 GE Annotated Anodyne O=C(NCc1ccc(C(=O)N2CCNCC2)cc1)c1coc(-c2cccs2)n1 ZINC000082081842 GE Annotated Anodyne CNc1nc2cnc(Nc3cccc(C(C)=O)c3)cc2n1CCN1CCOCC1 ZINC000082082911 GE Annotated Anodyne C[C@H](/C(O)=N/Cc1ccccc1)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082082985 GE Annotated Mild C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCCN1CCCC1 ZINC000082083405 GE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCCN1CCCC1 ZINC000082083407 GE Annotated Anodyne C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N1CCCNCC1 ZINC000082083541 GE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N1CCCNCC1 ZINC000082083543 GE Annotated Anodyne C[C@H](/C(O)=N/CCN(C)C)N1Cc2ccc(-c3ccc(C#N)cc3)nc2C1=O ZINC000082083657 GE Annotated Mild CCCCOC(=O)COC(=O)[C@@H](C)NC(=O)c1coc(-c2cccs2)n1 ZINC000082083913 GE Annotated Anodyne CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1coc(-c2cccs2)n1 ZINC000082083915 GE Annotated Anodyne C[C@H](/C(O)=N/CCc1ccccc1)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082083988 GE Annotated Mild CC(=O)NCSC[C@@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084115 GE Annotated Anodyne CC(=O)NCSC[C@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084116 GE Annotated Anodyne CC(=O)NCSC[C@@H](CO)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084180 GE Annotated Anodyne CC(=O)NCSC[C@H](CO)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084181 GE Annotated Anodyne O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)NCc1ccco1 ZINC000082084809 GE Annotated Bother CCCCNC(=O)CNC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082084870 GE Annotated Anodyne O=C(NCC(=O)N1CCCNCC1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084908 GE Annotated Anodyne CCCCOCCOC(=O)CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084943 GE Annotated Anodyne CN(CC(=O)N1CCCNCC1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085718 GE Annotated Anodyne CN(CC(=O)NCCCN1CCCC1)C(=O)c1coc(-c2cccs2)n1 ZINC000082085727 GE Annotated Anodyne CN(CC(=O)N1CCCNCC1)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085752 GE Annotated Anodyne CCCCOC(=O)COC(=O)CN(C)C(=O)c1coc(-c2cccs2)n1 ZINC000082085819 GE Annotated Anodyne O=C(N[C@H](CO)COCc1ccccc1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085886 GE Annotated Anodyne O=C(N[C@@H](CO)COCc1ccccc1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085887 GE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H]3CCCCNC3=O)cs2)c1 ZINC000082086262 GE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H]3CCCCNC3=O)cs2)c1 ZINC000082086263 GE Annotated Anodyne COc1cc2nc(NC[C@H](O)CO)nc(NCCC(C)(C)C)c2cc1OC ZINC000082129422 GE Annotated Anodyne COc1cc2nc(NC[C@@H](O)CO)nc(NCCC(C)(C)C)c2cc1OC ZINC000082129424 GE Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 ZINC000082132887 GE Annotated Mild NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)C1 ZINC000082133293 GE Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)C1 ZINC000082133294 GE Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 ZINC000082133893 GE Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 ZINC000082133894 GE Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 ZINC000082133896 GE Annotated Anodyne CCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134532 GE Annotated Bother O=C(c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000082134739 GE Annotated Bother CC[C@@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135739 GE Annotated Bother CC[C@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135740 GE Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)C1 ZINC000082139991 GE Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)C1 ZINC000082139994 GE Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(F)cc2)n1 ZINC000082140999 GE Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1 ZINC000082141010 GE Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 ZINC000082141284 GE Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 ZINC000082141427 GE Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 ZINC000082141438 GE Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(F)cc1 ZINC000082141564 GE Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082141929 GE Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082141931 GE Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc(C)c2)n1 ZINC000082146820 GE Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc(C)c1 ZINC000082147271 GE Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc(C)c1 ZINC000082147566 GE Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc(C)c1 ZINC000082147569 GE Annotated Anodyne COCCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147996 GE Annotated Bother O=C(NCC1CC1)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148861 GE Annotated Bother O=C(O)[C@H]1NCCN(C(=O)c2ccc(/N=N/c3ccccc3)cc2)[C@H]1C(=O)O ZINC000082149056 GE Annotated Clean COCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150191 GE Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)CC1 ZINC000082151774 GE Annotated Anodyne C/C(=N\NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cnn2ccc(C#N)cc12 ZINC000082151930 GE Annotated Mild CC(=O)NCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F ZINC000082153122 GE Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1F ZINC000082153130 GE Annotated Anodyne CC(C)O[C@H]1CCN[C@@H]1C(=O)Cn1cnc2cccc(C(F)(F)F)c2c1=O ZINC000082153221 GE Annotated Anodyne CCCCNC(=O)OC[C@H](O)Cn1cc(CN(C)CC2CCCCC2)nn1 ZINC000082153247 GE Annotated Anodyne CCCCNC(=O)OC[C@@H](O)Cn1cc(CN(C)CC2CCCCC2)nn1 ZINC000082153251 GE Annotated Anodyne CN(C(=O)c1ccccc1OC(F)(F)F)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082153847 GE Annotated Bother CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000082154593 GE Annotated Mild CN(C(=O)c1cccc(OC(F)(F)F)c1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082154900 GE Annotated Bother COc1cc(Cc2nnc(NC(C)(C)C)o2)c(S(=O)(=O)N(C)C)cc1OC ZINC000082156503 GE Annotated Anodyne O=C(Cn1cncn1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000082157528 GE Annotated Anodyne CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2cccnc21 ZINC000082158485 GE Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F ZINC000082160015 GE Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc(C)c1 ZINC000082160081 GE Annotated Anodyne COc1cc(-c2nc3c(NCC(C)C)ncnc3n2CCNC(C)=O)ccc1O ZINC000082177819 GE Annotated Anodyne COc1cc(-c2nc3c(NCC4CC4)ncnc3n2CCNC(C)=O)ccc1O ZINC000082179786 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082194210 GE Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082194213 GE Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082194778 GE Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082194780 GE Annotated Anodyne COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082195556 GE Annotated Anodyne COCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196010 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082197096 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082197097 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082197098 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082197099 GE Annotated Anodyne COc1cc(CNc2nc(N(C)CCN(C)C)ncc2C)cc(OC)c1OC ZINC000082202811 GE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCc3ccc(C)cc3)n2)CC1 ZINC000082203599 GE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCc3cccc(C)c3)n2)CC1 ZINC000082203601 GE Annotated Anodyne CCOC(=O)C[C@@H](C)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082203831 GE Annotated Anodyne CCOC(=O)C[C@H](C)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082203832 GE Annotated Anodyne COC1CCC([C@H](C)Nc2nc(N3CCC(C(N)=O)CC3)ncc2C)CC1 ZINC000082203972 GE Annotated Anodyne Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCCCN(C)c1ccccc1 ZINC000082203977 GE Annotated Anodyne CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)C1 ZINC000082204034 GE Annotated Anodyne CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)C1 ZINC000082204036 GE Annotated Anodyne CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)C1 ZINC000082204038 GE Annotated Anodyne CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)C1 ZINC000082204040 GE Annotated Anodyne COC1CCC([C@H](C)Nc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)CC1 ZINC000082204042 GE Annotated Anodyne COC1CCC([C@H](C)Nc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)CC1 ZINC000082204044 GE Annotated Anodyne COC[C@H](Cc1ccccc1)Nc1nc(N2CC[C@H](NC(C)=O)C2)ncc1C ZINC000082204302 GE Annotated Anodyne COC[C@H](Cc1ccccc1)Nc1nc(N2CC[C@@H](NC(C)=O)C2)ncc1C ZINC000082204304 GE Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccncc1)CCN2 ZINC000082204504 GE Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 ZINC000082204570 GE Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)CCN2 ZINC000082204628 GE Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2 ZINC000082204769 GE Annotated Mild O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2)C1CC1 ZINC000082204865 GE Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 ZINC000082204867 GE Annotated Mild C=CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204889 GE Annotated Mild COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205171 GE Annotated Anodyne C=CCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205312 GE Annotated Mild CC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205337 GE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205429 GE Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205533 GE Annotated Anodyne CC(C)n1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205600 GE Annotated Anodyne COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205684 GE Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205688 GE Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205853 GE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2)C1CC1 ZINC000082206070 GE Annotated Anodyne COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206147 GE Annotated Anodyne COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206149 GE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206229 GE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206230 GE Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206403 GE Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206405 GE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206525 GE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206527 GE Annotated Anodyne COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206706 GE Annotated Anodyne COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206707 GE Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206914 GE Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C(C)C)N2 ZINC000082206916 GE Annotated Mild CC[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(CCOC)c2=O)N1 ZINC000082207370 GE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(CCOC)c2=O)N1 ZINC000082207372 GE Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207467 GE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207471 GE Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207497 GE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207500 GE Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207508 GE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207510 GE Annotated Anodyne COCCn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207709 GE Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@H](CC)N2 ZINC000082207790 GE Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082207792 GE Annotated Anodyne COC(=O)Cn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207817 GE Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082207926 GE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082207928 GE Annotated Anodyne CC[C@@H]1Cn2c(c(NC(C)=O)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208087 GE Annotated Anodyne CC[C@H]1Cn2c(c(NC(C)=O)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208090 GE Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208403 GE Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208405 GE Annotated Anodyne COCCn1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208479 GE Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208877 GE Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208880 GE Annotated Anodyne COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208910 GE Annotated Anodyne COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208916 GE Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 ZINC000082209825 GE Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 ZINC000082209826 GE Annotated Anodyne C=CCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209886 GE Annotated Mild C=CCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209889 GE Annotated Mild C=CCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209897 GE Annotated Mild C=CCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209899 GE Annotated Mild CC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209965 GE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209967 GE Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210444 GE Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210447 GE Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210471 GE Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210477 GE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210556 GE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210668 GE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210670 GE Annotated Anodyne C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210778 GE Annotated Anodyne C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210780 GE Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210786 GE Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210791 GE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082210886 GE Annotated Anodyne C[C@@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082210987 GE Annotated Anodyne C[C@H]1CNc2c(NCc3ccc(O)cc3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082210990 GE Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082210998 GE Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(O)c3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211002 GE Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211339 GE Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211342 GE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@H](C)CN2 ZINC000082211669 GE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H](C)CN2 ZINC000082211671 GE Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212513 GE Annotated Anodyne C[C@H]1CNc2c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212517 GE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](C)CN2 ZINC000082212591 GE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](C)CN2 ZINC000082212595 GE Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212638 GE Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212640 GE Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212643 GE Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212645 GE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NC3CCC(C)CC3)n2)CC1 ZINC000082212915 GE Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(NCCCN(C)c3ccccc3)n2)C1 ZINC000082212939 GE Annotated Anodyne COC[C@H](Cc1ccccc1)Nc1nc(N2CCC(C(N)=O)CC2)ncc1C ZINC000082212950 GE Annotated Anodyne COc1cc(CNc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)cc(OC)c1 ZINC000082212955 GE Annotated Anodyne COc1cc(CNc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)cc(OC)c1 ZINC000082212956 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCC#N ZINC000082214238 GE Annotated Mild C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCC#N ZINC000082214239 GE Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCC#N ZINC000082214240 GE Annotated Mild C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCC#N ZINC000082214241 GE Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)NCC3CC3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082215005 GE Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082216982 GE Annotated Bother CC[C@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082216986 GE Annotated Bother C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082218848 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082218850 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082218854 GE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082218856 GE Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082224325 GE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082224327 GE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](C)CN2 ZINC000082224489 GE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082224496 GE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224500 GE Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O ZINC000082231681 GE Annotated Anodyne C=C(C)[C@@H](O)[C@H](C)/C=C\C=C/CC[C@@H](O)CC1=C(C)C(=O)[C@@](O)([C@@H](C)O)O1 ZINC000083924459 GE Annotated Mild in-vitro C=C(C)[C@@H](O)[C@H](C)/C=C\C=C\CC[C@@H](O)CC1=C(C)C(=O)[C@@](O)([C@@H](C)O)O1 ZINC000083924460 GE Annotated Mild in-vitro C=C(C)[C@@H](O)[C@H](C)/C=C/C=C\CC[C@@H](O)CC1=C(C)C(=O)[C@@](O)([C@@H](C)O)O1 ZINC000083924464 GE Annotated Mild in-vitro C=C(C)[C@@H](O)[C@H](C)/C=C/C=C/CC[C@@H](O)CC1=C(C)C(=O)[C@@](O)([C@@H](C)O)O1 ZINC000083924466 GE Annotated Mild in-vitro CC(=O)O[C@H]1CCCN2[C@@H]1CC(=O)[C@H](n1cnc3ccccc3c1=O)C2(C)C ZINC000084416109 GE Annotated Anodyne COC(=O)[C@]1(C)N[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000084457725 GE Annotated Anodyne N#Cc1ccc(CN(Cc2cc(-c3ccccc3)on2)[C@H](CO)C(N)=O)cc1 ZINC000084480432 GE Annotated Mild CN(C)C(=O)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1 ZINC000084489107 GE Annotated Anodyne CCCCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)o1 ZINC000084538254 GE Annotated Anodyne COc1ccc(Cc2nn(Cc3n[nH]c(=S)n3C)c(=O)c3c(C)noc23)cc1 ZINC000084586943 GE Annotated Anodyne COC(=O)C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)OC ZINC000084587675 GE Annotated Clean CN1CCN(Cc2cc(-c3ccc4c(N)cc5n[nH]c(=O)n5c4c3)cs2)CC1 ZINC000084588035 GE Annotated Anodyne COc1cc(-c2cn([C@H]3C(=O)N[C@H]4CC[C@@H]3C4)nn2)ccc1-n1cnc(C)c1 ZINC000084596718 GE Annotated Anodyne COc1cc(-c2cn([C@@H]3C(=O)N[C@H]4CC[C@@H]3C4)nn2)ccc1-n1cnc(C)c1 ZINC000084596719 GE Annotated Anodyne O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3c(c2)S(=O)(=O)N=C3O)cc1 ZINC000084596764 GE Annotated Bother O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)N1CCC(F)(F)C1 ZINC000084596778 GE Annotated Anodyne COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)CN(CCO)C2 ZINC000084603422 GE Annotated Anodyne C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1 ZINC000084604662 GE Annotated Mild CCCC(=O)OCOP(=O)(CCCC(=O)NO)OCOC(=O)CCC ZINC000084604938 GE Annotated Bother CCCC(=O)OCOP(=O)(CCCC(=O)N(C)O)OCOC(=O)CCC ZINC000084604940 GE Annotated Anodyne C#Cc1ccc(Nc2c(C(=O)NOCCO)c3c(n2C)C(=O)CCC3)c(F)c1 ZINC000084615772 GE Annotated Mild CN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12 ZINC000084615832 GE Annotated Anodyne O=C(Cc1ccncc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1 ZINC000084617176 GE Annotated Anodyne CCN(CC)CC(=O)N1CCc2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2C1 ZINC000084617277 GE Annotated Anodyne CNc1nnc(Cn2nc(Cc3ccc(OC)cc3)c3onc(C)c3c2=O)s1 ZINC000084617694 GE Annotated Anodyne O=C(CN1CCCCC1)N1CCc2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2C1 ZINC000084618407 GE Annotated Anodyne c1ccc(Nc2nc(N3CCNCC3)nc3c(NCC4CC4)ncnc23)cc1 ZINC000084633294 GE Annotated Anodyne C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@H](O)[C@H]2CO1 ZINC000084634322 GE Annotated Mild O=C(Cc1ccccn1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1 ZINC000084635806 GE Annotated Anodyne CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC1=O ZINC000084652320 GE Annotated Anodyne CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(Br)cc2)CC1(C)C ZINC000084654003 GE Annotated Reactive CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(Br)cc2)CC1(C)C ZINC000084654004 GE Annotated Reactive NC(=O)c1c(N)nc(OC2CCCC2)nc1Oc1cccc(CCC(=O)O)c1 ZINC000084654036 GE Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nccn3c2)c1F ZINC000084654398 GE Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2cc(N)ncn2)c1F ZINC000084668841 GE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C=C[C@@]52C=O)[C@]63O)CC[C@@H]41 ZINC000084669261 GE Annotated Mild CC1=NN(c2nc3sc(C(N)=O)c(C)c3c(=O)n2Cc2ccccc2)C(=O)C1 ZINC000084669919 GE Annotated Anodyne COc1ccc2[nH]c(-n3cccn3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000084670876 GE Annotated Anodyne Nc1nc(OC2CCC(Cl)CC2)nc2c1c(=O)ccn2[C@H]1CCC[C@@H]1O ZINC000084671083 GE Annotated Reactive O=S(=O)(O)O/N=C(/Cc1c[nH]c2ccccc12)S[C@H]1CC[C@H](O)CO1 ZINC000084687378 GE Annotated Mild COCCn1nc(C)c(C(=O)N[C@@H]2COc3cccc(-c4ccncc4)c3C2)n1 ZINC000084687439 GE Annotated Anodyne COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)C(C)C)C1=O ZINC000084690347 GE Annotated Anodyne O=[N+]([O-])c1nccn1CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000084690799 GE Annotated Bother CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000084708610 GE Annotated Reactive CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000084708614 GE Annotated Reactive N#CCCN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000084709573 GE Annotated Mild COc1cccc(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@H]2C)c1 ZINC000084712085 GE Annotated Anodyne COc1cccc(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@@H]2C)c1 ZINC000084712086 GE Annotated Anodyne COc1ccc(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@H]2C)cc1 ZINC000084712088 GE Annotated Anodyne COc1ccc(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@@H]2C)cc1 ZINC000084712090 GE Annotated Anodyne CCOCn1c(Cc2ccccc2)c(I)c(N)nc1=O ZINC000084724308 GE Annotated Anodyne Cc1cc(NNC(=O)c2ccc(S(C)(=O)=O)cc2)c2cc3c(cc2n1)OCO3 ZINC000084725424 GE Annotated Reactive CCO/C=N/NC(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@H]21 ZINC000084726262 GE Annotated Reactive CCO/C=N/NC(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@@H]21 ZINC000084726267 GE Annotated Reactive COc1ccccc1CN1Cc2cc(OC)c(OS(N)(=O)=O)cc2C[C@H]1C ZINC000084726539 GE Annotated Anodyne COc1ccccc1CN1Cc2cc(OC)c(OS(N)(=O)=O)cc2C[C@@H]1C ZINC000084726543 GE Annotated Anodyne Cc1c(Cl)cccc1Cn1c(N)nc(=O)c2sc(N3CCOCC3)nc21 ZINC000084731754 GE Annotated Anodyne Cc1nn2c(N)c(C#N)nnc2c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084732764 GE Annotated Mild COc1ccc2nccc([C@H](c3nnnn3C(C)(C)C)N3CCN(C)CC3)c2c1 ZINC000084733092 GE Annotated Anodyne COc1ccc2nccc([C@@H](c3nnnn3C(C)(C)C)N3CCN(C)CC3)c2c1 ZINC000084733098 GE Annotated Anodyne COc1ccc2nccc([C@H](c3nnnn3C(C)(C)C)N3CCOCC3)c2c1 ZINC000084733099 GE Annotated Anodyne COc1ccc2nccc([C@@H](c3nnnn3C(C)(C)C)N3CCOCC3)c2c1 ZINC000084733105 GE Annotated Anodyne COc1cc(OC(C)=O)c2c(c1OC(C)=O)C(=O)c1cc(C)c(O)cc1C2=O ZINC000084759518 GE Annotated Clean COc1cc(O)c2c(c1OC(C)=O)C(=O)c1cc(C)c(OC(C)=O)cc1C2=O ZINC000084759519 GE Annotated Clean COc1cc(OC(C)=O)c2c(c1O)C(=O)c1cc(C)c(OC(C)=O)cc1C2=O ZINC000084759520 GE Annotated Clean COCCn1nc(C)c(C(=O)N[C@@H]2COc3cccc(-c4cccnc4)c3C2)n1 ZINC000084904601 GE Annotated Anodyne CN(C)[C@@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@@H]3CC[C@@]12C)[C@@H]45 ZINC000008552056 GE Annotated Anodyne in-vitro COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCCCCC1 ZINC000008578890 GE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@@H]43 ZINC000008579947 GE Annotated Anodyne COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCCCCC1 ZINC000008582554 GE Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1cccc(Cl)c1 ZINC000008583897 GE Annotated Anodyne COCCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000008589068 GE Annotated Anodyne O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)Nc1ccc(F)cc1F ZINC000008591932 GE Annotated Anodyne CCOc1ccc(CNC(=O)CS(=O)(=O)c2cccc3nsnc23)cc1 ZINC000008600736 GE Annotated Anodyne CC(C)c1ccc(NC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1 ZINC000008603147 GE Annotated Anodyne Cc1ccc(N(CC(=O)NCCc2ccccc2C)S(=O)(=O)N(C)C)cc1 ZINC000008604272 GE Annotated Anodyne Cc1ccc(CCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)N(C)C)cc1 ZINC000008604282 GE Annotated Anodyne CCN(CC)c1nn2c(=O)c(C(=O)NCCc3ccccc3C)cnc2s1 ZINC000008604343 GE Annotated Anodyne CCCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1 ZINC000008609378 GE Annotated Anodyne CCCn1c(=O)c2ccccc2n2c(SCC(=O)[C@H](C#N)C(C)=N)nnc12 ZINC000008628422 GE Annotated Mild O=C(O)C[C@H]1SC(N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)=NC1=O ZINC000008671550 GE Annotated Mild COc1cc2cc(CN(CCO)C(=O)c3cccs3)c(=O)[nH]c2cc1OC ZINC000008677416 GE Annotated Anodyne C=CCNC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)NCCOC ZINC000008691395 GE Annotated Mild CCOc1cccc(SCc2noc(C(=O)NCCOC)c2C(=O)O)c1 ZINC000008691397 GE Annotated Anodyne O=C(c1cc(=O)[nH]c2ccc(Br)cc12)N1CCC2(CC1)OCCO2 ZINC000008762852 GE Annotated Anodyne Cc1ccc(S(=O)(=O)NCCC(=O)NN/C=C2\C=Nc3ccccc32)cc1 ZINC000008844676 GE Annotated Reactive C=C(COC)C1=CCC(C(=O)OC)(C(=O)OC)[C@@H](C[N+](=O)[O-])c2ccccc21 ZINC000008860388 GE Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(c3ccsc3)OC=C2C1=O ZINC000008860672 GE Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(c3ccsc3)OC=C2C1=O ZINC000008860673 GE Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000008860686 GE Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000008860687 GE Annotated Mild C[C@@H]1N[C@H](CCCCCCCCC[C@@H](O)CC(=O)O)[C@@H]([N+]2=CC=N[CH+]2)C[C@H]1O ZINC000085488251 GE Annotated Mild in-vitro biogenic O=C1C=C[C@H](O)[C@H]([C@H](O)[C@@H](OC(=O)/C=C\c2ccccc2)c2ccccc2)O1 ZINC000085508453 GE Annotated Anodyne in-vitro biogenic O=C1C=C[C@H](O)[C@H]([C@H](O)[C@@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)O1 ZINC000085508454 GE Annotated Anodyne in-vitro biogenic CC[C@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@H]42 ZINC000085511410 GE Annotated Anodyne in-vitro biogenic CC[C@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@]34CCN(C[C@H]3O[C@H]31)[C@H]42 ZINC000085511412 GE Annotated Anodyne in-vitro biogenic COc1c2c(cc3c1[C@H]1[C@@H](c4ccc5c(c4CN1C)OCO5)[C@H](O)C3)OCO2 ZINC000085529964 GE 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]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000085531532 GE Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@](C2)(C(=O)O[C@@H]2O[C@H](OCC)[C@@H]4C(C)(C)CC[C@H](O)[C@]243)[C@@H]1O ZINC000085531850 GE Annotated Mild in-vitro biogenic CC[C@@H]1[C@@H]2OC(=O)[C@H](C)C2=C2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCCC(=O)[C@]213 ZINC000085541403 GE Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2[C@H]1CC[C@@H]2[C@@H](O)CC[C@H]2N1 ZINC000085547720 GE Annotated Anodyne in-vitro biogenic CNC(=N)NC[C@]1(C)[C@H]2CC3=C(C(=O)O)[C@@H](O)C[C@]31[C@H](C)CC21CCCC1 ZINC000085548993 GE Annotated Anodyne in-vitro biogenic CC1(C)[C@H]2CC3=C(CCCCN=C(N)N)C(=O)C[C@]31[C@H](CCCO)[C@@H](CO)C2 ZINC000085549606 GE Annotated Mild in-vitro biogenic C=C(CCCCO)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@@](O)(CCNC(=N)NC)[C@H]2C1 ZINC000085549831 GE Annotated Mild in-vitro biogenic CCCCc1c(O)c2c(c(O)c1OC)C(=O)c1nc(C(=O)O)cc(O)c1C2=O ZINC000085551062 GE Annotated Clean C=C1CC[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)=CC2=O ZINC000085560401 GE Annotated Mild C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593584 GE Annotated Clean in-vitro biogenic C[C@@]1(CCc2cccc(O)c2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593593 GE Annotated Anodyne in-vitro biogenic CCCOc1c2c(cc3oc(CO)c(CCCO)c(=O)c13)O[C@H](C(C)(C)O)C2 ZINC000085594495 GE Annotated Anodyne in-vitro biogenic C=C1C=C(C(=O)OCC)Oc2c(CO)c3c(c(OC)c21)C[C@@H](C(C)(C)O)O3 ZINC000085595051 GE Annotated Anodyne in-vitro biogenic C=C1C=C(C(=O)OCC)Oc2cc3c(c(OCCCO)c21)C[C@@H](C(C)(C)O)O3 ZINC000085595061 GE Annotated Anodyne in-vitro biogenic CNC(=N)N[C@H](C)CCCC(=O)CC(=O)CCc1ccc(O)c2c1CCCO2 ZINC000085627185 GE Annotated Anodyne in-vitro biogenic COc1cc(C[C@H]2CC#C[C@@H]([C@H](C)O)CC[C@H](O)C[C@@H]2OC(C)=O)ccc1O ZINC000085628418 GE Annotated Mild in-vitro biogenic O=C1C=C[C@@]2(C=C1Br)CCNC1=C2C2=NCCc3c[nH]c(c32)C1=O ZINC000085649112 GE Annotated Mild C=C1C[C@@H](O)[C@H]2[C@@H]([C@@H](C(=C)COC(C)=O)[C@H]1COC(C)=O)[C@]2(C)COC(C)=O ZINC000085775338 GE Annotated Mild CCOC(=O)N1C[C@@H]2OC(=O)c3cc4c(cc3[C@]23C=C[C@@H](OC)C[C@H]13)OCO4 ZINC000085808164 GE Annotated Anodyne CC1=C[C@@H]([C@@H]2O[C@@H]3CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)CC[C@H]4[C@H]3[C@@H]2C)OC1=O ZINC000085810548 GE Annotated Anodyne in-vitro biogenic CC[C@H](O)CO[C@H]1CN2Cc3cc4c(cc3[C@]13CC[C@@H](OC)C[C@H]23)OCO4 ZINC000085828184 GE Annotated Anodyne CC(=O)OCC(=O)N1c2ccccc2[C@]23CCN4C[C@@H]5[C@H](C[C@H]42)C(=CO[C@@H]5C)[C@H]13 ZINC000085831151 GE Annotated Anodyne COC(=O)/C(=C\C1=C(C(=O)O)[C@@]23CCCC(C)(C)[C@H]2[C@H](OC3=O)C1=O)C(C)C ZINC000085840294 GE Annotated Mild in-man COC(=O)C1=C[C@H]2C[C@@H]3N(CC[C@@]34C(=O)Nc3ccc(OC)cc34)C[C@H]2[C@H](C)O1 ZINC000085841501 GE Annotated Anodyne CN1CCc2cc3c(cc2[C@H]1[C@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3 ZINC000085850224 GE Annotated Anodyne C=C1CC[C@H]2C(=O)O[C@H](C3=C[C@H](O)OC3=O)C[C@]2(C)C/C=C\C=C/1C(=O)OC ZINC000085852462 GE Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](CO)CC/C=C(/C(=O)OC)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000085925940 GE Annotated Mild biogenic C=C1C(=O)O[C@@H]2C[C@@H](CO)CC/C=C(/C(=O)OC)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000085925943 GE Annotated Anodyne biogenic COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5cccc(OC)c54)[C@@H]3C[C@H]12 ZINC000085952754 GE Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C)CC[C@@H](OC(C)=O)[C@](C)(CO)[C@H]4C[C@@H](O)[C@]3(C2)[C@@H]1O ZINC000085959432 GE Annotated Mild COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(Nc5cc(OC)ccc5C4=O)[C@@H]3C[C@H]12 ZINC000085975774 GE Annotated Anodyne O=C(O)/C(=C1/OCO/C1=C(/C(=O)NCCO)c1ccccc1)c1ccccc1 ZINC000085979575 GE Annotated Anodyne O=C(O)CNC(=O)/C(=C1/OCO/C1=C(/C(=O)O)c1ccccc1)c1ccccc1 ZINC000085979577 GE Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](OCC)[C@@H](O)[C@@H]1[C@@](C)(CO)CCC[C@]21C ZINC000085995661 GE Annotated Mild C[C@H](O)CC1=C(O)C2=CC(=O)[C@H]3[C@@](C)(COC=O)CCC[C@]3(C)C2=C(O)C1=O ZINC000085995685 GE Annotated Mild CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](O)[C@@]21CO1 ZINC000086001872 GE Annotated Anodyne in-man endogenous CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](O)[C@@]21CO1 ZINC000086001876 GE Annotated Anodyne in-man CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](O)[C@@]21CO1 ZINC000086001883 GE Annotated Anodyne in-man CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](O)[C@@]21CO1 ZINC000086001884 GE Annotated Anodyne in-man C=C1CC[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)=CC2=O ZINC000086023460 GE Annotated Mild in-man C=C1CC[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)=CC2=O ZINC000086023462 GE Annotated Mild in-man C=C1CC[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)=CC2=O ZINC000086023468 GE Annotated Mild in-man C=C1CC[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)=CC2=O ZINC000086023471 GE Annotated Mild in-man COc1cc(/C=C/C=O)cc(O)c1-c1c(O)cc([C@@H]2OO[C@@H]2CO)cc1OC ZINC000086027516 GE Annotated Reactive O=C1C=C[C@H](O)[C@@]23O[C@@]12C1(C=C(Cl)C3=O)Oc2cccc3cccc(c23)O1 ZINC000086034291 GE Annotated Mild O=C1C=CC(=O)[C@]23O[C@]12C(=O)C(Cl)=CC31Oc2cccc3cccc(c23)O1 ZINC000086034294 GE Annotated Mild O=C1C(Cl)=CC2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]12[C@@H](O)CCC3=O ZINC000086034301 GE Annotated Mild COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CCC[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000086052962 GE Annotated Anodyne COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CC[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000086053108 GE Annotated Anodyne O=c1cc(OCc2cnnn2CC[N+]23CCC(CC2)CC3)c2ccccc2[nH]1 ZINC000087612818 GE Annotated Bother Cn1c(=O)cc(OCc2cnnn2CCC[N+]2(C)CCCC2)c2ccccc21 ZINC000087612820 GE Annotated Bother O=P(O)(O)O[P@](=O)(O)n1cnc(-c2ccccc2Nc2ccncc2)n1 ZINC000087722401 GE Annotated Anodyne Cn1c(=O)cc(OCc2cn(CC[N+]3(C)CCCCC3)nn2)c2ccccc21 ZINC000089468974 GE Annotated Bother Cn1c(=O)cc(OCc2cn(CC[N+]34CCC(CC3)CC4)nn2)c2ccccc21 ZINC000089468977 GE Annotated Bother Cn1c(=O)cc(OCc2cn(CCC[N+]3(C)CCCC3)nn2)c2ccccc21 ZINC000089468980 GE Annotated Bother CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(C(N)=O)CC1 ZINC000009286732 GE Annotated Anodyne Cc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)N1CCOCC1)c(=O)n2C ZINC000009526368 GE Annotated Anodyne Cc1[nH]c(C)c(S(=O)(=O)NCc2ccc(F)cc2)c1C(=O)N1CCCC1 ZINC000009684220 GE Annotated Anodyne Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)NCCc2ccccc2)c(C)n1C ZINC000009684767 GE Annotated Anodyne COc1cccc(-n2c(=O)n(C)c3c(C(N)=O)nc(-c4ccccc4F)nc32)c1 ZINC000009835429 GE Annotated Anodyne COc1cccc(-n2c(=O)n(C)c3c(C(N)=O)nc(-c4ccccc4C)nc32)c1 ZINC000009835440 GE Annotated Anodyne CC1(C)O[C@]23[C@H](O)[C@H]1[C@H](O)[C@H](OCc1ccccc1)[C@]2(C)CCC[C@]3(C)O ZINC000095485999 GE Annotated Anodyne in-vitro biogenic CC(C)[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1NS(C)(=O)=O ZINC000095519405 GE Annotated Anodyne CCN(CC)S(=O)(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 ZINC000095525489 GE Annotated Anodyne CCN(CC)S(=O)(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000095525490 GE Annotated Anodyne COCCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]2N1C ZINC000095544119 GE Annotated Anodyne COCCNC(=O)[C@H]1C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]2N1C ZINC000095544120 GE Annotated Anodyne C[C@H]1CN(c2cc(N(CCO)Cc3cccc4ccccc34)nc(=O)[nH]2)CCO1 ZINC000095552826 GE Annotated Anodyne Cc1nc(Nc2cnccn2)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1 ZINC000095554109 GE Annotated Anodyne Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cncnc4C)cn23)n1 ZINC000095554235 GE Annotated Anodyne Cc1nc(Nc2cccnn2)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1 ZINC000095554796 GE Annotated Anodyne Fc1ccc(-c2cnc3nnc(CSc4ncnc5[nH]ncc45)n3n2)cc1 ZINC000095554870 GE Annotated Anodyne Cc1cc(OC(=O)CCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000095556151 GE Annotated Anodyne Cc1cc(OC(=O)CCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000095556152 GE Annotated Anodyne Cc1c2cc[n+]([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccccc12 ZINC000095556210 GE Annotated Bother Cc1nc(N)nc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cncnc4)cn23)n1 ZINC000095557289 GE Annotated Anodyne CSc1nn2cc3c(nc2c1S(=O)(=O)c1ccc(F)cc1)CCN(C)C3 ZINC000095557385 GE Annotated Anodyne C[C@@H]1CN(c2cc(N(CCO)Cc3cccc4ccccc34)nc(=O)[nH]2)CCO1 ZINC000095557526 GE Annotated Anodyne Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cncnc4)cn23)n1 ZINC000095557579 GE Annotated Anodyne CC(=O)Oc1c(C(=O)Nc2ncc([N+](=O)[O-])s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000095558909 GE Annotated Reactive CC(=O)OCC1=C[C@H](OCc2ccc(-c3ccccc3)cc2)[C@H](O)[C@@H](O)C1=O ZINC000095559427 GE Annotated Mild CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cncnc3)cc21 ZINC000095560063 GE Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cncnc3)cc21 ZINC000095560064 GE Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cc(CCCCO)nn3)[C@@H]2CC1 ZINC000095560730 GE Annotated Anodyne CN1CCN(c2ccc([C@@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2F)C(=O)C1 ZINC000095562415 GE Annotated Bother CN1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2F)C(=O)C1 ZINC000095562416 GE Annotated Bother Cc1c2cc[n+]([C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccccc12 ZINC000095564724 GE Annotated Bother Cc1c2cc[n+]([C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccccc12 ZINC000095564725 GE Annotated Bother CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)CN(C)C ZINC000095565616 GE Annotated Anodyne CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@@](C)(CO)CN2C ZINC000095565911 GE Annotated Anodyne CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@](C)(CO)CN2C ZINC000095565912 GE Annotated Anodyne N#Cc1cccnc1N1CCN([C@H](C(=O)NC2CCCC2)c2ccco2)CC1 ZINC000095567227 GE Annotated Mild N#Cc1cccnc1N1CCN([C@@H](C(=O)NC2CCCC2)c2ccco2)CC1 ZINC000095567228 GE Annotated Mild Cc1cccc(N2CCN([C@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)c1C ZINC000095568112 GE Annotated Anodyne Cc1cccc(N2CCN([C@@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)c1C ZINC000095568113 GE Annotated Anodyne CCC/C(=N\OCC)C1=C(O)C[C@@](O)(C[C@H](C)S(=O)(=O)CC)CC1=O ZINC000095569733 GE Annotated Mild Cc1ccc(C)c(N2CCN([C@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)c1 ZINC000095570976 GE Annotated Anodyne Cc1ccc(C)c(N2CCN([C@@H]3C(=O)Nc4ccccc4-n4nnnc43)CC2)c1 ZINC000095570977 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)Cc3cccnc3)[C@H]2CNC(C)=O)cc1 ZINC000095571298 GE Annotated Anodyne O=C(N/N=C/c1ccc2c(c1)OCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000095572075 GE Annotated Reactive O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1ccc(N2CCOCC2)nc1C1CC1 ZINC000095572585 GE Annotated Anodyne N#Cc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]cc(C(=O)O)c3c2)cc1 ZINC000095575696 GE Annotated Mild Cc1c2c(c(C(=O)O)n1C)CCc1cc(S(=O)(=O)c3ccccc3)c(=O)[nH]c1-2 ZINC000095576269 GE Annotated Anodyne NC(=O)c1cc([N+](=O)[O-])ccc1CO[P@@](N)(=O)N(CCCl)CCCl ZINC000095576718 GE Annotated Reactive COc1ccc(NC(=O)[C@H]2CCC(C)=C(C)[C@@H]2C(=O)O)c(N2CCOCC2)n1 ZINC000095578783 GE Annotated Anodyne CNC(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1 ZINC000095579303 GE Annotated Anodyne N#CC1=CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 ZINC000095580970 GE Annotated Reactive CC(C)[C@@](C)(O)[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 ZINC000095581050 GE Annotated Anodyne CC(C)[C@](C)(O)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 ZINC000095581600 GE Annotated Anodyne N#CCC1=CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000095581920 GE Annotated Mild ON1CCN/C1=N/c1ccc(CCc2ccc(/N=C3\NCCN3O)cc2)cc1 ZINC000095582197 GE Annotated Mild N#CC=C1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000095582383 GE Annotated Reactive O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccc(Cl)cc2)N1 ZINC000095582437 GE Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc(Cl)cc2)N1 ZINC000095582438 GE Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccc(Cl)cc2)N1 ZINC000095582439 GE Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc(Cl)cc2)N1 ZINC000095582440 GE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc(Cl)cc3)[C@@H]12 ZINC000095584542 GE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)[C@@H]12 ZINC000095584543 GE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc(Cl)cc3)[C@H]12 ZINC000095584544 GE Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)[C@H]12 ZINC000095584545 GE Annotated Anodyne NCCCn1c2c(c3ccc(NCC(=O)O)cc3c1=O)C(=O)c1ccccc1-2 ZINC000095584965 GE Annotated Clean CC(C)[C@@](C)(O)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 ZINC000095585317 GE Annotated Anodyne COc1ccc(C(=O)NCCCN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000095585634 GE Annotated Anodyne CC(C)[C@](C)(O)[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 ZINC000095585675 GE Annotated Anodyne Cc1cc(N2CCOC2=O)ncc1-c1ccc2c(c1)OC[C@H]1[C@H](CO)OC(=O)N21 ZINC000095585841 GE Annotated Anodyne O=c1n(Cc2nc3c(n2CCCCO)CCCC3)c2cnccc2n1C1CC1 ZINC000095586984 GE Annotated Anodyne Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)N[C@@H](C)C(=O)O)[nH]n1 ZINC000095588836 GE Annotated Anodyne CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3cccc(F)c3O)nc12 ZINC000095588839 GE Annotated Anodyne Cn1c(Br)c(Br)[n+](CC(=O)c2ccccc2)c1CO ZINC000095589580 GE Annotated Mild CN(Cc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O)CC1OCCO1 ZINC000095590386 GE Annotated Clean CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(CC)cc1)CC2 ZINC000095590804 GE Annotated Anodyne CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3C#N)nc12 ZINC000095592065 GE Annotated Mild O=c1n(Cc2nc(-c3ncco3)cn2CCCCO)c2cnccc2n1C1CC1 ZINC000095592430 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095599486 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CN(C)C(C)=O ZINC000095599653 GE Annotated Anodyne CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000095600475 GE Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000095600476 GE Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](CO)CO[C@H]2CC(=O)c2cccs2)cc1 ZINC000095600523 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO2 ZINC000095600606 GE Annotated Anodyne CCCCCCCCCC1=CO[C@]2(C[C@H](C(=O)O)C(C(=O)O)(C(=O)O)O2)C1=O ZINC000095601529 GE Annotated Mild COc1ccc(-c2oc3c(c2C(=O)OCCO)[C@@H](OCCO)CCC3)cc1 ZINC000095601679 GE Annotated Anodyne COc1ccc(-c2oc3c(c2C(=O)OCCO)[C@H](OCCO)CCC3)cc1 ZINC000095601680 GE Annotated Anodyne CC(C)(CO)NC(=O)c1c[nH]c2ncc(-n3ncc4ccc(Cl)cc43)nc12 ZINC000095602641 GE Annotated Anodyne CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCCOc1ccccc1 ZINC000095604334 GE Annotated Anodyne CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000095604335 GE Annotated Anodyne O=c1[nH]c2ncc(-c3ccc(-c4nc[nH]n4)cc3)nc2n1CCC1CCOCC1 ZINC000095604390 GE Annotated Anodyne CCCCCCCCCC1=CO[C@]2(C[C@@H](C(=O)O)C(C(=O)O)(C(=O)O)O2)C1=O ZINC000095605261 GE Annotated Mild CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@@H]1C ZINC000095660953 GE Annotated Clean CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)NC(C)C)C[C@@H]23)cc1 ZINC000095660969 GE Annotated Mild CC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN(C)C2=O ZINC000095661051 GE Annotated Anodyne O=C(CC1CC1)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(Cc1cccnc1)C2 ZINC000095661340 GE Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@H]1C ZINC000095661460 GE Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@@H]1C ZINC000095661794 GE Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@@H]1C ZINC000095661879 GE Annotated Anodyne CCC(=O)N(C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C#C[C@@H](C)O)cc1)C1CCCCC1 ZINC000095661930 GE Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)CC2CC2)CC1 ZINC000095661935 GE Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095661957 GE Annotated Anodyne CC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN(C)C2=O ZINC000095661985 GE Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@H]1C ZINC000095662000 GE Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@H]1C ZINC000095662073 GE Annotated Clean CC(=O)N(C)C[C@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N(C)C[C@@H]1C ZINC000095662093 GE Annotated Anodyne CC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN(C)C2=O ZINC000095662123 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(C(=O)C2CCC2)C1 ZINC000095662128 GE Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC(C)C)C[C@H]23)cc1 ZINC000095662214 GE Annotated Mild O=C(N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095662250 GE Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095662381 GE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(C(=O)c2ccccc2)C1 ZINC000095662416 GE Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@H]1C ZINC000095662502 GE Annotated Anodyne CCNC[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CO)N1S(C)(=O)=O ZINC000095662527 GE Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@H]1C ZINC000095662602 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095662722 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(C(=O)c2ccccc2)C1 ZINC000095662792 GE Annotated Anodyne CC(C)CN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C(=O)C1CC1 ZINC000095662953 GE Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC(C)C)C[C@H]23)cc1 ZINC000095662975 GE Annotated Mild CCNC[C@@H]1[C@@H](c2ccc(C#Cc3ccccn3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095663000 GE Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC(C)C)C[C@@H]23)cc1 ZINC000095663012 GE Annotated Mild CC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)NC(C)C)[C@H](C)CN(C)C2=O ZINC000095663569 GE Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@@H]1C ZINC000095663663 GE Annotated Clean CC(C)NC(=O)N(C)C[C@@H]1Oc2c(cccc2N(C)C)C(=O)N(C)C[C@@H]1C ZINC000095663838 GE Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)NC(C)C)C[C@@H]23)cc1 ZINC000095664051 GE Annotated Mild O=S(=O)(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095664217 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(S(C)(=O)=O)[C@H]2CNCC2CCC2)cc1 ZINC000095664293 GE Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)NC(C)C)CC(=O)N3[C@H]2CO)cc1 ZINC000095664512 GE Annotated Mild CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 ZINC000095664533 GE Annotated Anodyne CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@H]1CO ZINC000095664694 GE Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NC(C)C)CC(=O)N3[C@H]2CO)cc1 ZINC000095664700 GE Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC(C)C)C[C@@H]23)cc1 ZINC000095665107 GE Annotated Mild CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N(C)C[C@H]1C ZINC000095665114 GE Annotated Clean COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(C)C1 ZINC000095666525 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(C)C1 ZINC000095666526 GE Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N(C(C)=O)C34CN(C(C)=O)C4)cc2)c1 ZINC000095666798 GE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095666806 GE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095666809 GE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095666811 GE Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@H](CO)N2C(C)=O ZINC000095666854 GE Annotated Mild CCC(=O)N1CC2(C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@H](CO)N2C(=O)COC ZINC000095666926 GE Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H](CO)N(C(C)=O)C23CN(C(C)=O)C3)cc1 ZINC000095666971 GE Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)C23CN(C(C)=O)C3)cc1 ZINC000095666976 GE Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H](CO)N(C(C)=O)C23CN(C(C)=O)C3)cc1 ZINC000095666980 GE Annotated Anodyne CC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3ccc(C#N)cc3)cc2)[C@@H](CO)N1C(C)=O ZINC000095666986 GE Annotated Mild CC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3cccc(C#N)c3)cc2)[C@@H](CO)N1C(C)=O ZINC000095666995 GE Annotated Mild CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2 ZINC000095667101 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@@H]2CN(C(C)=O)C(C)C)cc1 ZINC000095667115 GE Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095667166 GE Annotated Mild CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095667171 GE Annotated Mild CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccncc3)cc2)[C@@H]1CNC(=O)CC1CC1 ZINC000095667226 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C(=O)COC)C(C)C)cc1 ZINC000095667230 GE Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)C2CCC2)cc1 ZINC000095667235 GE Annotated Mild O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095667291 GE Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)CC1CC1 ZINC000095667309 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095667376 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095667415 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095667419 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095667423 GE Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(C)=O ZINC000095667735 GE Annotated Mild O=S(=O)(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CC1 ZINC000095667799 GE Annotated Anodyne CCCN1[C@H](CO)[C@H](c2ccc(C#CC(C)C)cc2)[C@@H]1CN(C)S(C)(=O)=O ZINC000095667921 GE Annotated Mild CC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3cccc(C#N)c3)cc2)[C@H](CO)N1C(C)=O ZINC000095668052 GE Annotated Mild CC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C1CCCC1 ZINC000095668074 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@@H]2CNC(=O)NC(C)C)cc1 ZINC000095668107 GE Annotated Anodyne CCC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O ZINC000095668112 GE Annotated Anodyne CN(C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)C(=O)c1ccncc1 ZINC000095668255 GE Annotated Anodyne O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 ZINC000095668357 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)C12CN(C(=O)COC)C2 ZINC000095668582 GE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)C12CN(C(=O)COC)C2 ZINC000095668587 GE Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095668599 GE Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095668603 GE Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095668608 GE Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H](CO)N(C(C)=O)C34CN(C(C)=O)C4)cc2)c1 ZINC000095668620 GE Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N(C(C)=O)C34CN(C(C)=O)C4)cc2)c1 ZINC000095668624 GE Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N(C(C)=O)C34CN(C(C)=O)C4)cc2)c1 ZINC000095668627 GE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095675276 GE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095675277 GE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095675278 GE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095675279 GE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095675280 GE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095675281 GE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095675282 GE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095675283 GE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)nn1 ZINC000095675292 GE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)nn1 ZINC000095675293 GE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)nn1 ZINC000095675294 GE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)nn1 ZINC000095675295 GE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)nn1 ZINC000095675296 GE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)nn1 ZINC000095675297 GE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)nn1 ZINC000095675298 GE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)nn1 ZINC000095675299 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675428 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095675429 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675430 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095675431 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675432 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095675433 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095675434 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095675435 GE Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095677583 GE Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095677584 GE Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095677585 GE Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095677586 GE Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095677587 GE Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095677588 GE Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095677590 GE Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095677592 GE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095679876 GE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095679877 GE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095679878 GE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095679879 GE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095679880 GE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095679881 GE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095679882 GE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095679883 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688584 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688585 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688586 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688587 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688588 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688589 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688590 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO2 ZINC000095688778 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO2 ZINC000095688779 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO2 ZINC000095688780 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO2 ZINC000095688781 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO2 ZINC000095688782 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO2 ZINC000095688783 GE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@H](C)CO2 ZINC000095688784 GE Annotated Anodyne CNC[C@@H]1Oc2ncc(C#CC3CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699503 GE Annotated Mild CNC[C@H]1Oc2ncc(C#CC3CCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699504 GE Annotated Mild CNC[C@H]1Oc2ncc(C#CC3CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699505 GE Annotated Mild CCCN(C)C[C@@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095702083 GE Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095702084 GE Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095702085 GE Annotated Mild CCCN(C)C[C@@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095702086 GE Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095702087 GE Annotated Mild CCCN(C)C[C@@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095702088 GE Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095702089 GE Annotated Mild CNC[C@@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095709564 GE Annotated Anodyne CNC[C@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095709566 GE Annotated Anodyne CNC[C@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095709568 GE Annotated Anodyne CNC[C@@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095709570 GE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711443 GE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711445 GE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711447 GE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711449 GE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711451 GE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711453 GE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095711455 GE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095711457 GE Annotated Anodyne CNC[C@H]1Oc2ncc(C#CCC3CCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095727120 GE Annotated Mild CNC[C@H]1Oc2ncc(C#CCC3CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095727122 GE Annotated Mild CNC[C@@H]1Oc2ncc(C#CCC3CCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095727124 GE Annotated Mild CNC[C@@H]1Oc2ncc(C#CCC3CCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095727127 GE Annotated Mild CNC[C@H]1Oc2ncc(-c3ccc(C#N)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095727589 GE Annotated Mild CNC[C@@H]1Oc2ncc(-c3ccc(C#N)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095727593 GE Annotated Mild CNC[C@H]1Oc2ncc(C#CC3CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095733178 GE Annotated Mild CNC[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095733367 GE Annotated Anodyne CNC[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095733479 GE Annotated Anodyne CNC[C@@H]1Oc2ncc(C#CC3CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095733511 GE Annotated Mild CNC[C@@H]1Oc2ncc(C#CC3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095733652 GE Annotated Mild CNC[C@H]1Oc2ncc(C#CC3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095733681 GE Annotated Mild O=S(=O)(N(c1cc(Cl)ccn1)S(=O)(=O)C(F)(F)F)C(F)(F)F ZINC000095742304 GE Annotated Anodyne O=S(=O)(N(c1cccc(Cl)n1)S(=O)(=O)C(F)(F)F)C(F)(F)F ZINC000095742305 GE Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2ncc(/C=C3\SC(=N)NC3=O)s2)cc1 ZINC000095755626 GE Annotated Anodyne COC(=O)C1=C2C(I)=NN=C2C=C(Br)C1 ZINC000095775039 GE Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(C)CC2)=C[C@H](c2ccccc2)[C@H]1CCCO ZINC000095783789 GE Annotated Anodyne COc1ccc(COC[C@@]23Oc4ccccc4[C@@H](NC(=O)N2C)[C@H]3CO)cc1 ZINC000095783856 GE Annotated Anodyne COC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)Nc2ccccc2)nn1 ZINC000095783902 GE Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)N3CCOCC3)O[C@@H](OCCCCO)C2)cc1 ZINC000095783986 GE Annotated Mild CCCS(=O)(=O)OCCCCCCNCCCOS(=O)(=O)CCC ZINC000095785104 GE Annotated Mild O=C1[C@H]2C=C(I)[C@H](C[C@@H]2OCCCCCCO)[C@@]12CO2 ZINC000095785157 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(C)C1 ZINC000095793703 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(C)C1 ZINC000095793719 GE Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095793934 GE Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 ZINC000095793935 GE Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095793936 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095793940 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095794021 GE Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095794022 GE Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095794023 GE Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095794024 GE Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095794025 GE Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)CC1CC1 ZINC000095794030 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(Cc3cncnc3)C23CN(C(=O)CC)C3)cc1 ZINC000095794035 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3cncnc3)C23CN(C(=O)CC)C3)cc1 ZINC000095794036 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095794056 GE Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(C)=O ZINC000095794083 GE Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095794085 GE Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CNC(=O)C1CCC1 ZINC000095794107 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095794118 GE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095794119 GE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095794122 GE Annotated Anodyne OC[C@H]1[C@@H](c2ccccc2)C2(CN(CCC(F)(F)F)C2)N1Cc1cncnc1 ZINC000095794124 GE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095794130 GE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095794131 GE Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 ZINC000095794138 GE Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095794140 GE Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095794142 GE Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(C)=O ZINC000095794145 GE Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095794147 GE Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095794148 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095794164 GE Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N(C(C)=O)C23CN(C(C)=O)C3)cc1 ZINC000095794182 GE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095794191 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095794213 GE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095794215 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095794216 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccnc1 ZINC000095794218 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095794240 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccnc1 ZINC000095794257 GE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095794273 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 ZINC000095794317 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095794319 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 ZINC000095794321 GE Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095794349 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@@H]2CN(CCC)C(C)=O)cc1 ZINC000095794419 GE Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccnc1 ZINC000095794437 GE Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccnc1 ZINC000095794439 GE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095794478 GE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095794481 GE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095794485 GE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095794486 GE Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2 ZINC000095794562 GE Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2 ZINC000095794564 GE Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095794634 GE Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095794635 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)c2ccncc2)C3)cc1 ZINC000095794652 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)C23CN(C(=O)c2ccncc2)C3)cc1 ZINC000095794653 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)C23CN(C(=O)c2ccncc2)C3)cc1 ZINC000095794655 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)c2ccncc2)C3)cc1 ZINC000095794656 GE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095794667 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)NC1CCCC1 ZINC000095794670 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)NC1CCCC1 ZINC000095794671 GE Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095794678 GE Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095794680 GE Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095794681 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3cncnc3)C23CN(C(C)=O)C3)cc1 ZINC000095794726 GE Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccncc1)C2 ZINC000095794763 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(Cc3cncnc3)C23CN(C(C)=O)C3)cc1 ZINC000095794861 GE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095794871 GE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095794894 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000095794939 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H]2CO ZINC000095794940 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095794941 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095794942 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095794943 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000095794944 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H]2CO ZINC000095794984 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095794985 GE Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1C#N ZINC000095795545 GE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095795675 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)CC2CC2)CC1 ZINC000095795970 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)c2ccccc2)C1 ZINC000095796054 GE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(C(=O)c2ccccc2)C1 ZINC000095796080 GE Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796121 GE Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H](CO)N2C(=O)COC ZINC000095796280 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095796400 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095796401 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095796402 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095796445 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(C(=O)C2CCC2)C1 ZINC000095796583 GE Annotated Anodyne OC[C@H]1[C@@H](c2ccccc2)C2(CN(Cc3ccccn3)C2)N1Cc1cncnc1 ZINC000095796601 GE Annotated Anodyne OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3ccccn3)C2)N1Cc1cncnc1 ZINC000095796636 GE Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2 ZINC000095796804 GE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095796893 GE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095797003 GE Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095797143 GE Annotated Anodyne COCC#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)NC3CCCCC3)[C@@H]2CO)cc1 ZINC000095797184 GE Annotated Mild O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095797318 GE Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095797319 GE Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095797320 GE Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095797321 GE Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095797322 GE Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095797356 GE Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095797357 GE Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095797358 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797378 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095797379 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797380 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797381 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797382 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095797403 GE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797404 GE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797410 GE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797440 GE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095797441 GE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095797442 GE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797443 GE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797444 GE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797445 GE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797446 GE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095797460 GE Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095797461 GE Annotated Anodyne O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cncnc1 ZINC000095797468 GE Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095797494 GE Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095797495 GE Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095797496 GE Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095797497 GE Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095797498 GE Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095797499 GE Annotated Anodyne COc1ccccc1-c1ccccc1[C@H]1[C@@H](CO)N(C(=O)CN(C)C)[C@H]1C#N ZINC000095797694 GE Annotated Mild O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095797750 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095797756 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797800 GE Annotated Mild CCS(=O)(=O)NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCCC1 ZINC000095798286 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1nccs1 ZINC000095798366 GE Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095798374 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095798420 GE Annotated Anodyne COc1ccccc1-c1ccccc1[C@@H]1[C@@H](CO)N(C(=O)CN(C)C)[C@H]1C#N ZINC000095798439 GE Annotated Mild CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095798462 GE Annotated Anodyne O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cncnc1 ZINC000095798489 GE Annotated Anodyne CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCCC(=O)NO)CCCC1 ZINC000095808317 GE Annotated Reactive O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc[n+]([O-])cc1 ZINC000095808866 GE Annotated Reactive CC(C)(C)OC(=O)NC1(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)CCCC1 ZINC000095808976 GE Annotated Reactive CC(C)(C)OC(=O)NC1(/C=N/NC(=O)c2cccc(C(=O)NO)c2)CCCC1 ZINC000095808987 GE Annotated Reactive O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1 ZINC000095864472 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1 ZINC000095864473 GE Annotated Anodyne CCCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095864531 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CN(C)C1 ZINC000095864702 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(C)C1 ZINC000095864707 GE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CN(C)C1 ZINC000095865047 GE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(C)C1 ZINC000095865087 GE Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(C(C)=O)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865525 GE Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(C(C)=O)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865526 GE Annotated Anodyne CCC(=O)N1CC2(CCN(C(C)=O)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865527 GE Annotated Anodyne CCC(=O)N1CC2(CCN(C(C)=O)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865528 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(C)CC1 ZINC000095865851 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(C)CC1 ZINC000095865852 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(C)=O)C1 ZINC000095865853 GE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(C)=O)C1 ZINC000095865854 GE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(C)CC1 ZINC000095865930 GE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(C)CC1 ZINC000095865931 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(=O)COC ZINC000095866469 GE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1CC1CCCC1 ZINC000095866525 GE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095866716 GE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095866718 GE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1CC1CCCC1 ZINC000095866749 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095866766 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095866767 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095866768 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095866769 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095866770 GE Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095866861 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095866869 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095866951 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095866952 GE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095866953 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095866989 GE Annotated Anodyne COC(=O)c1cn(C[C@@H](Cc2ccccc2)NC(=O)Nc2ccccc2)nn1 ZINC000095867197 GE Annotated Anodyne N#C[C@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095867916 GE Annotated Mild N#C[C@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095867919 GE Annotated Mild N#C[C@H]1[C@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095867921 GE Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095867923 GE Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095867925 GE Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095867927 GE Annotated Mild N#C[C@H]1[C@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095867928 GE Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095867932 GE Annotated Mild CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@H]1CNC(=O)C1CCC1 ZINC000095867980 GE Annotated Anodyne COc1ccccc1-c1ccccc1[C@@H]1[C@@H](C#N)N(C(=O)CN(C)C)[C@@H]1CO ZINC000095869233 GE Annotated Mild O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cncnc1 ZINC000095869369 GE Annotated Anodyne O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095869392 GE Annotated Anodyne COc1ccccc1-c1ccccc1[C@@H]1[C@@H](C#N)N(C(=O)CN(C)C)[C@H]1CO ZINC000095869472 GE Annotated Mild CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095869474 GE Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095869506 GE Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095869563 GE Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095869564 GE Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095869565 GE Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095869591 GE Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095869592 GE Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095869593 GE Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095869594 GE Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095869595 GE Annotated Anodyne COc1ccccc1-c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)CN(C)C)[C@@H]1CO ZINC000095871657 GE Annotated Mild COc1ccccc1-c1ccccc1[C@@H]1[C@H](C#N)N(C(=O)CN(C)C)[C@H]1CO ZINC000095871659 GE Annotated Mild COc1ccccc1-c1ccccc1[C@H]1[C@H](C#N)N(C(=O)CN(C)C)[C@H]1CO ZINC000095871661 GE Annotated Mild COc1ccccc1-c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)CN(C)C)[C@H]1CO ZINC000095871663 GE Annotated Mild CC(=O)NC[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(C)=O ZINC000095871675 GE Annotated Mild COCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(C#N)c2)cc1)C(C)=O ZINC000095871684 GE Annotated Mild O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C1CCCCC1 ZINC000095871688 GE Annotated Anodyne CCS(=O)(=O)N(C)C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2F)cc1 ZINC000095871716 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(=O)(=O)CC)[C@H]2CN(C)C(=O)CC)cc1 ZINC000095871718 GE Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)NC(C)C)[C@H]2CNC(C)=O)cc1 ZINC000095871792 GE Annotated Mild CC(=O)N(C)C[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095871795 GE Annotated Anodyne CNC[C@@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095871802 GE Annotated Anodyne O=C(CC1CC1)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(Cc1ccncc1)C2 ZINC000095871809 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095871820 GE Annotated Anodyne CN(Cc1ccccc1F)C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O ZINC000095871846 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@H]2CN(CCC)C(C)=O)cc1 ZINC000095871865 GE Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)C2CCC2)cc1 ZINC000095871880 GE Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(=O)(=O)CC)[C@@H]2CN(C)C(=O)CC)cc1 ZINC000095871890 GE Annotated Anodyne CC(C)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)CN(C)C ZINC000095871907 GE Annotated Anodyne CCS(=O)(=O)N(C)C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1 ZINC000095871909 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccncc3)cc2)[C@@H]1CN(C)C(C)=O ZINC000095871938 GE Annotated Anodyne O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095871954 GE Annotated Anodyne CC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095871972 GE Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)NC(C)C)[C@@H]2CNC(C)=O)cc1 ZINC000095871985 GE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C)C(=O)C2CC2)cc1 ZINC000095872016 GE Annotated Mild CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2 ZINC000095872031 GE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095872066 GE Annotated Anodyne CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095872068 GE Annotated Mild CCS(=O)(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCCC1 ZINC000095872071 GE Annotated Anodyne CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 ZINC000095873378 GE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 ZINC000095873379 GE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(CC4CC4)CCCCN3[C@H]2CO)cc1 ZINC000095873380 GE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1 ZINC000095873381 GE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 ZINC000095873382 GE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(CC4CC4)CCCCN3[C@H]2CO)cc1 ZINC000095873383 GE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 ZINC000095873384 GE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1 ZINC000095873385 GE Annotated Mild CS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095874368 GE Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095874369 GE Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095874370 GE Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095874371 GE Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095874372 GE Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095875098 GE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(S(C)(=O)=O)CCCCN3[C@H]2CO)cc1 ZINC000095875099 GE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095875100 GE Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(S(C)(=O)=O)CCCCN3[C@H]2CO)cc1 ZINC000095875101 GE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095875102 GE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@H]23)cc1 ZINC000095875103 GE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@H]23)cc1 ZINC000095875104 GE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095875105 GE Annotated Mild CCO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@@H]6[C@H]53 ZINC000095876292 GE Annotated Anodyne COCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095877818 GE Annotated Mild COCC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095877819 GE Annotated Mild COCC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3)ccc1N[C@H]2CO ZINC000095877820 GE Annotated Mild COCC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@H]21 ZINC000095877821 GE Annotated Mild CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095878962 GE Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095878963 GE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095879261 GE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095879262 GE Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC ZINC000095879379 GE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC ZINC000095879380 GE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO ZINC000095879391 GE Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC ZINC000095879392 GE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1CC ZINC000095879687 GE Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1CC ZINC000095879688 GE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC ZINC000095880196 GE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO ZINC000095880197 GE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000095880267 GE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC ZINC000095880268 GE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095880271 GE Annotated Anodyne CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095880272 GE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1CCC ZINC000095880817 GE Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1CCC ZINC000095880818 GE Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2)N1CCCCC1 ZINC000095881150 GE Annotated Anodyne O=C([C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCCC2)c3=O)[C@@H]1CO)N1CCCCC1 ZINC000095881151 GE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095881270 GE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC1CC1 ZINC000095881271 GE Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095881302 GE Annotated Anodyne CN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095881303 GE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCC1CC1 ZINC000095885623 GE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCC1CC1 ZINC000095885624 GE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCC1CC1 ZINC000095885625 GE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCC1CC1 ZINC000095885626 GE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCC1CC1 ZINC000095885627 GE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCC1CC1 ZINC000095885628 GE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCC1CC1 ZINC000095885629 GE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCC1CC1 ZINC000095885630 GE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1 ZINC000095886483 GE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1 ZINC000095886484 GE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1 ZINC000095886485 GE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095886486 GE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095886487 GE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095886488 GE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095888585 GE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095888586 GE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095888587 GE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095888588 GE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095888589 GE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095888590 GE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095888591 GE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095888592 GE Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095891906 GE Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095891907 GE Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095891908 GE Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095891909 GE Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095891910 GE Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095891911 GE Annotated Anodyne CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095891912 GE Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095893278 GE Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095893279 GE Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095893280 GE Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095893281 GE Annotated Anodyne O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893495 GE Annotated Anodyne O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893496 GE Annotated Anodyne O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893497 GE Annotated Anodyne O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893498 GE Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3ccccc3F)C[C@H]21 ZINC000095893590 GE Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3F)C[C@@H]21 ZINC000095893591 GE Annotated Anodyne COCC(=O)N1[C@@H]2CN(C(=O)Nc3ccccc3F)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893592 GE Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3F)C[C@@H]21 ZINC000095893593 GE Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F ZINC000095893810 GE Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F ZINC000095893811 GE Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F ZINC000095893812 GE Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F ZINC000095893813 GE Annotated Anodyne CCC(=O)N1[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893934 GE Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F ZINC000095893939 GE Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F ZINC000095893940 GE Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F ZINC000095893941 GE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000095893995 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccc4c(c3)OCO4)C[C@H]21 ZINC000095893997 GE Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F ZINC000095894007 GE Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 ZINC000095894011 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000095894085 GE Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095894087 GE Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095894155 GE Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 ZINC000095894157 GE Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(C)=O ZINC000095894614 GE Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(C)=O ZINC000095894615 GE Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(C)=O ZINC000095894616 GE Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(C)=O ZINC000095894617 GE Annotated Anodyne O=C(c1cnccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 ZINC000095894772 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095894825 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095894826 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NCCC)[C@@H]2CNC(=O)C2CC2)cc1 ZINC000095894827 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)NCCC)[C@@H]2CNC(=O)C2CC2)cc1 ZINC000095894828 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095894829 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)NCCC)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095894830 GE Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccncc1 ZINC000095894832 GE Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C)C(=O)c1ccncc1 ZINC000095894833 GE Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccncc1 ZINC000095894834 GE Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095894908 GE Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095894909 GE Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095894910 GE Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095894911 GE Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095894912 GE Annotated Anodyne CC(=O)NC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095894913 GE Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095894914 GE Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000095894972 GE Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C)C(=O)c1cccnc1 ZINC000095894973 GE Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1cccnc1 ZINC000095894974 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1CNC(=O)COC ZINC000095894987 GE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)COC ZINC000095894988 GE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)COC ZINC000095894989 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)COC ZINC000095894990 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CNC(=O)COC ZINC000095894991 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CNC(C)=O)N(C(=O)Cc3cccnc3)[C@H]2CO)cc1 ZINC000095895012 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(C)=O)N(C(=O)Cc3cccnc3)[C@H]2CO)cc1 ZINC000095895013 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N[C@H]2CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000095895050 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CN(C)S(=O)(=O)c3ccccc3)N[C@H]2CO)cc1 ZINC000095895051 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N[C@@H]2CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000095895052 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)Cc3ccncc3)[C@H]2CNC(C)=O)cc1 ZINC000095895061 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)Cc3ccncc3)[C@@H]2CNC(C)=O)cc1 ZINC000095895062 GE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CN(C)C(C)=O ZINC000095895064 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)c3ccncc3)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895067 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)c3ccncc3)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895068 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)c3ccccn3)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895108 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)c2ccncc2)cc1 ZINC000095895136 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)c2ccncc2)cc1 ZINC000095895137 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)[C@H]2CNC(=O)c2ccncc2)cc1 ZINC000095895138 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)c2ccncc2)cc1 ZINC000095895139 GE Annotated Anodyne COCCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(C)=O ZINC000095895144 GE Annotated Anodyne COCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(C)=O ZINC000095895145 GE Annotated Anodyne COCCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(C)=O ZINC000095895146 GE Annotated Anodyne COCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(C)=O ZINC000095895147 GE Annotated Anodyne CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)COC ZINC000095895151 GE Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)COC ZINC000095895152 GE Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)COC ZINC000095895153 GE Annotated Anodyne CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)COC ZINC000095895154 GE Annotated Anodyne CCN(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)COC ZINC000095895155 GE Annotated Anodyne CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)CN(C)C ZINC000095895168 GE Annotated Anodyne CC(C)NC(=O)N1[C@H](CN(C)C(=O)c2cccnc2)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095895169 GE Annotated Anodyne COCC(=O)N(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)C ZINC000095895189 GE Annotated Anodyne COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)C ZINC000095895190 GE Annotated Anodyne COCC(=O)N(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)C ZINC000095895191 GE Annotated Anodyne COCC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)C ZINC000095895192 GE Annotated Anodyne COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)C ZINC000095895193 GE Annotated Anodyne COCC(=O)N(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)C ZINC000095895194 GE Annotated Anodyne COCCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1ccccc1 ZINC000095895313 GE Annotated Anodyne COCCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1ccccc1 ZINC000095895314 GE Annotated Anodyne CC(C)NC(=O)N1[C@H](CN(C)C(=O)c2ccncc2)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095895316 GE Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)c1ccccc1 ZINC000095895325 GE Annotated Anodyne CCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccc1 ZINC000095895326 GE Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CNC(=O)c1ccccc1 ZINC000095895327 GE Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccc1 ZINC000095895328 GE Annotated Anodyne CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccc1 ZINC000095895329 GE Annotated Anodyne CCCNC(=O)N1[C@H](CNC(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095895330 GE Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccc1 ZINC000095895331 GE Annotated Anodyne CCCNC(=O)N1[C@H](CNC(=O)c2ccccc2)[C@H](c2ccccc2)[C@@H]1CO ZINC000095895332 GE Annotated Anodyne CCC(=O)N1[C@H](CN(C)C(C)=O)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO ZINC000095895356 GE Annotated Anodyne CCC(=O)N1[C@H](CN(C)C(C)=O)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO ZINC000095895357 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(C)=O)N(C(=O)Cc3ccncc3)[C@H]2CO)cc1 ZINC000095895412 GE Annotated Anodyne CCC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O ZINC000095895541 GE Annotated Anodyne CCC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895542 GE Annotated Anodyne CCC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O ZINC000095895543 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@H]2CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000095895557 GE Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccc(C#N)c2)cc1)C(=O)COC ZINC000095895593 GE Annotated Mild CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccc(C#N)c2)cc1)C(=O)COC ZINC000095895594 GE Annotated Mild CCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccc(C#N)c2)cc1)C(=O)COC ZINC000095895595 GE Annotated Mild CCN(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccc(C#N)c2)cc1)C(=O)COC ZINC000095895596 GE Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)C3CC3)N(C(=O)NCCC)[C@H]2CO)cc1 ZINC000095895610 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)C3CC3)N(C(=O)NCCC)[C@H]2CO)cc1 ZINC000095895611 GE Annotated Anodyne COCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)=O ZINC000095895636 GE Annotated Anodyne COCCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)=O ZINC000095895637 GE Annotated Anodyne COCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)=O ZINC000095895638 GE Annotated Anodyne COCCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(C)=O ZINC000095895639 GE Annotated Anodyne CCC(=O)N1[C@H](CNC(=O)COC)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000095895663 GE Annotated Anodyne CCC(=O)N1[C@H](CNC(=O)COC)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000095895664 GE Annotated Anodyne CC(C)NC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccccc1 ZINC000095895673 GE Annotated Anodyne CC(C)NC(=O)NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1 ZINC000095895674 GE Annotated Anodyne CC(C)NC(=O)NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1 ZINC000095895675 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@@H]2CN(CC)C(=O)CC)cc1 ZINC000095895686 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(S(C)(=O)=O)[C@H]2CN(CC)C(=O)CC)cc1 ZINC000095895687 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(=O)CC)N(S(C)(=O)=O)[C@H]2CO)cc1 ZINC000095895688 GE Annotated Anodyne CC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095895717 GE Annotated Anodyne CC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095895718 GE Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(C)=O ZINC000095895724 GE Annotated Anodyne COCC(=O)N(C)C[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895725 GE Annotated Anodyne COCC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](CO)N1C(C)=O ZINC000095895726 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(C(=O)COC)C(C)C)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895727 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)[C@H]2CN(C(=O)COC)C(C)C)cc1 ZINC000095895728 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(C(=O)COC)C(C)C)cc1 ZINC000095895729 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C(=O)COC)C(C)C)cc1 ZINC000095895730 GE Annotated Anodyne CCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC ZINC000095895735 GE Annotated Anodyne CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC ZINC000095895736 GE Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC ZINC000095895737 GE Annotated Anodyne CCN(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC ZINC000095895738 GE Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC ZINC000095895739 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)Cc3cccnc3)[C@@H]2CNC(C)=O)cc1 ZINC000095895785 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)Cc3cccnc3)[C@H]2CNC(C)=O)cc1 ZINC000095895786 GE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)Cc3cccnc3)[C@H]2CNC(C)=O)cc1 ZINC000095895787 GE Annotated Anodyne CN(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)C(=O)c1ccccn1 ZINC000095895860 GE Annotated Anodyne CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)C(=O)c1ccccn1 ZINC000095895861 GE Annotated Anodyne CN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)C(=O)c1ccccn1 ZINC000095895862 GE Annotated Anodyne CN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)C(=O)c1ccccn1 ZINC000095895863 GE Annotated Anodyne COCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095895875 GE Annotated Anodyne COCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095895876 GE Annotated Anodyne COCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095895877 GE Annotated Anodyne COCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095895878 GE Annotated Anodyne COCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095895879 GE Annotated Anodyne COCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095895880 GE Annotated Anodyne COCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095895881 GE Annotated Anodyne COCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095895882 GE Annotated Anodyne CC(=O)N(C)C[C@@H]1[C@@H](c2ccc(-c3cccc(C#N)c3)cc2)[C@H](CO)N1C(C)=O ZINC000095895891 GE Annotated Mild CC(=O)N(C)C[C@H]1[C@H](c2ccc(-c3cccc(C#N)c3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895892 GE Annotated Mild CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(F)c2)cc1)C(=O)CN(C)C ZINC000095895914 GE Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O ZINC000095895922 GE Annotated Anodyne CCN(C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O ZINC000095895923 GE Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O)C(C)=O ZINC000095895924 GE Annotated Anodyne CCN(C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(C)=O)C(C)=O ZINC000095895925 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CNC(=O)NC(C)C)cc1 ZINC000095895929 GE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)NC(C)C)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095895930 GE Annotated Anodyne O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1cccnc1)c1ccccn1 ZINC000095895954 GE Annotated Anodyne O=C(NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1)c1ccccn1 ZINC000095895955 GE Annotated Anodyne O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1)c1ccccn1 ZINC000095895956 GE Annotated Anodyne O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1)c1ccccn1 ZINC000095895957 GE Annotated Anodyne O=C(NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1Cc1cccnc1)c1ccccn1 ZINC000095895958 GE Annotated Anodyne O=C(NC[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1Cc1cccnc1)c1ccccn1 ZINC000095895959 GE Annotated Anodyne CCNC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CO)N1S(C)(=O)=O ZINC000095895970 GE Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095896159 GE Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095896160 GE Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095896161 GE Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095896162 GE Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095896163 GE Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095897427 GE Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CC3CC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095897428 GE Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3CC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095897429 GE Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3CC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095897430 GE Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095897431 GE Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095897432 GE Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1C#N ZINC000095897441 GE Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897442 GE Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897443 GE Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897444 GE Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897445 GE Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@H]1CO ZINC000095897446 GE Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3ccncc3)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095897490 GE Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)CN(C)C)[C@@H]3CO)cc2)cc1 ZINC000095897717 GE Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)CN(C)C)[C@H]3C#N)cc2)cc1 ZINC000095897718 GE Annotated Mild N#C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897809 GE Annotated Mild N#C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897810 GE Annotated Mild N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897811 GE Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897812 GE Annotated Mild N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897813 GE Annotated Mild N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897814 GE Annotated Mild N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897815 GE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]1CO ZINC000095897923 GE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]1CO ZINC000095897924 GE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]1CO ZINC000095897925 GE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]1CO ZINC000095897926 GE Annotated Mild COCC(=O)N1[C@H](CO)[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]1C#N ZINC000095897927 GE Annotated Mild COCC(=O)N1[C@H](CO)[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]1C#N ZINC000095897928 GE Annotated Mild COCC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]1CO ZINC000095897929 GE Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095897990 GE Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095897991 GE Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095897992 GE Annotated Mild N#C[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095897993 GE Annotated Mild CCS(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]1C#N ZINC000095898110 GE Annotated Mild CCS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]1CO ZINC000095898111 GE Annotated Mild CCS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]1CO ZINC000095898112 GE Annotated Mild CCS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H]1CO ZINC000095898113 GE Annotated Mild CCS(=O)(=O)N1[C@H](CO)[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H]1C#N ZINC000095898114 GE Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@@H](C#N)N(C(=O)CN(C)C)[C@H]2CO)cc1 ZINC000095898235 GE Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@@H](C#N)N(C(=O)CN(C)C)[C@H]2CO)cc1 ZINC000095898236 GE Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@@H](C#N)N(C(=O)CN(C)C)[C@@H]2CO)cc1 ZINC000095898237 GE Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N(C(=O)CN(C)C)[C@H]2C#N)cc1 ZINC000095898238 GE Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@H](C#N)N(C(=O)CN(C)C)[C@H]2CO)cc1 ZINC000095898239 GE Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@H](C#N)N(C(=O)CN(C)C)[C@H]2CO)cc1 ZINC000095898240 GE Annotated Mild O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899386 GE Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899387 GE Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899388 GE Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899389 GE Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899390 GE Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899391 GE Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899392 GE Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899393 GE Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@@H](CO)[C@H]1O2 ZINC000095899461 GE Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccc3)O[C@H](CO)[C@@H]1O2 ZINC000095899462 GE Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccccc3)O[C@@H](CO)[C@H]1O2 ZINC000095899463 GE Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@@H](CO)[C@@H]1O2 ZINC000095899464 GE Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccc3)O[C@H](CO)[C@H]1O2 ZINC000095899465 GE Annotated Clean CCCNC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095903197 GE Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095903199 GE Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095903201 GE Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095903202 GE Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095903203 GE Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095903204 GE Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO ZINC000095903205 GE Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO ZINC000095903206 GE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095903418 GE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095903421 GE Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095903423 GE Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095903425 GE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095903426 GE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095903427 GE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095903428 GE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095903429 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903901 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903903 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903905 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903906 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903907 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903908 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903909 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903910 GE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904258 GE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904260 GE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904262 GE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904264 GE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904266 GE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904267 GE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095904269 GE Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095904271 GE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095904414 GE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095904415 GE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095904416 GE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095904417 GE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095904418 GE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095904419 GE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCCC3)[C@H](CO)O2)nn1 ZINC000095904420 GE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095904421 GE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095904447 GE Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095904448 GE Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095904450 GE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095904452 GE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095904453 GE Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095904454 GE Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095904455 GE Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095904456 GE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906042 GE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906043 GE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906044 GE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906045 GE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906046 GE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906047 GE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906048 GE Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906049 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906436 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906437 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906438 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906439 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906440 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906441 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906442 GE Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906443 GE Annotated Anodyne COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(C[C@@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12C ZINC000095909386 GE Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=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 ZINC000095909471 GE Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(OC)O[C@H](O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C ZINC000095909473 GE Annotated Clean in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(OC)OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C ZINC000095909482 GE Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CC[C@H](O)C(C)(C)[C@H]1C[C@H]3O[C@@H]2OCC ZINC000095910153 GE Annotated Mild in-vitro biogenic C/C(=C\C=C\[C@@]1(C)OC(=O)[C@]23CC=C(C(=O)O)CC[C@@]2(O)[C@H]1CC3)C(=O)O ZINC000095910338 GE Annotated Anodyne in-vitro biogenic C=C1C(=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 ZINC000095911190 GE Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H](OCC)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000095911574 GE Annotated Mild in-vitro biogenic COC1=C(OC)[C@H]2C(=O)O[C@H]([C@H]3c4cc5c(cc4CCN3C)OCO5)[C@H]2C=C1 ZINC000095911934 GE Annotated Anodyne in-vitro biogenic CO[C@@H]1O[C@H](O)[C@@]23[C@H](CCC(C)(C)[C@@H]12)OC(=O)[C@@]12C[C@@H](CC[C@H]13)[C@@H](C)C2=O ZINC000095912374 GE Annotated Anodyne in-vitro biogenic CC(C)=CC[N+]12CCO[C@]13[C@@H]1OC(=O)[C@@H]([C@@H]1C(C)C)[C@]1(O)CC[C@H](C2)[C@@]13C ZINC000095912460 GE Annotated Bother in-vitro biogenic COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@@]5(c6cccc(OC)c6N[C@@]15O)[C@@H]43)C2 ZINC000095912646 GE Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)[C@@H](O)CCC(C)(C)[C@H]1COC(C)=O ZINC000095913316 GE Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(CO)[C@H](CCC(C)(C)[C@H]1COC(C)=O)OC3=O ZINC000095913317 GE Annotated Mild in-vitro biogenic CCO[C@H]1C2=C(C(=O)C(O)=C([C@@H](C)CO)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000095913326 GE Annotated Mild in-vitro biogenic COC(=O)[C@]12CC[C@]34CCCN5C[C@H](C(=O)C3)[C@@]1(c1cccc(OC)c1N2)[C@@H]54 ZINC000095913678 GE Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O[C@@H]2OCC ZINC000095914810 GE Annotated Mild in-vitro biogenic CO[C@@H]1C=C(CC[C@@]2(O)[C@H](C)C(=O)[C@@H](O)[C@H]3C(C)(C)CCC[C@@]32C)C(=O)O1 ZINC000095918653 GE Annotated Anodyne in-vitro biogenic C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)c(OC)cc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5C(=O)OC ZINC000095919388 GE Annotated Anodyne in-vitro biogenic N#Cc1cnc(-c2nc(CC(=O)N[C@H](C(=O)O)c3ccccc3)cs2)c(O)c1 ZINC000095920821 GE Annotated Mild NCCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1Cc1ccc2c(c1C(=O)O)OCO2 ZINC000095920906 GE Annotated Anodyne COC(=O)[C@H](C#N)Cc1c(-c2ccc(C)cc2)c2c(N)ncnc2n1/C=C/CO ZINC000095921125 GE Annotated Mild CC(=O)NC[C@@H]1CCN(c2c(Cl)cnc3nc(-c4cn(C)nc4C)[nH]c23)C1 ZINC000095921385 GE Annotated Anodyne Cc1c(-c2ccnc(/N=C3\C=CC(N4CCNCC4)=CC3)n2)sc(=O)n1C ZINC000095921426 GE Annotated Mild C[C@@H]1CCN(C2CC2)S(=O)(=O)c2ccc(N3CC[C@@H](N(C)C)C3)cc2O1 ZINC000096019140 GE Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2c(cccc2N2CC[C@H](N(C)C)C2)O1 ZINC000096019145 GE Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2c(cccc2N2CC[C@@H](N(C)C)C2)O1 ZINC000096019146 GE Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2ccc(N3CC[C@H](N(C)C)C3)cc2O1 ZINC000096019151 GE Annotated Anodyne O=C(NC1CCCC1)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096020314 GE Annotated Anodyne O=C(NC1CCCC1)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096020315 GE Annotated Anodyne Cc1ccc(CN2[C@H](C(=O)NC3CCCC3)CSCCS2(=O)=O)cc1 ZINC000096020328 GE Annotated Anodyne Cc1ccc(CN2[C@@H](C(=O)NC3CCCC3)CSCCS2(=O)=O)cc1 ZINC000096020329 GE Annotated Anodyne COc1ccc(OC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)CCO2)cc1 ZINC000096021253 GE Annotated Anodyne COc1ccc(OC[C@H]2CN(Cc3ccccc3)S(=O)(=O)CCO2)cc1 ZINC000096021254 GE Annotated Anodyne COc1ccc(C(C)(C)C)cc1N1C(=O)[C@@H]2CSCCS(=O)(=O)N2C1=O ZINC000096021283 GE Annotated Anodyne COC/C=C1\CN2[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@H]25 ZINC000096085800 GE Annotated Anodyne COc1cc(OC)c(OC)c2c1N=C1OC[C@@H]3[C@@H]4C[C@@]12[C@@H]1C[C@H]3/C(=C/CO)CN41 ZINC000096085801 GE Annotated Anodyne C=C1[C@H](O)[C@H](O)[C@]2(C[C@H]3C(C)=CC[C@H]4[C@](C)(C(=O)O)CCC[C@]34C)O[C@@H]2[C@@H]1O ZINC000096086368 GE Annotated Mild CC(C)C[C@@H]1NC(=O)[C@@H](S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000096142703 GE Annotated Anodyne O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2C2=CCOCC2)C1 ZINC000096168851 GE Annotated Anodyne C/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169109 GE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1 ZINC000096169146 GE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2nnc(C(C)(C)c3ccc4ncccc4c3)n2n1 ZINC000096169159 GE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](C)c3cc4cnn(C)c4cc3F)n2n1 ZINC000096169179 GE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@H](C)c3cc4cnn(C)c4cc3F)n2n1 ZINC000096169180 GE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](C)c3ccc4c(cnn4C)c3)n2n1 ZINC000096169183 GE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@H](C)c3ccc4c(cnn4C)c3)n2n1 ZINC000096169184 GE Annotated Reactive CC/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1 ZINC000096169190 GE Annotated Reactive COc1ccc(Cc2nc3c(C4=CCN(S(C)(=O)=O)CC4)cccn3n2)cc1 ZINC000096169560 GE Annotated Anodyne C/C(=N\OCCO)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1 ZINC000096170346 GE Annotated Mild C/C(=N\OCCO)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000096170360 GE Annotated Mild C/C(=N\OCCO)c1ccc2nnc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096170363 GE Annotated Mild C/C(=N\OCCO)c1ccc2nnc(Cc3ccc4ncccc4c3F)n2n1 ZINC000096170364 GE Annotated Mild C/C(=N\OCCO)c1ccc2nnc(C3(c4ccc5ncccc5c4)CC3)n2n1 ZINC000096170366 GE Annotated Mild O=C1CC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc(N2CCOCC2)cc1 ZINC000096172355 GE Annotated Clean Cc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccccc3)C2)nc(C2CC2)c1F ZINC000096173864 GE Annotated Anodyne CC1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CC[C@H]3OCC(=O)[C@H]32)CC1 ZINC000096174259 GE Annotated Anodyne COC(=O)[C@@H]1C[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CN1 ZINC000096175063 GE Annotated Anodyne Fc1c(C2=NCc3ccnc(OC4CCOCC4)c32)ccnc1N1CCOCC1 ZINC000096176000 GE Annotated Anodyne CC(C)Oc1nccc2c1C(c1ccnc(C(=O)N3C[C@@H]4C[C@H]3CO4)c1)=NC2 ZINC000096176088 GE Annotated Anodyne N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(CCO)n3)cc2)cc1 ZINC000096258205 GE Annotated Mild COC(=O)[C@@H](Cc1ccc(Cl)cc1)n1c(O)cc(=O)n(C2CCCC2)c1=O ZINC000096270098 GE Annotated Anodyne COC(=O)[C@H](Cc1ccc(Cl)cc1)n1c(O)cc(=O)n(C2CCCC2)c1=O ZINC000096270099 GE Annotated Anodyne Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C2(C)CC2)n1 ZINC000096272371 GE Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccco3)[C@H]4C2=O)cc1 ZINC000096286733 GE Annotated Anodyne C[C@H]1CO[C@]2(C)Oc3c(c(O)c(C(N)=O)c4c3C[C@@H]3[C@@H](C)CO[C@]3(C)O4)C[C@H]12 ZINC000096901211 GE Annotated Anodyne CCCc1nccn1[C@@H](CC(=O)OCC)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000096903064 GE Annotated Anodyne CCCc1nccn1[C@H](CC(=O)OCC)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000096903065 GE Annotated Anodyne CCCc1nccn1[C@@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000096903066 GE Annotated Anodyne CCCc1nccn1[C@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000096903067 GE Annotated Anodyne C[C@H](O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1 ZINC000096907355 GE Annotated Anodyne C[C@@H](O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1 ZINC000096907356 GE Annotated Anodyne CC(=O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1 ZINC000096907357 GE Annotated Anodyne CO/N=C(\N)c1ccc(-c2cccc(-c3ccc(/C(N)=N\OC)cn3)c2)nc1 ZINC000096908133 GE Annotated Mild CC(C)C(=O)O[C@H]1C=C2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4 ZINC000096908972 GE Annotated Anodyne CCOC(=O)O[C@H]1C=C2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4 ZINC000096909151 GE Annotated Anodyne COC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2[O-] ZINC000096911051 GE Annotated Anodyne CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1ccco1)c(C(F)F)[n+]2[O-] ZINC000096911064 GE Annotated Anodyne COC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1ccccc1)c(C(F)(F)F)[n+]2[O-] ZINC000096911075 GE Annotated Anodyne Nc1nc(C[C@@H](O)c2ccccc2C(F)(F)F)c(Br)c(=O)[nH]1 ZINC000096914685 GE Annotated Anodyne Nc1nc(C[C@H](O)c2ccccc2C(F)(F)F)c(Br)c(=O)[nH]1 ZINC000096914686 GE Annotated Anodyne O=C(CN1C(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000096917687 GE Annotated Anodyne COc1ccc(C(=O)c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2ccc(OC)cc2)cc1 ZINC000096921758 GE Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)[n+]([O-])cn1Cc1ccccc1 ZINC000096922807 GE Annotated Reactive Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[n+]([O-])cn1Cc1ccccc1 ZINC000096922810 GE Annotated Reactive O=C(O)CC1CCN(c2nc(-c3ccccc3)nc3c2CS(=O)(=O)C3)CC1 ZINC000096923876 GE Annotated Anodyne COc1ccc(OC)c([C@@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)c1 ZINC000096929458 GE Annotated Bother COc1ccc(OC)c([C@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)c1 ZINC000096929459 GE Annotated Bother Cn1nc(CC(=O)Nc2nc(-c3ccccc3O)cs2)c2ccccc2c1=O ZINC000096930083 GE Annotated Anodyne COc1cc(Cn2cc(C(=O)C(=O)c3ccccc3OC)nn2)cc(OC)c1 ZINC000096932328 GE Annotated Clean COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCCCN)cc(OC)c1C2=O ZINC000096932562 GE Annotated Clean COc1cc(-c2nc(S)n3c(S)nnc3c2C#N)cc(OC)c1OC ZINC000096932746 GE Annotated Mild CN(C)CCN(C)c1cc2c(cn1)C(=O)C(=O)c1c-2nc2ccc(Cl)cn12 ZINC000096933181 GE Annotated Clean [N-]=[N+]=N[C@H]1C[C@H](n2cnc3nc(N)nc(NCCc4ccccc4)c32)O[C@@H]1CO ZINC000096933219 GE Annotated Clean CC(C)=CCC[C@](C)(O)[C@H](O)CC[C@](C)(O)[C@@H]1CC2=C(CC[C@@H](O)C2=O)O1 ZINC000096933284 GE Annotated Mild C/C(=C\CC[C@](C)(O)[C@@H]1CC2=C(CC[C@@H](O)C2=O)O1)CC[C@@H](O)C(C)(C)O ZINC000096933285 GE Annotated Mild CCOC(=O)Cn1c(=O)c(N/N=C/c2ccc(N(C)C)cc2)nc2ccccc21 ZINC000096933305 GE Annotated Mild CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000096933743 GE Annotated Anodyne C=C1[C@@H](O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](O)CC[C@@](C)(OC(C)=O)[C@@H]2O1 ZINC000096937430 GE Annotated Mild C[C@@]12CC[C@H]3OCOC[C@@]3(C)[C@H]1CC[C@@]1(CO1)[C@H]2C/C=C1/C(=O)OC[C@H]1O ZINC000096938004 GE Annotated Anodyne CO/N=C(\N)c1ccc(-c2cncc(-c3ccc(/C(N)=N\OC)cc3)n2)cc1 ZINC000096938468 GE Annotated Mild O=C(OCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098082549 GE Annotated Bother Cc1nn(-c2ccc(-c3nnc(S)o3)cc2)c(=O)n1/N=C/c1cscn1 ZINC000098083101 GE Annotated Mild O=c1[nH]c(=O)n(OCCO)c(Sc2ccccc2)c1/C=C/c1ccccc1 ZINC000098083242 GE Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(CC(C)(C)Oc3ccc(OC(C)=O)cc32)S1 ZINC000098084193 GE Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@]2(CC(C)(C)Oc3ccc(OC(C)=O)cc32)S1 ZINC000098084194 GE Annotated Anodyne COc1ccc(-n2nnn(C/C(C#N)=C/c3ccc(OC)c(OC)c3)c2=O)cc1 ZINC000098084841 GE Annotated Reactive COC(=O)C1=C[C@@H]2C3=C(N4CCOCC4)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000098085283 GE Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(N4CCOCC4)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000098085284 GE Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(N4CCOCC4)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000098085285 GE Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(N4CCOCC4)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000098085286 GE Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OCCO)nc1C1CC1 ZINC000098208500 GE Annotated Anodyne O=C(CCC1CCNCC1)NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000098208709 GE Annotated Anodyne